nargs= 1 argi=dmft2.def 57) Finished k-point number 115 1 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 57) Finished k-point number 116 2 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 39) Finished k-point number 80 2 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 41) Finished k-point number 83 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 23) Finished k-point number 48 2 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 18) Finished k-point number 38 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 37) Finished k-point number 76 2 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 43) Finished k-point number 88 2 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 55) Finished k-point number 111 1 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 21) Finished k-point number 44 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 49) Finished k-point number 99 1 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 9) Finished k-point number 20 2 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 13) Finished k-point number 27 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 13) Finished k-point number 28 2 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 30) Finished k-point number 62 2 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 33) Finished k-point number 67 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 33) Finished k-point number 68 2 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 46) Finished k-point number 93 1 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.853024441919290 0.860691087171261 0.837101062825809 0) Finished k-point number 1 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 55) Finished k-point number 111 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 1) Finished k-point number 3 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 17) Finished k-point number 35 1 with #bands= 19 10) Finished k-point number 21 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 14) Finished k-point number 29 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 57) Finished k-point number 115 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 13) Finished k-point number 27 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 1) Finished k-point number 4 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 10) Finished k-point number 22 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 58) Finished k-point number 118 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 9) Finished k-point number 20 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 34) Finished k-point number 70 2 with #bands= 19 13) Finished k-point number 28 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 12) Finished k-point number 26 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 37) Finished k-point number 76 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 29) Finished k-point number 60 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 9.16223492856411 Density= 40.9114578697516 41.0000000000000 EF 9.43434876067769 Density= 41.0292375658969 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.69341191 0.67341191 0.292376E-01 -0.885421E-01 1 0.68844712 0.69341191 -0.193182E-02 0.292376E-01 2 0.68875483 0.69341191 -0.362566E-04 0.292376E-01 3 0.68876070 0.69341191 -0.459573E-08 0.292376E-01 4 0.68876071 0.69341191 -0.355271E-13 0.292376E-01 Absolute convergence of |F(X)|. Difference in EF too large to mix 0.208831027734959 cutoff= 2.9999999E-02 Difference in EF= 0.2088310277 EF set to : 9.3710659563 new EF (no-mixing): 9.3710659563 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.001350 tlogG= -0.013915 logG= -0.015265 Density= 0.099351 ETOT(band)= -0.062477 trlgG= -0.078946 logG= -0.015265 TDE= -0.132109 logGD-logG0= -0.003516 tlogG= -0.046744 logG= -0.050261 Density= 0.293716 ETOT(band)= -0.194343 trlgG= -0.246773 logG= -0.050261 TDE= -0.398813 logGD-logG0= -0.003861 tlogG= -0.043246 logG= -0.047107 Density= 0.296625 ETOT(band)= -0.189540 trlgG= -0.239967 logG= -0.047107 TDE= -0.397163 logGD-logG0= -0.003798 tlogG= -0.043817 logG= -0.047615 Density= 0.296038 ETOT(band)= -0.190389 trlgG= -0.241153 logG= -0.047615 TDE= -0.397438 logGD-logG0= -0.003313 tlogG= -0.049287 logG= -0.052600 Density= 0.292181 ETOT(band)= -0.197492 trlgG= -0.251676 logG= -0.052600 TDE= -0.400319 logGD-logG0= -0.000744 tlogG= -0.013063 logG= -0.013807 Density= 0.072457 ETOT(band)= -0.050379 trlgG= -0.064370 logG= -0.013807 TDE= -0.100468 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003209 tlogG= -0.049794 logG= -0.053003 Density= 0.291543 ETOT(band)= -0.198252 trlgG= -0.252388 logG= -0.053003 TDE= -0.400189 logGD-logG0= -0.003009 tlogG= -0.052085 logG= -0.055094 Density= 0.290047 ETOT(band)= -0.201174 trlgG= -0.256966 logG= -0.055094 TDE= -0.401644 logGD-logG0= -0.003094 tlogG= -0.051139 logG= -0.054233 Density= 0.290681 ETOT(band)= -0.199940 trlgG= -0.254876 logG= -0.054233 TDE= -0.400852 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003113 tlogG= -0.051100 logG= -0.054213 Density= 0.290823 ETOT(band)= -0.199895 trlgG= -0.255106 logG= -0.054213 TDE= -0.401201 logGD-logG0= -0.003244 tlogG= -0.049882 logG= -0.053126 Density= 0.291723 ETOT(band)= -0.198267 trlgG= -0.252802 logG= -0.053126 TDE= -0.400604 10) Finished k-point 21 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003059 tlogG= -0.051560 logG= -0.054619 Density= 0.290435 ETOT(band)= -0.200538 trlgG= -0.255943 logG= -0.054619 TDE= -0.401364 logGD-logG0= -0.006613 tlogG= -0.097998 logG= -0.104611 Density= 0.584413 ETOT(band)= -0.394388 trlgG= -0.501816 logG= -0.104611 TDE= -0.799726 logGD-logG0= -0.006978 tlogG= -0.093562 logG= -0.100540 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.587335 ETOT(band)= -0.388713 trlgG= -0.493910 logG= -0.100540 TDE= -0.797904 logGD-logG0= -0.006229 tlogG= -0.102018 logG= -0.108247 Density= 0.581635 ETOT(band)= -0.399511 trlgG= -0.509568 logG= -0.108247 TDE= -0.801929 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001160 tlogG= -0.015643 logG= -0.016804 Density= 0.097890 ETOT(band)= -0.064827 trlgG= -0.082416 logG= -0.016804 TDE= -0.133035 logGD-logG0= -0.003021 tlogG= -0.052010 logG= -0.055031 Density= 0.290124 ETOT(band)= -0.201020 trlgG= -0.256737 logG= -0.055031 TDE= -0.401532 logGD-logG0= -0.003039 tlogG= -0.051789 logG= -0.054828 logGD-logG0= -0.007170 tlogG= -0.091721 logG= -0.098892 Density= 0.588728 ETOT(band)= -0.386311 trlgG= -0.490352 logG= -0.098892 TDE= -0.796953 Density= 0.290272 ETOT(band)= -0.200785 trlgG= -0.256288 logG= -0.054828 TDE= -0.401389 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003052 tlogG= -0.051683 logG= -0.054734 Density= 0.290355 ETOT(band)= -0.200607 trlgG= -0.256043 logG= -0.054734 TDE= -0.401293 logGD-logG0= -0.006366 tlogG= -0.100701 logG= -0.107067 Density= 0.582613 ETOT(band)= -0.397807 trlgG= -0.507186 logG= -0.107067 TDE= -0.801400 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006584 tlogG= -0.097818 logG= -0.104403 logGD-logG0= -0.003373 tlogG= -0.048660 logG= -0.052033 Density= 0.292582 ETOT(band)= -0.196715 trlgG= -0.250403 logG= -0.052033 TDE= -0.399890 Density= 0.584315 ETOT(band)= -0.394234 trlgG= -0.501674 logG= -0.104403 TDE= -0.799725 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001263 tlogG= -0.014640 logG= -0.015902 Density= 0.098686 ETOT(band)= -0.063484 trlgG= -0.080446 logG= -0.015902 TDE= -0.132515 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.006761 tlogG= -0.096639 logG= -0.103400 Density= 0.585418 ETOT(band)= -0.392640 trlgG= -0.499248 logG= -0.103400 TDE= -0.799061 logGD-logG0= -0.000984 tlogG= -0.017331 logG= -0.018315 Density= 0.096563 ETOT(band)= -0.067163 trlgG= -0.085726 logG= -0.018315 TDE= -0.133920 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001020 tlogG= -0.017100 logG= -0.018121 Density= 0.096837 ETOT(band)= -0.066765 trlgG= -0.085081 logG= -0.018121 TDE= -0.133657 logGD-logG0= -0.003300 tlogG= -0.048860 logG= -0.052160 Density= 0.292292 ETOT(band)= -0.197007 trlgG= -0.250795 logG= -0.052160 TDE= -0.399953 logGD-logG0= -0.003342 tlogG= -0.048699 logG= -0.052041 Density= 0.292459 ETOT(band)= -0.196795 trlgG= -0.250345 logG= -0.052041 TDE= -0.399739 logGD-logG0= -0.003108 tlogG= -0.050880 logG= -0.053988 Density= 0.290862 ETOT(band)= -0.199687 trlgG= -0.254315 logG= -0.053988 TDE= -0.400661 logGD-logG0= -0.003295 tlogG= -0.049000 logG= -0.052295 Density= 0.292211 ETOT(band)= -0.197187 trlgG= -0.251011 logG= -0.052295 TDE= -0.399979 20) Finished k-point 41 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001639 tlogG= -0.024810 logG= -0.026448 Density= 0.145975 ETOT(band)= -0.098959 trlgG= -0.126157 logG= -0.026448 TDE= -0.200250 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003190 tlogG= -0.050040 logG= -0.053230 Density= 0.291426 ETOT(band)= -0.198555 trlgG= -0.252833 logG= -0.053230 TDE= -0.400325 logGD-logG0= -0.003217 tlogG= -0.050160 logG= -0.053377 logGD-logG0= -0.006904 tlogG= -0.094454 logG= -0.101358 Density= 0.586815 ETOT(band)= -0.389807 trlgG= -0.495592 logG= -0.101358 TDE= -0.798409 Density= 0.291543 ETOT(band)= -0.198625 trlgG= -0.253339 logG= -0.053377 TDE= -0.400765 logGD-logG0= -0.006068 tlogG= -0.103337 logG= -0.109405 Density= 0.580532 ETOT(band)= -0.401545 trlgG= -0.512272 logG= -0.109405 TDE= -0.802715 logGD-logG0= -0.003081 tlogG= -0.051317 logG= -0.054398 Density= 0.290605 ETOT(band)= -0.200239 trlgG= -0.255461 logG= -0.054398 TDE= -0.401220 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 22) Finished k-point 45 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000964 tlogG= -0.017339 logG= -0.018302 Density= 0.096412 ETOT(band)= -0.067284 trlgG= -0.085865 logG= -0.018302 TDE= -0.133967 logGD-logG0= -0.003184 tlogG= -0.050411 logG= -0.053595 Density= 0.291331 ETOT(band)= -0.198976 trlgG= -0.253746 logG= -0.053595 TDE= -0.400808 logGD-logG0= -0.003167 tlogG= -0.050312 logG= -0.053479 Density= 0.291296 ETOT(band)= -0.198908 trlgG= -0.253295 logG= -0.053479 TDE= -0.400449 logGD-logG0= -0.006554 tlogG= -0.098642 logG= -0.105196 Density= 0.584030 ETOT(band)= -0.395189 trlgG= -0.503019 logG= -0.105196 TDE= -0.800079 logGD-logG0= -0.006052 tlogG= -0.103636 logG= -0.109688 Density= 0.580381 ETOT(band)= -0.401823 trlgG= -0.512842 logG= -0.109688 TDE= -0.802897 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006536 tlogG= -0.098434 logG= -0.104970 Density= 0.584005 ETOT(band)= -0.394979 trlgG= -0.502783 logG= -0.104970 TDE= -0.800053 logGD-logG0= -0.002998 tlogG= -0.052077 logG= -0.055075 Density= 0.289972 ETOT(band)= -0.201274 trlgG= -0.257055 logG= -0.055075 TDE= -0.401701 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006206 tlogG= -0.102057 logG= -0.108263 Density= 0.581567 ETOT(band)= -0.399696 trlgG= -0.509436 logG= -0.108263 TDE= -0.801734 logGD-logG0= -0.003080 tlogG= -0.051287 logG= -0.054367 Density= 0.290592 ETOT(band)= -0.200152 trlgG= -0.255172 logG= -0.054367 TDE= -0.400954 logGD-logG0= -0.002902 tlogG= -0.052069 logG= -0.054971 Density= 0.289319 ETOT(band)= -0.201832 trlgG= -0.257622 logG= -0.054971 TDE= -0.401922 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006326 tlogG= -0.101153 logG= -0.107479 Density= 0.582350 ETOT(band)= -0.398394 trlgG= -0.508067 logG= -0.107479 TDE= -0.801688 logGD-logG0= -0.006327 tlogG= -0.100900 logG= -0.107227 Density= 0.582447 ETOT(band)= -0.398138 trlgG= -0.507244 logG= -0.107227 TDE= -0.801184 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003021 tlogG= -0.051712 logG= -0.054732 Density= 0.290180 ETOT(band)= -0.200866 trlgG= -0.256255 logG= -0.054732 TDE= -0.401387 logGD-logG0= -0.001462 tlogG= -0.026041 logG= -0.027503 Density= 0.144735 ETOT(band)= -0.100865 trlgG= -0.128762 logG= -0.027503 TDE= -0.200947 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 37) Finished k-point 75 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002952 tlogG= -0.052074 logG= -0.055026 Density= 0.289673 ETOT(band)= -0.201561 trlgG= -0.257340 logG= -0.055026 TDE= -0.401829 logGD-logG0= -0.002995 tlogG= -0.051872 logG= -0.054867 Density= 0.289989 ETOT(band)= -0.201155 trlgG= -0.256715 logG= -0.054867 TDE= -0.401581 logGD-logG0= -0.006198 tlogG= -0.102344 logG= -0.108542 Density= 0.581433 ETOT(band)= -0.399968 trlgG= -0.510232 logG= -0.108542 TDE= -0.802158 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000719 tlogG= -0.012991 logG= -0.013710 Density= 0.072284 ETOT(band)= -0.050471 trlgG= -0.064394 logG= -0.013710 TDE= -0.100470 logGD-logG0= -0.003537 tlogG= -0.046371 logG= -0.049908 Density= 0.294027 ETOT(band)= -0.193796 trlgG= -0.246160 logG= -0.049908 TDE= -0.398767 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002929 tlogG= -0.052149 logG= -0.055078 Density= 0.289506 ETOT(band)= -0.201747 trlgG= -0.257609 logG= -0.055078 TDE= -0.401932 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 57) Finished k-point 115 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002984 tlogG= -0.051874 logG= -0.054858 Density= 0.289921 ETOT(band)= -0.201208 trlgG= -0.256767 logG= -0.054858 TDE= -0.401595 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002960 tlogG= -0.052190 logG= -0.055150 Density= 0.289710 ETOT(band)= -0.201601 trlgG= -0.257501 logG= -0.055150 TDE= -0.401892 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002986 tlogG= -0.052030 logG= -0.055015 Density= 0.289901 ETOT(band)= -0.201333 trlgG= -0.257063 logG= -0.055015 TDE= -0.401720 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000753 tlogG= -0.013031 logG= -0.013784 Density= 0.362635 ETOT(band)= -0.251311 trlgG= -0.320987 logG= -0.013784 TDE= -0.100409 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000120 tlogG= -0.002164 logG= -0.002283 Density= 0.084329 ETOT(band)= -0.058882 trlgG= -0.075125 logG= -0.002283 TDE= -0.016744 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.003102 tlogG= -0.051175 logG= -0.054277 Density= 0.872358 ETOT(band)= -0.599469 trlgG= -0.764724 logG= -0.054277 TDE= -0.401117 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.000750 tlogG= -0.013047 logG= -0.013797 Density= 0.362539 ETOT(band)= -0.251501 trlgG= -0.321267 logG= -0.013797 TDE= -0.100435 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001585 tlogG= -0.025303 logG= -0.026888 Density= 0.436941 ETOT(band)= -0.298585 trlgG= -0.380838 logG= -0.026888 TDE= -0.200495 logGD-logG0= -0.003609 tlogG= -0.045528 logG= -0.049138 Density= 0.586822 ETOT(band)= -0.390172 trlgG= -0.496238 logG= -0.049138 TDE= -0.398361 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003643 tlogG= -0.045313 logG= -0.048956 Density= 0.590793 ETOT(band)= -0.382848 trlgG= -0.485260 logG= -0.048956 TDE= -0.398166 logGD-logG0= -0.003951 tlogG= -0.042524 logG= -0.046475 1) Finished k-point 4 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.396633 ETOT(band)= -0.251019 trlgG= -0.317425 logG= -0.046475 TDE= -0.396761 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001534 tlogG= -0.025729 logG= -0.027263 Density= 0.435860 ETOT(band)= -0.300450 trlgG= -0.383354 logG= -0.027263 TDE= -0.200676 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.006519 tlogG= -0.099311 logG= -0.105830 Density= 1.168100 ETOT(band)= -0.790376 trlgG= -1.006415 logG= -0.105830 TDE= -0.800789 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006125 tlogG= -0.103084 logG= -0.109209 Density= 0.871554 ETOT(band)= -0.600813 trlgG= -0.766333 logG= -0.109209 TDE= -0.802331 logGD-logG0= -0.003426 tlogG= -0.047907 logG= -0.051333 Density= 0.586711 ETOT(band)= -0.390146 trlgG= -0.495604 logG= -0.051333 TDE= -0.399302 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003382 tlogG= -0.047860 logG= -0.051242 Density= 0.584585 ETOT(band)= -0.394038 trlgG= -0.501779 logG= -0.051242 TDE= -0.399446 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001678 tlogG= -0.024459 logG= -0.026137 Density= 0.438806 ETOT(band)= -0.295227 trlgG= -0.375890 logG= -0.026137 TDE= -0.200063 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003149 tlogG= -0.050763 logG= -0.053912 Density= 0.873419 ETOT(band)= -0.597820 trlgG= -0.762520 logG= -0.053912 TDE= -0.401017 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.006768 tlogG= -0.095994 logG= -0.102762 Density= 1.172981 ETOT(band)= -0.780585 trlgG= -0.992241 logG= -0.102762 TDE= -0.798938 logGD-logG0= -0.007452 tlogG= -0.088908 logG= -0.096361 Density= 0.887680 ETOT(band)= -0.572004 trlgG= -0.724826 logG= -0.096361 TDE= -0.795593 logGD-logG0= -0.002987 tlogG= -0.052165 logG= -0.055152 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.579873 ETOT(band)= -0.402670 trlgG= -0.514323 logG= -0.055152 TDE= -0.401789 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.006301 tlogG= -0.101049 logG= -0.107350 Density= 0.873732 ETOT(band)= -0.596579 trlgG= -0.759882 logG= -0.107350 TDE= -0.801133 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003015 tlogG= -0.051929 logG= -0.054944 Density= 0.870495 ETOT(band)= -0.602883 trlgG= -0.769526 logG= -0.054944 TDE= -0.401559 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003563 tlogG= -0.046050 logG= -0.049613 Density= 0.440272 ETOT(band)= -0.292299 trlgG= -0.371726 logG= -0.049613 TDE= -0.398657 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003169 tlogG= -0.050547 logG= -0.053715 Density= 0.873812 ETOT(band)= -0.596948 trlgG= -0.761216 logG= -0.053715 TDE= -0.400881 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003032 tlogG= -0.051891 logG= -0.054922 Density= 0.580554 ETOT(band)= -0.401481 trlgG= -0.512512 logG= -0.054922 TDE= -0.401425 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001078 tlogG= -0.016530 logG= -0.017608 Density= 0.169724 ETOT(band)= -0.116364 trlgG= -0.148395 logG= -0.017608 TDE= -0.133411 42) Finished k-point 86 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003667 tlogG= -0.045048 logG= -0.048715 Density= 0.393774 ETOT(band)= -0.255490 trlgG= -0.324051 logG= -0.048715 TDE= -0.398135 logGD-logG0= -0.003020 tlogG= -0.051975 logG= -0.054995 Density= 0.580393 ETOT(band)= -0.401818 trlgG= -0.513001 logG= -0.054995 TDE= -0.401541 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003087 tlogG= -0.051330 logG= -0.054417 Density= 0.872057 ETOT(band)= -0.600148 trlgG= -0.765705 logG= -0.054417 TDE= -0.401226 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.006659 tlogG= -0.098074 logG= -0.104733 Density= 1.170038 ETOT(band)= -0.787027 trlgG= -1.001497 logG= -0.104733 TDE= -0.800179 logGD-logG0= -0.006449 tlogG= -0.099559 logG= -0.106008 Density= 1.167571 ETOT(band)= -0.790644 trlgG= -1.006400 logG= -0.106008 TDE= -0.800442 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003353 tlogG= -0.048235 logG= -0.051588 Density= 0.584211 ETOT(band)= -0.394848 trlgG= -0.503002 logG= -0.051588 TDE= -0.399653 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006933 tlogG= -0.094424 logG= -0.101357 Density= 1.175515 ETOT(band)= -0.776169 trlgG= -0.985700 logG= -0.101357 TDE= -0.798147 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003385 tlogG= -0.047977 logG= -0.051362 Density= 0.390810 ETOT(band)= -0.260682 trlgG= -0.331608 logG= -0.051362 TDE= -0.399581 32) Finished k-point 66 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003025 tlogG= -0.051782 logG= -0.054807 Density= 0.870716 ETOT(band)= -0.602473 trlgG= -0.768682 logG= -0.054807 TDE= -0.401470 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006464 tlogG= -0.099886 logG= -0.106351 Density= 1.167351 ETOT(band)= -0.791911 trlgG= -1.008725 logG= -0.106351 TDE= -0.801125 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003294 tlogG= -0.049384 logG= -0.052678 Density= 0.584535 ETOT(band)= -0.394428 trlgG= -0.502136 logG= -0.052678 TDE= -0.400284 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006268 tlogG= -0.101445 logG= -0.107713 Density= 0.873408 ETOT(band)= -0.597397 trlgG= -0.761072 logG= -0.107713 TDE= -0.801372 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003226 tlogG= -0.049850 logG= -0.053076 Density= 0.583876 ETOT(band)= -0.395461 trlgG= -0.503503 logG= -0.053076 TDE= -0.400303 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001442 tlogG= -0.025998 logG= -0.027440 Density= 0.241005 ETOT(band)= -0.168221 trlgG= -0.214664 logG= -0.027440 TDE= -0.200949 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006126 tlogG= -0.102708 logG= -0.108834 Density= 0.871870 ETOT(band)= -0.600364 trlgG= -0.765079 logG= -0.108834 TDE= -0.802106 logGD-logG0= -0.000724 tlogG= -0.013016 logG= -0.013739 Density= 0.361636 ETOT(band)= -0.252299 trlgG= -0.322035 logG= -0.013739 TDE= -0.100483 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 57) Finished k-point 116 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005989 tlogG= -0.103896 logG= -0.109885 Density= 0.870127 ETOT(band)= -0.603291 trlgG= -0.769962 logG= -0.109885 TDE= -0.803267 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006252 tlogG= -0.101863 logG= -0.108115 Density= 1.164297 ETOT(band)= -0.797503 trlgG= -1.016689 logG= -0.108115 TDE= -0.802085 logGD-logG0= -0.006705 tlogG= -0.096751 logG= -0.103456 Density= 1.172037 ETOT(band)= -0.782602 trlgG= -0.995332 logG= -0.103456 TDE= -0.799362 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006405 tlogG= -0.100069 logG= -0.106475 Density= 1.166983 ETOT(band)= -0.792028 trlgG= -1.008460 logG= -0.106475 TDE= -0.800735 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003155 tlogG= -0.050437 logG= -0.053592 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.582011 ETOT(band)= -0.398969 trlgG= -0.508648 logG= -0.053592 TDE= -0.400509 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000730 tlogG= -0.013043 logG= -0.013773 Density= 0.361867 ETOT(band)= -0.252200 trlgG= -0.322034 logG= -0.013773 TDE= -0.100491 logGD-logG0= -0.006100 tlogG= -0.103316 logG= -0.109416 Density= 0.871296 ETOT(band)= -0.601394 trlgG= -0.767156 logG= -0.109416 TDE= -0.802534 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003114 tlogG= -0.050917 logG= -0.054031 Density= 0.582173 ETOT(band)= -0.398618 trlgG= -0.507822 logG= -0.054031 TDE= -0.400841 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006141 tlogG= -0.102844 logG= -0.108985 Density= 1.162613 ETOT(band)= -0.800415 trlgG= -1.020686 logG= -0.108985 TDE= -0.802466 38) Finished k-point 78 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003054 tlogG= -0.051504 logG= -0.054558 Density= 0.580851 ETOT(band)= -0.401031 trlgG= -0.511617 logG= -0.054558 TDE= -0.401143 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006447 tlogG= -0.099453 logG= -0.105900 Density= 0.875688 ETOT(band)= -0.593276 trlgG= -0.755383 logG= -0.105900 TDE= -0.800509 logGD-logG0= -0.002937 tlogG= -0.052118 logG= -0.055055 Density= 0.579238 ETOT(band)= -0.403239 trlgG= -0.514845 logG= -0.055055 TDE= -0.401891 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001493 tlogG= -0.025976 logG= -0.027470 Density= 0.434947 ETOT(band)= -0.301794 trlgG= -0.385177 logG= -0.027470 TDE= -0.200834 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005921 tlogG= -0.104050 logG= -0.109971 Density= 0.869398 ETOT(band)= -0.604150 trlgG= -0.771158 logG= -0.109971 TDE= -0.803541 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003424 tlogG= -0.047647 logG= -0.051071 Density= 0.587142 ETOT(band)= -0.389264 trlgG= -0.494661 logG= -0.051071 TDE= -0.399315 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002910 tlogG= -0.052070 logG= -0.054980 Density= 0.434108 ETOT(band)= -0.302659 trlgG= -0.386343 logG= -0.054980 TDE= -0.401910 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002930 tlogG= -0.052057 logG= -0.054987 Density= 0.386089 ETOT(band)= -0.268828 trlgG= -0.343157 logG= -0.054987 TDE= -0.401857 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003021 tlogG= -0.051646 logG= -0.054667 Density= 0.387038 ETOT(band)= -0.267577 trlgG= -0.341207 logG= -0.054667 TDE= -0.401337 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000738 tlogG= -0.013061 logG= -0.013798 Density= 0.362121 ETOT(band)= -0.252024 trlgG= -0.321913 logG= -0.013798 TDE= -0.100487 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002968 tlogG= -0.052127 logG= -0.055095 Density= 0.579676 ETOT(band)= -0.402834 trlgG= -0.514396 logG= -0.055095 TDE= -0.401824 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Sum of eigenvalues= -379.565471508649 eV TrLogG= -483.569182585178 eV Ratio to renormalize= 1.000008042963 rho-rho_expected=-0.000329758828 nargs= 1 argi=dmft2.def 57) Finished k-point number 115 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 42) Finished k-point number 85 1 with #bands= 19 11) Finished k-point number 23 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 40) Finished k-point number 81 1 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 25) Finished k-point number 51 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 1) Finished k-point number 4 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 7) Finished k-point number 15 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 15) Finished k-point number 31 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 41) Finished k-point number 83 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 14) Finished k-point number 29 1 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 55) Finished k-point number 111 1 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 45) Finished k-point number 91 1 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 37) Finished k-point number 75 1 with #bands= 19 55) Finished k-point number 112 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 45) Finished k-point number 92 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 49) Finished k-point number 99 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 53) Finished k-point number 108 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 33) Finished k-point number 67 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.854438333214805 0.862072126333109 0.838651271635828 0) Finished k-point number 1 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 58) Finished k-point number 117 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 18) Finished k-point number 37 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 55) Finished k-point number 111 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 16) Finished k-point number 33 1 with #bands= 19 31) Finished k-point number 63 1 with #bands= 19 17) Finished k-point number 35 1 with #bands= 19 4) Finished k-point number 9 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 1) Finished k-point number 4 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 55) Finished k-point number 112 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 17) Finished k-point number 36 2 with #bands= 19 56) Finished k-point number 114 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 13) Finished k-point number 28 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 46) Finished k-point number 94 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 6) Finished k-point number 14 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 39) Finished k-point number 80 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 45) Finished k-point number 92 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 9.37106595629907 Density= 41.0395105643278 41.0000000000000 EF 9.09895212418548 Density= 40.9193105826085 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.68876071 0.66876071 0.395106E-01 -0.806894E-01 1 0.68218657 0.68876071 -0.230772E-02 0.395106E-01 2 0.68254936 0.68876071 -0.551352E-04 0.395106E-01 3 0.68255823 0.68876071 -0.395764E-08 0.395106E-01 4 0.68255823 0.68876071 -0.355271E-13 0.395106E-01 Absolute convergence of |F(X)|. Difference in EF too large to mix -8.438902706063799E-002 cutoff= 2.9999999E-02 Difference in EF= -0.0843890271 EF set to : 9.2866769292 new EF (no-mixing): 9.2866769292 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.000746 tlogG= -0.012835 logG= -0.013580 Density= 0.072457 ETOT(band)= -0.050462 trlgG= -0.064230 logG= -0.013580 TDE= -0.100106 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001353 tlogG= -0.013579 logG= -0.014931 Density= 0.099354 ETOT(band)= -0.062567 trlgG= -0.078707 logG= -0.014931 TDE= -0.131591 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000986 tlogG= -0.017028 logG= -0.018014 Density= 0.096563 ETOT(band)= -0.067274 trlgG= -0.085542 logG= -0.018014 TDE= -0.133438 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003064 tlogG= -0.050644 logG= -0.053708 Density= 0.290432 ETOT(band)= -0.200869 trlgG= -0.255380 logG= -0.053708 TDE= -0.399909 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003044 tlogG= -0.050870 logG= -0.053914 Density= 0.290269 ETOT(band)= -0.201112 trlgG= -0.255720 logG= -0.053914 TDE= -0.399932 logGD-logG0= -0.003118 tlogG= -0.050180 logG= -0.053298 Density= 0.290820 ETOT(band)= -0.200225 trlgG= -0.254541 logG= -0.053298 TDE= -0.399744 logGD-logG0= -0.000965 tlogG= -0.017037 logG= -0.018002 Density= 0.096412 ETOT(band)= -0.067396 trlgG= -0.085682 logG= -0.018002 TDE= -0.133486 37) Finished k-point 75 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001022 tlogG= -0.016796 logG= -0.017818 Density= 0.096837 ETOT(band)= -0.066876 trlgG= -0.084894 logG= -0.017818 TDE= -0.133173 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003057 tlogG= -0.050760 logG= -0.053816 Density= 0.290351 ETOT(band)= -0.200931 trlgG= -0.255465 logG= -0.053816 TDE= -0.399830 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001265 tlogG= -0.014313 logG= -0.015578 Density= 0.098688 ETOT(band)= -0.063582 trlgG= -0.080223 logG= -0.015578 TDE= -0.132006 logGD-logG0= -0.003014 tlogG= -0.051168 logG= -0.054182 Density= 0.290043 ETOT(band)= -0.201501 trlgG= -0.256401 logG= -0.054182 TDE= -0.400190 logGD-logG0= -0.001162 tlogG= -0.015327 logG= -0.016489 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.097891 ETOT(band)= -0.064931 trlgG= -0.082209 logG= -0.016489 TDE= -0.132536 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003026 tlogG= -0.051089 logG= -0.054114 Density= 0.290120 ETOT(band)= -0.201344 trlgG= -0.256165 logG= -0.054114 TDE= -0.400075 logGD-logG0= -0.002957 tlogG= -0.051167 logG= -0.054124 Density= 0.289671 ETOT(band)= -0.201895 trlgG= -0.256790 logG= -0.054124 TDE= -0.400383 logGD-logG0= -0.000720 tlogG= -0.012765 logG= -0.013485 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 Density= 0.072283 ETOT(band)= -0.050554 trlgG= -0.064257 logG= -0.013485 TDE= -0.100109 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002964 tlogG= -0.051282 logG= -0.054246 Density= 0.289708 ETOT(band)= -0.201934 trlgG= -0.256949 logG= -0.054246 TDE= -0.400445 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001464 tlogG= -0.025588 logG= -0.027052 Density= 0.144734 ETOT(band)= -0.101032 trlgG= -0.128488 logG= -0.027052 TDE= -0.200225 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003868 tlogG= -0.042257 logG= -0.046125 Density= 0.296631 ETOT(band)= -0.189826 trlgG= -0.239284 logG= -0.046125 TDE= -0.395628 logGD-logG0= -0.003523 tlogG= -0.045781 logG= -0.049304 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.293716 ETOT(band)= -0.194646 trlgG= -0.246128 logG= -0.049304 TDE= -0.397302 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003804 tlogG= -0.042832 logG= -0.046636 Density= 0.296041 ETOT(band)= -0.190678 trlgG= -0.240476 logG= -0.046636 TDE= -0.395905 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003250 tlogG= -0.048945 logG= -0.052195 Density= 0.291721 ETOT(band)= -0.198586 trlgG= -0.252214 logG= -0.052195 TDE= -0.399136 10) Finished k-point 21 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003319 tlogG= -0.048342 logG= -0.051661 Density= 0.292182 ETOT(band)= -0.197805 trlgG= -0.251078 logG= -0.051661 TDE= -0.398847 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003214 tlogG= -0.048860 logG= -0.052074 Density= 0.291539 ETOT(band)= -0.198573 trlgG= -0.251791 logG= -0.052074 TDE= -0.398710 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002907 tlogG= -0.051164 logG= -0.054071 Density= 0.289318 ETOT(band)= -0.202166 trlgG= -0.257074 logG= -0.054071 TDE= -0.400478 logGD-logG0= -0.001642 tlogG= -0.024340 logG= -0.025982 Density= 0.145974 ETOT(band)= -0.099117 trlgG= -0.125862 logG= -0.025982 TDE= -0.199516 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006914 tlogG= -0.092556 logG= -0.099470 logGD-logG0= -0.006624 tlogG= -0.096115 logG= -0.102739 Density= 0.584408 ETOT(band)= -0.395021 trlgG= -0.500603 logG= -0.102739 TDE= -0.796757 Density= 0.586816 ETOT(band)= -0.390432 trlgG= -0.494351 logG= -0.099470 TDE= -0.795416 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006239 tlogG= -0.100164 logG= -0.106403 Density= 0.581626 ETOT(band)= -0.400158 trlgG= -0.508408 logG= -0.106403 TDE= -0.798998 22) Finished k-point 45 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003099 tlogG= -0.050213 logG= -0.053312 logGD-logG0= -0.003113 tlogG= -0.049962 logG= -0.053075 logGD-logG0= -0.003086 tlogG= -0.050401 logG= -0.053487 Density= 0.290603 ETOT(band)= -0.200570 trlgG= -0.254900 logG= -0.053487 TDE= -0.399766 Density= 0.290676 ETOT(band)= -0.200264 trlgG= -0.254291 logG= -0.053312 TDE= -0.399382 Density= 0.290861 ETOT(band)= -0.200015 trlgG= -0.253747 logG= -0.053075 TDE= -0.399202 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002934 tlogG= -0.051243 logG= -0.054176 Density= 0.289504 ETOT(band)= -0.202081 trlgG= -0.257060 logG= -0.054176 TDE= -0.400487 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006989 tlogG= -0.091651 logG= -0.098640 Density= 0.587333 ETOT(band)= -0.389331 trlgG= -0.492648 logG= -0.098640 TDE= -0.794898 logGD-logG0= -0.002990 tlogG= -0.051120 logG= -0.054110 Density= 0.289898 ETOT(band)= -0.201666 trlgG= -0.256510 logG= -0.054110 TDE= -0.400272 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.007182 tlogG= -0.089791 logG= -0.096973 Density= 0.588729 ETOT(band)= -0.386916 trlgG= -0.489058 logG= -0.096973 TDE= -0.793927 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002989 tlogG= -0.050965 logG= -0.053954 Density= 0.289920 ETOT(band)= -0.201540 trlgG= -0.256213 logG= -0.053954 TDE= -0.400147 logGD-logG0= -0.003380 tlogG= -0.047707 logG= -0.051087 logGD-logG0= -0.003000 tlogG= -0.050963 logG= -0.053962 Density= 0.289988 ETOT(band)= -0.201488 trlgG= -0.256162 logG= -0.053962 TDE= -0.400133 Density= 0.292585 ETOT(band)= -0.197023 trlgG= -0.249793 logG= -0.051087 TDE= -0.398412 logGD-logG0= -0.006062 tlogG= -0.101807 logG= -0.107869 Density= 0.580376 ETOT(band)= -0.402484 trlgG= -0.511724 logG= -0.107869 TDE= -0.799995 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003195 tlogG= -0.049111 logG= -0.052306 Density= 0.291423 ETOT(band)= -0.198878 trlgG= -0.252244 logG= -0.052306 TDE= -0.398851 logGD-logG0= -0.003543 tlogG= -0.045413 logG= -0.048955 Density= 0.294028 ETOT(band)= -0.194102 trlgG= -0.245525 logG= -0.048955 TDE= -0.397261 logGD-logG0= -0.006216 tlogG= -0.100219 logG= -0.106434 Density= 0.581563 ETOT(band)= -0.400353 trlgG= -0.508299 logG= -0.106434 TDE= -0.798816 logGD-logG0= -0.006594 tlogG= -0.095939 logG= -0.102533 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.584308 ETOT(band)= -0.394870 trlgG= -0.500462 logG= -0.102533 TDE= -0.796752 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003085 tlogG= -0.050365 logG= -0.053451 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.290589 ETOT(band)= -0.200478 trlgG= -0.254598 logG= -0.053451 TDE= -0.399491 logGD-logG0= -0.006376 tlogG= -0.098838 logG= -0.105214 Density= 0.582604 ETOT(band)= -0.398452 trlgG= -0.506020 logG= -0.105214 TDE= -0.798466 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006336 tlogG= -0.099300 logG= -0.105636 Density= 0.582343 ETOT(band)= -0.399044 trlgG= -0.506916 logG= -0.105636 TDE= -0.798763 logGD-logG0= -0.006337 tlogG= -0.099053 logG= -0.105390 Density= 0.582443 ETOT(band)= -0.398792 trlgG= -0.506098 logG= -0.105390 TDE= -0.798260 logGD-logG0= -0.006774 tlogG= -0.094739 logG= -0.101513 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003348 tlogG= -0.047755 logG= -0.051103 Density= 0.292459 ETOT(band)= -0.197110 trlgG= -0.249735 logG= -0.051103 TDE= -0.398252 Density= 0.585418 ETOT(band)= -0.393262 trlgG= -0.498005 logG= -0.101513 TDE= -0.796074 logGD-logG0= -0.006565 tlogG= -0.096769 logG= -0.103335 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.584026 ETOT(band)= -0.395829 trlgG= -0.501827 logG= -0.103335 TDE= -0.797124 20) Finished k-point 41 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003172 tlogG= -0.049389 logG= -0.052561 Density= 0.291296 ETOT(band)= -0.199235 trlgG= -0.252717 logG= -0.052561 TDE= -0.398983 logGD-logG0= -0.003223 tlogG= -0.049229 logG= -0.052451 Density= 0.291540 ETOT(band)= -0.198948 trlgG= -0.252759 logG= -0.052451 TDE= -0.399301 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006078 tlogG= -0.101512 logG= -0.107590 Density= 0.580528 ETOT(band)= -0.402210 trlgG= -0.511158 logG= -0.107590 TDE= -0.799813 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003189 tlogG= -0.049484 logG= -0.052674 Density= 0.291328 ETOT(band)= -0.199303 trlgG= -0.253173 logG= -0.052674 TDE= -0.399347 logGD-logG0= -0.003025 tlogG= -0.050800 logG= -0.053825 Density= 0.290179 ETOT(band)= -0.201198 trlgG= -0.255698 logG= -0.053825 TDE= -0.399937 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003305 tlogG= -0.047926 logG= -0.051232 Density= 0.292292 ETOT(band)= -0.197327 trlgG= -0.250198 logG= -0.051232 TDE= -0.398473 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.006208 tlogG= -0.100500 logG= -0.106707 Density= 0.581425 ETOT(band)= -0.400621 trlgG= -0.509086 logG= -0.106707 TDE= -0.799235 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003002 tlogG= -0.051164 logG= -0.054167 Density= 0.289969 ETOT(band)= -0.201604 trlgG= -0.256497 logG= -0.054167 TDE= -0.400251 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003300 tlogG= -0.048066 logG= -0.051366 Density= 0.292210 ETOT(band)= -0.197508 trlgG= -0.250414 logG= -0.051366 TDE= -0.398498 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006546 tlogG= -0.096564 logG= -0.103111 Density= 0.584001 ETOT(band)= -0.395620 trlgG= -0.501588 logG= -0.103111 TDE= -0.797092 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000751 tlogG= -0.012818 logG= -0.013569 Density= 0.362535 ETOT(band)= -0.251910 trlgG= -0.320561 logG= -0.013569 TDE= -0.100071 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001079 tlogG= -0.016221 logG= -0.017300 Density= 0.169723 ETOT(band)= -0.116555 trlgG= -0.148060 logG= -0.017300 TDE= -0.132920 42) Finished k-point 86 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000754 tlogG= -0.012801 logG= -0.013555 Density= 0.362631 ETOT(band)= -0.251716 trlgG= -0.320272 logG= -0.013555 TDE= -0.100045 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002935 tlogG= -0.051151 logG= -0.054086 Density= 0.386087 ETOT(band)= -0.269273 trlgG= -0.342423 logG= -0.054086 TDE= -0.400412 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000120 tlogG= -0.002126 logG= -0.002246 Density= 0.084329 ETOT(band)= -0.058980 trlgG= -0.074965 logG= -0.002246 TDE= -0.016684 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.000739 tlogG= -0.012834 logG= -0.013572 Density= 0.362118 ETOT(band)= -0.252440 trlgG= -0.321223 logG= -0.013572 TDE= -0.100126 logGD-logG0= -0.003958 tlogG= -0.041525 logG= -0.045483 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.396644 ETOT(band)= -0.251389 trlgG= -0.316488 logG= -0.045483 TDE= -0.395216 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003026 tlogG= -0.050735 logG= -0.053761 Density= 0.387037 ETOT(band)= -0.268019 trlgG= -0.340463 logG= -0.053761 TDE= -0.399887 logGD-logG0= -0.001537 tlogG= -0.025271 logG= -0.026808 Density= 0.435856 ETOT(band)= -0.300947 trlgG= -0.382512 logG= -0.026808 TDE= -0.199949 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002942 tlogG= -0.051212 logG= -0.054153 Density= 0.579235 ETOT(band)= -0.403906 trlgG= -0.513745 logG= -0.054153 TDE= -0.400446 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002914 tlogG= -0.051165 logG= -0.054079 Density= 0.434105 ETOT(band)= -0.303160 trlgG= -0.385520 logG= -0.054079 TDE= -0.400465 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003390 tlogG= -0.047036 logG= -0.050426 Density= 0.390811 ETOT(band)= -0.261103 trlgG= -0.330793 logG= -0.050426 TDE= -0.398093 32) Finished k-point 66 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003107 tlogG= -0.050249 logG= -0.053356 Density= 0.872344 ETOT(band)= -0.600440 trlgG= -0.762984 logG= -0.053356 TDE= -0.399652 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003036 tlogG= -0.050969 logG= -0.054005 Density= 0.580546 ETOT(band)= -0.402129 trlgG= -0.511362 logG= -0.054005 TDE= -0.399967 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003024 tlogG= -0.051057 logG= -0.054082 Density= 0.580386 ETOT(band)= -0.402473 trlgG= -0.511867 logG= -0.054082 TDE= -0.400087 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001588 tlogG= -0.024840 logG= -0.026428 logGD-logG0= -0.003160 tlogG= -0.049514 logG= -0.052674 Density= 0.582006 ETOT(band)= -0.399625 trlgG= -0.507505 logG= -0.052674 TDE= -0.399042 Density= 0.436936 ETOT(band)= -0.299075 trlgG= -0.379979 logG= -0.026428 TDE= -0.199765 logGD-logG0= -0.003673 tlogG= -0.044080 logG= -0.047753 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.393778 ETOT(band)= -0.255888 trlgG= -0.323178 logG= -0.047753 TDE= -0.396618 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003059 tlogG= -0.050588 logG= -0.053647 Density= 0.580846 ETOT(band)= -0.401691 trlgG= -0.510492 logG= -0.053647 TDE= -0.399690 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003154 tlogG= -0.049837 logG= -0.052992 Density= 0.873408 ETOT(band)= -0.598797 trlgG= -0.760794 logG= -0.052992 TDE= -0.399556 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.003020 tlogG= -0.051015 logG= -0.054035 Density= 0.870486 ETOT(band)= -0.603874 trlgG= -0.767849 logG= -0.054035 TDE= -0.400108 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003649 tlogG= -0.044340 logG= -0.047989 Density= 0.590796 ETOT(band)= -0.383435 trlgG= -0.483924 logG= -0.047989 TDE= -0.396645 1) Finished k-point 4 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.007464 tlogG= -0.086955 logG= -0.094420 Density= 0.887691 ETOT(band)= -0.572881 trlgG= -0.722816 logG= -0.094420 TDE= -0.792545 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003568 tlogG= -0.045092 logG= -0.048660 Density= 0.440273 ETOT(band)= -0.292764 trlgG= -0.370797 logG= -0.048660 TDE= -0.397151 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003433 tlogG= -0.046950 logG= -0.050383 Density= 0.586712 ETOT(band)= -0.390755 trlgG= -0.494326 logG= -0.050383 TDE= -0.397802 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006531 tlogG= -0.097434 logG= -0.103965 Density= 1.168090 ETOT(band)= -0.791646 trlgG= -1.004022 logG= -0.103965 TDE= -0.797851 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003092 tlogG= -0.050409 logG= -0.053501 Density= 0.872046 ETOT(band)= -0.601129 trlgG= -0.763988 logG= -0.053501 TDE= -0.399766 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.003615 tlogG= -0.044563 logG= -0.048178 Density= 0.586823 ETOT(band)= -0.390788 trlgG= -0.494993 logG= -0.048178 TDE= -0.396848 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003387 tlogG= -0.046913 logG= -0.050300 logGD-logG0= -0.002991 tlogG= -0.051253 logG= -0.054245 Density= 0.579868 ETOT(band)= -0.403332 trlgG= -0.513208 logG= -0.054245 TDE= -0.400339 Density= 0.584579 ETOT(band)= -0.394671 trlgG= -0.500574 logG= -0.050300 TDE= -0.397952 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006136 tlogG= -0.100878 logG= -0.107014 logGD-logG0= -0.006779 tlogG= -0.094099 logG= -0.100878 Density= 1.172974 ETOT(band)= -0.781829 trlgG= -0.989742 logG= -0.100878 TDE= -0.795949 Density= 0.871868 ETOT(band)= -0.601353 trlgG= -0.763388 logG= -0.107014 TDE= -0.799198 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001681 tlogG= -0.023984 logG= -0.025665 Density= 0.438810 ETOT(band)= -0.295688 trlgG= -0.374975 logG= -0.025665 TDE= -0.199324 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006135 tlogG= -0.101237 logG= -0.107372 Density= 0.871541 ETOT(band)= -0.601784 trlgG= -0.764592 logG= -0.107372 TDE= -0.799403 logGD-logG0= -0.006310 tlogG= -0.099190 logG= -0.105501 Density= 0.873719 ETOT(band)= -0.597544 trlgG= -0.758104 logG= -0.105501 TDE= -0.798184 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003300 tlogG= -0.048444 logG= -0.051744 Density= 0.584534 ETOT(band)= -0.395061 trlgG= -0.500935 logG= -0.051744 TDE= -0.398814 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003358 tlogG= -0.047294 logG= -0.050652 Density= 0.584207 ETOT(band)= -0.395488 trlgG= -0.501814 logG= -0.050652 TDE= -0.398165 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003174 tlogG= -0.049616 logG= -0.052790 Density= 0.873799 ETOT(band)= -0.597915 trlgG= -0.759468 logG= -0.052790 TDE= -0.399415 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006715 tlogG= -0.094868 logG= -0.101583 Density= 1.172035 ETOT(band)= -0.783860 trlgG= -0.992873 logG= -0.101583 TDE= -0.796386 logGD-logG0= -0.003430 tlogG= -0.046697 logG= -0.050127 Density= 0.587142 ETOT(band)= -0.389882 trlgG= -0.493404 logG= -0.050127 TDE= -0.397819 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.006151 tlogG= -0.101010 logG= -0.107161 Density= 1.162603 ETOT(band)= -0.801732 trlgG= -1.018420 logG= -0.107161 TDE= -0.799554 logGD-logG0= -0.006672 tlogG= -0.096181 logG= -0.102853 Density= 1.170039 ETOT(band)= -0.788274 trlgG= -0.999053 logG= -0.102853 TDE= -0.797233 38) Finished k-point 78 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006475 tlogG= -0.098021 logG= -0.104496 Density= 1.167342 ETOT(band)= -0.793196 trlgG= -1.006370 logG= -0.104496 TDE= -0.798194 logGD-logG0= -0.003029 tlogG= -0.050870 logG= -0.053900 Density= 0.870710 ETOT(band)= -0.603470 trlgG= -0.767011 logG= -0.053900 TDE= -0.400020 logGD-logG0= -0.006278 tlogG= -0.099596 logG= -0.105873 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.873398 ETOT(band)= -0.598371 trlgG= -0.759322 logG= -0.105873 TDE= -0.798436 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006109 tlogG= -0.101477 logG= -0.107587 Density= 0.871286 ETOT(band)= -0.602375 trlgG= -0.765443 logG= -0.107587 TDE= -0.799618 logGD-logG0= -0.006262 tlogG= -0.100021 logG= -0.106284 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 1.164287 ETOT(band)= -0.798815 trlgG= -1.014408 logG= -0.106284 TDE= -0.799169 logGD-logG0= -0.003119 tlogG= -0.049999 logG= -0.053118 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.582172 ETOT(band)= -0.399274 trlgG= -0.506679 logG= -0.053118 TDE= -0.399383 logGD-logG0= -0.006459 tlogG= -0.097690 logG= -0.104149 Density= 1.167556 ETOT(band)= -0.791920 trlgG= -1.003996 logG= -0.104149 TDE= -0.797487 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006945 tlogG= -0.092512 logG= -0.099457 Density= 1.175514 ETOT(band)= -0.777389 trlgG= -0.983140 logG= -0.099457 TDE= -0.795140 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001444 tlogG= -0.025546 logG= -0.026990 Density= 0.241004 ETOT(band)= -0.168500 trlgG= -0.214207 logG= -0.026990 TDE= -0.200227 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005999 tlogG= -0.102075 logG= -0.108074 Density= 0.870122 ETOT(band)= -0.604288 trlgG= -0.768298 logG= -0.108074 TDE= -0.800371 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003231 tlogG= -0.048921 logG= -0.052152 Density= 0.583873 ETOT(band)= -0.396106 trlgG= -0.502325 logG= -0.052152 TDE= -0.398835 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000725 tlogG= -0.012789 logG= -0.013514 Density= 0.361634 ETOT(band)= -0.252717 trlgG= -0.321350 logG= -0.013514 TDE= -0.100122 57) Finished k-point 116 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000731 tlogG= -0.012817 logG= -0.013548 Density= 0.361865 ETOT(band)= -0.252617 trlgG= -0.321348 logG= -0.013548 TDE= -0.100130 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006416 tlogG= -0.098210 logG= -0.104625 Density= 1.166973 ETOT(band)= -0.793316 trlgG= -1.006093 logG= -0.104625 TDE= -0.797793 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006457 tlogG= -0.097596 logG= -0.104054 Density= 0.875687 ETOT(band)= -0.594244 trlgG= -0.753614 logG= -0.104054 TDE= -0.797563 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005930 tlogG= -0.102235 logG= -0.108165 Density= 0.869394 ETOT(band)= -0.605150 trlgG= -0.769502 logG= -0.108165 TDE= -0.800648 logGD-logG0= -0.002973 tlogG= -0.051218 logG= -0.054191 Density= 0.579672 ETOT(band)= -0.403500 trlgG= -0.513291 logG= -0.054191 TDE= -0.400377 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001495 tlogG= -0.025522 logG= -0.027017 Density= 0.434945 ETOT(band)= -0.302294 trlgG= -0.384348 logG= -0.027017 TDE= -0.200111 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Sum of eigenvalues= -380.180367977557 eV TrLogG= -482.441592809883 eV Ratio to renormalize= 1.000013929507 rho-rho_expected=-0.000571101846 nargs= 1 argi=dmft2.def 57) Finished k-point number 115 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 44) Finished k-point number 89 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 6) Finished k-point number 13 1 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 48) Finished k-point number 97 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 7) Finished k-point number 15 1 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 56) Finished k-point number 113 1 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 54) Finished k-point number 109 1 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 56) Finished k-point number 114 2 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 53) Finished k-point number 107 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 26) Finished k-point number 54 2 with #bands= 19 35) Finished k-point number 72 2 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 29) Finished k-point number 59 1 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 13) Finished k-point number 27 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 20) Finished k-point number 41 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 43) Finished k-point number 87 1 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 15) Finished k-point number 31 1 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 43) Finished k-point number 88 2 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 46) Finished k-point number 94 2 with #bands= 19 45) Finished k-point number 92 2 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 32) Finished k-point number 66 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 16) Finished k-point number 34 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.865545017499432 0.872777193767771 0.850898197237169 58) Finished k-point number 117 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 55) Finished k-point number 111 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 50) Finished k-point number 101 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 32) Finished k-point number 65 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 30) Finished k-point number 61 1 with #bands= 19 37) Finished k-point number 75 1 with #bands= 19 16) Finished k-point number 33 1 with #bands= 19 1) Finished k-point number 3 1 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 20) Finished k-point number 41 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 27) Finished k-point number 55 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 18) Finished k-point number 38 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 58) Finished k-point number 118 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 0) Finished k-point number 2 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 19) Finished k-point number 40 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 32) Finished k-point number 66 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 16) Finished k-point number 34 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 40) Finished k-point number 82 2 with #bands= 19 57) Finished k-point number 116 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 4) Finished k-point number 10 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 25) Finished k-point number 52 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 27) Finished k-point number 56 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 9.28667692923843 Density= 41.6506094965550 41.0000000000000 EF 9.01456309712485 Density= 41.3081515804342 41.0000000000000 EF 8.74244926501126 Density= 41.0783430819997 41.0000000000000 EF 8.47033543289768 Density= 40.9400649361363 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.64255823 0.62255823 0.783431E-01 -0.599351E-01 1 0.63255823 0.62255825 0.562425E-02 -0.599351E-01 2 0.63173695 0.63255823 -0.479567E-05 0.562425E-02 3 0.63173765 0.63255823 -0.210376E-07 0.562425E-02 4 0.63173765 0.63173765 0.213163E-13 -0.210376E-07 Absolute convergence of |F(X)|. Difference in EF too large to mix -0.691449048282906 cutoff= 2.9999999E-02 Difference in EF= -0.6914490483 EF set to : 8.5952278810 new EF (no-mixing): 8.5952278810 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.000981 tlogG= -0.014612 logG= -0.015593 Density= 0.096398 ETOT(band)= -0.068392 trlgG= -0.084328 logG= -0.015593 TDE= -0.129634 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001385 tlogG= -0.010837 logG= -0.012222 Density= 0.099457 ETOT(band)= -0.063325 trlgG= -0.076811 logG= -0.012222 TDE= -0.127420 logGD-logG0= -0.003115 tlogG= -0.043266 logG= -0.046382 Density= 0.290376 ETOT(band)= -0.203831 trlgG= -0.251201 logG= -0.046382 TDE= -0.388261 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003074 tlogG= -0.043661 logG= -0.046735 Density= 0.290059 ETOT(band)= -0.204240 trlgG= -0.251895 logG= -0.046735 TDE= -0.388402 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000758 tlogG= -0.011000 logG= -0.011757 Density= 0.072444 ETOT(band)= -0.051202 trlgG= -0.063198 logG= -0.011757 TDE= -0.097206 logGD-logG0= -0.000732 tlogG= -0.010946 logG= -0.011679 Density= 0.072272 ETOT(band)= -0.051301 trlgG= -0.063243 logG= -0.011679 TDE= -0.097221 logGD-logG0= -0.003049 tlogG= -0.043815 logG= -0.046864 Density= 0.289921 ETOT(band)= -0.204563 trlgG= -0.252356 logG= -0.046864 TDE= -0.388646 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003172 tlogG= -0.042772 logG= -0.045944 Density= 0.290758 ETOT(band)= -0.203185 trlgG= -0.250353 logG= -0.045944 TDE= -0.388092 logGD-logG0= -0.001002 tlogG= -0.014595 logG= -0.015597 Density= 0.096554 ETOT(band)= -0.068266 trlgG= -0.084178 logG= -0.015597 TDE= -0.129578 logGD-logG0= -0.001039 tlogG= -0.014342 logG= -0.015381 Density= 0.096834 ETOT(band)= -0.067858 trlgG= -0.083503 logG= -0.015381 TDE= -0.129296 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 37) Finished k-point 75 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003094 tlogG= -0.043467 logG= -0.046560 Density= 0.290209 ETOT(band)= -0.204041 trlgG= -0.251501 logG= -0.046560 TDE= -0.388276 logGD-logG0= -0.003106 tlogG= -0.043317 logG= -0.046423 Density= 0.290284 ETOT(band)= -0.203830 trlgG= -0.251157 logG= -0.046423 TDE= -0.388117 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001289 tlogG= -0.011670 logG= -0.012959 Density= 0.098745 ETOT(band)= -0.064430 trlgG= -0.078501 logG= -0.012959 TDE= -0.127923 logGD-logG0= -0.006159 tlogG= -0.087082 logG= -0.093240 Density= 0.580281 ETOT(band)= -0.408397 trlgG= -0.503425 logG= -0.093240 TDE= -0.776771 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.003880 tlogG= -0.034843 logG= -0.038723 Density= 0.296174 ETOT(band)= -0.193193 trlgG= -0.235212 logG= -0.038723 TDE= -0.383594 logGD-logG0= -0.003062 tlogG= -0.043779 logG= -0.046841 Density= 0.289987 ETOT(band)= -0.204428 trlgG= -0.252196 logG= -0.046841 TDE= -0.388551 logGD-logG0= -0.001182 tlogG= -0.012775 logG= -0.013957 Density= 0.097912 ETOT(band)= -0.065853 trlgG= -0.080643 logG= -0.013957 TDE= -0.128541 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003946 tlogG= -0.034240 logG= -0.038186 Density= 0.296834 ETOT(band)= -0.192294 trlgG= -0.233963 logG= -0.038186 TDE= -0.383297 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003389 tlogG= -0.040708 logG= -0.044097 Density= 0.292164 ETOT(band)= -0.200612 trlgG= -0.246597 logG= -0.044097 TDE= -0.387071 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001488 tlogG= -0.021945 logG= -0.023433 Density= 0.144715 ETOT(band)= -0.102525 trlgG= -0.126453 logG= -0.023433 TDE= -0.194443 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003039 tlogG= -0.043799 logG= -0.046838 Density= 0.289855 ETOT(band)= -0.204645 trlgG= -0.252413 logG= -0.046838 TDE= -0.388688 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003606 tlogG= -0.037677 logG= -0.041283 Density= 0.294076 ETOT(band)= -0.196823 trlgG= -0.240695 logG= -0.041283 TDE= -0.385191 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003595 tlogG= -0.037980 logG= -0.041575 Density= 0.293723 ETOT(band)= -0.197340 trlgG= -0.241188 logG= -0.041575 TDE= -0.385168 logGD-logG0= -0.001675 tlogG= -0.020552 logG= -0.022226 Density= 0.145957 ETOT(band)= -0.100545 trlgG= -0.123668 logG= -0.022226 TDE= -0.193648 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003455 tlogG= -0.039997 logG= -0.043452 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.292588 ETOT(band)= -0.199769 trlgG= -0.245198 logG= -0.043452 TDE= -0.386584 logGD-logG0= -0.002955 tlogG= -0.043885 logG= -0.046839 Density= 0.289277 ETOT(band)= -0.205154 trlgG= -0.253011 logG= -0.046839 TDE= -0.388919 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003412 tlogG= -0.040138 logG= -0.043551 logGD-logG0= -0.003312 tlogG= -0.041383 logG= -0.044695 Density= 0.292437 ETOT(band)= -0.199936 trlgG= -0.245206 logG= -0.043551 TDE= -0.386398 Density= 0.291665 ETOT(band)= -0.201451 trlgG= -0.247833 logG= -0.044695 TDE= -0.387394 20) Finished k-point 41 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003005 tlogG= -0.043868 logG= -0.046873 Density= 0.289633 ETOT(band)= -0.204880 trlgG= -0.252712 logG= -0.046873 TDE= -0.388811 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003360 tlogG= -0.040401 logG= -0.043761 logGD-logG0= -0.003283 tlogG= -0.041717 logG= -0.045000 Density= 0.292310 ETOT(band)= -0.200182 trlgG= -0.245717 logG= -0.043761 TDE= -0.386619 Density= 0.291483 ETOT(band)= -0.201852 trlgG= -0.248456 logG= -0.045000 TDE= -0.387597 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003164 tlogG= -0.042570 logG= -0.045734 Density= 0.290854 ETOT(band)= -0.202947 trlgG= -0.249518 logG= -0.045734 TDE= -0.387527 logGD-logG0= -0.003037 tlogG= -0.043649 logG= -0.046686 Density= 0.289895 ETOT(band)= -0.204511 trlgG= -0.252104 logG= -0.046686 TDE= -0.388556 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006910 tlogG= -0.079386 logG= -0.086296 Density= 0.585389 ETOT(band)= -0.398825 trlgG= -0.488754 logG= -0.086296 TDE= -0.772271 logGD-logG0= -0.006487 tlogG= -0.083808 logG= -0.090295 Density= 0.582455 ETOT(band)= -0.404233 trlgG= -0.497320 logG= -0.090295 TDE= -0.774984 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003049 tlogG= -0.043642 logG= -0.046691 Density= 0.289953 ETOT(band)= -0.204466 trlgG= -0.252062 logG= -0.046691 TDE= -0.388545 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003224 tlogG= -0.041961 logG= -0.045185 Density= 0.291295 ETOT(band)= -0.202148 trlgG= -0.248402 logG= -0.045185 TDE= -0.387239 logGD-logG0= -0.003356 tlogG= -0.040536 logG= -0.043892 Density= 0.292206 ETOT(band)= -0.200375 trlgG= -0.245934 logG= -0.043892 TDE= -0.386640 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006343 tlogG= -0.085213 logG= -0.091556 logGD-logG0= -0.002982 tlogG= -0.043952 logG= -0.046934 Density= 0.289463 ETOT(band)= -0.205068 trlgG= -0.252990 logG= -0.046934 TDE= -0.388921 Density= 0.581478 ETOT(band)= -0.405956 trlgG= -0.499732 logG= -0.091556 TDE= -0.775518 logGD-logG0= -0.006178 tlogG= -0.086820 logG= -0.092998 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.580448 ETOT(band)= -0.408153 trlgG= -0.502901 logG= -0.092998 TDE= -0.776594 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003246 tlogG= -0.042023 logG= -0.045268 Density= 0.291272 ETOT(band)= -0.202236 trlgG= -0.248929 logG= -0.045268 TDE= -0.387669 logGD-logG0= -0.007032 tlogG= -0.077244 logG= -0.084276 logGD-logG0= -0.003266 tlogG= -0.041326 logG= -0.044593 logGD-logG0= -0.007108 tlogG= -0.076219 logG= -0.083327 Density= 0.587357 ETOT(band)= -0.394816 trlgG= -0.483058 logG= -0.083327 TDE= -0.770787 Density= 0.291477 ETOT(band)= -0.201440 trlgG= -0.247298 logG= -0.044593 TDE= -0.386842 Density= 0.586878 ETOT(band)= -0.395983 trlgG= -0.484957 logG= -0.084276 TDE= -0.771434 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006683 tlogG= -0.081672 logG= -0.088355 Density= 0.583951 ETOT(band)= -0.401572 trlgG= -0.492990 logG= -0.088355 TDE= -0.773538 22) Finished k-point 45 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003012 tlogG= -0.043971 logG= -0.046984 Density= 0.289663 ETOT(band)= -0.204914 trlgG= -0.252860 logG= -0.046984 TDE= -0.388867 logGD-logG0= -0.006744 tlogG= -0.080914 logG= -0.087658 Density= 0.584319 ETOT(band)= -0.400696 trlgG= -0.491580 logG= -0.087658 TDE= -0.773058 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.007315 tlogG= -0.074181 logG= -0.081496 logGD-logG0= -0.006311 tlogG= -0.085632 logG= -0.091943 Density= 0.588818 ETOT(band)= -0.392267 trlgG= -0.479165 logG= -0.081496 TDE= -0.769647 Density= 0.581301 ETOT(band)= -0.406473 trlgG= -0.500549 logG= -0.091943 TDE= -0.775836 logGD-logG0= -0.003136 tlogG= -0.042939 logG= -0.046074 Density= 0.290534 ETOT(band)= -0.203397 trlgG= -0.250327 logG= -0.046074 TDE= -0.387794 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003248 tlogG= -0.041623 logG= -0.044870 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.291384 ETOT(band)= -0.201768 trlgG= -0.247828 logG= -0.044870 TDE= -0.387036 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006704 tlogG= -0.080772 logG= -0.087475 Density= 0.584210 ETOT(band)= -0.400553 trlgG= -0.491321 logG= -0.087475 TDE= -0.772912 logGD-logG0= -0.003075 tlogG= -0.043459 logG= -0.046534 logGD-logG0= -0.006656 tlogG= -0.081495 logG= -0.088151 Density= 0.290148 ETOT(band)= -0.204161 trlgG= -0.251568 logG= -0.046534 TDE= -0.388332 Density= 0.583952 ETOT(band)= -0.401349 trlgG= -0.492609 logG= -0.088151 TDE= -0.773363 logGD-logG0= -0.006318 tlogG= -0.085411 logG= -0.091729 Density= 0.581493 ETOT(band)= -0.406228 trlgG= -0.499837 logG= -0.091729 TDE= -0.775459 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003137 tlogG= -0.043026 logG= -0.046164 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.290555 ETOT(band)= -0.203537 trlgG= -0.250736 logG= -0.046164 TDE= -0.388127 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006446 tlogG= -0.084360 logG= -0.090806 Density= 0.582216 ETOT(band)= -0.404885 trlgG= -0.498358 logG= -0.090806 TDE= -0.775359 logGD-logG0= -0.003149 tlogG= -0.042746 logG= -0.045895 Density= 0.290609 ETOT(band)= -0.203156 trlgG= -0.249922 logG= -0.045895 TDE= -0.387616 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006444 tlogG= -0.084174 logG= -0.090617 Density= 0.582374 ETOT(band)= -0.404645 trlgG= -0.497580 logG= -0.090617 TDE= -0.774870 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000122 tlogG= -0.001823 logG= -0.001945 Density= 0.084316 ETOT(band)= -0.059852 trlgG= -0.073782 logG= -0.001945 TDE= -0.016203 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.000766 tlogG= -0.010945 logG= -0.011711 Density= 0.362555 ETOT(band)= -0.255335 trlgG= -0.314935 logG= -0.011711 TDE= -0.097127 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000763 tlogG= -0.010972 logG= -0.011734 Density= 0.362464 ETOT(band)= -0.255569 trlgG= -0.315305 logG= -0.011734 TDE= -0.097162 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003040 tlogG= -0.043909 logG= -0.046949 Density= 0.579768 ETOT(band)= -0.409252 trlgG= -0.504934 logG= -0.046949 TDE= -0.388736 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001097 tlogG= -0.013730 logG= -0.014827 Density= 0.169716 ETOT(band)= -0.118256 trlgG= -0.145562 logG= -0.014827 TDE= -0.128988 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003072 tlogG= -0.043662 logG= -0.046734 Density= 0.580270 ETOT(band)= -0.408328 trlgG= -0.503438 logG= -0.046734 TDE= -0.388445 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001616 tlogG= -0.021113 logG= -0.022729 Density= 0.436849 ETOT(band)= -0.303479 trlgG= -0.373623 logG= -0.022729 TDE= -0.193931 logGD-logG0= -0.003070 tlogG= -0.043658 logG= -0.046728 Density= 0.870341 ETOT(band)= -0.612748 trlgG= -0.755413 logG= -0.046728 TDE= -0.388501 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000737 tlogG= -0.010970 logG= -0.011707 Density= 0.361583 ETOT(band)= -0.256452 trlgG= -0.316272 logG= -0.011707 TDE= -0.097232 57) Finished k-point 116 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004044 tlogG= -0.033409 logG= -0.037454 Density= 0.396989 ETOT(band)= -0.254528 trlgG= -0.309100 logG= -0.037454 TDE= -0.382797 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003740 tlogG= -0.036255 logG= -0.039994 Density= 0.393948 ETOT(band)= -0.259373 trlgG= -0.316470 logG= -0.039994 TDE= -0.384465 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003078 tlogG= -0.043530 logG= -0.046608 Density= 0.870583 ETOT(band)= -0.612393 trlgG= -0.754640 logG= -0.046608 TDE= -0.388421 logGD-logG0= -0.001563 tlogG= -0.021587 logG= -0.023150 Density= 0.435781 ETOT(band)= -0.305403 trlgG= -0.376276 logG= -0.023150 TDE= -0.194135 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003144 tlogG= -0.042982 logG= -0.046126 Density= 0.871855 ETOT(band)= -0.609913 trlgG= -0.751196 logG= -0.046126 TDE= -0.388075 logGD-logG0= -0.003109 tlogG= -0.043210 logG= -0.046319 Density= 0.580749 ETOT(band)= -0.407601 trlgG= -0.502143 logG= -0.046319 TDE= -0.388062 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003678 tlogG= -0.036761 logG= -0.040439 Density= 0.586871 ETOT(band)= -0.396261 trlgG= -0.485569 logG= -0.040439 TDE= -0.384711 logGD-logG0= -0.003721 tlogG= -0.036458 logG= -0.040179 Density= 0.590975 ETOT(band)= -0.388574 trlgG= -0.473584 logG= -0.040179 TDE= -0.384430 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003447 tlogG= -0.039451 logG= -0.042897 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.390866 ETOT(band)= -0.264841 trlgG= -0.324646 logG= -0.042897 TDE= -0.386175 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003210 tlogG= -0.042376 logG= -0.045586 Density= 0.873212 ETOT(band)= -0.607564 trlgG= -0.747974 logG= -0.045586 TDE= -0.387864 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.003630 tlogG= -0.037357 logG= -0.040987 Density= 0.440332 ETOT(band)= -0.296901 trlgG= -0.363770 logG= -0.040987 TDE= -0.385083 logGD-logG0= -0.002990 tlogG= -0.043918 logG= -0.046908 Density= 0.579158 ETOT(band)= -0.409876 trlgG= -0.505592 logG= -0.046908 TDE= -0.388876 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000743 tlogG= -0.010995 logG= -0.011738 Density= 0.361813 ETOT(band)= -0.256351 trlgG= -0.316262 logG= -0.011738 TDE= -0.097240 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006027 tlogG= -0.087628 logG= -0.093655 Density= 0.869302 ETOT(band)= -0.614082 trlgG= -0.757218 logG= -0.093655 TDE= -0.777492 logGD-logG0= -0.003085 tlogG= -0.043536 logG= -0.046621 Density= 0.580418 ETOT(band)= -0.407923 trlgG= -0.502782 logG= -0.046621 TDE= -0.388293 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003159 tlogG= -0.042781 logG= -0.045940 Density= 0.872119 ETOT(band)= -0.609141 trlgG= -0.749983 logG= -0.045940 TDE= -0.387920 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003212 tlogG= -0.042079 logG= -0.045291 Density= 0.581925 ETOT(band)= -0.405499 trlgG= -0.498994 logG= -0.045291 TDE= -0.387292 logGD-logG0= -0.001468 tlogG= -0.021909 logG= -0.023377 Density= 0.240969 ETOT(band)= -0.170990 trlgG= -0.210824 logG= -0.023377 TDE= -0.194450 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001520 tlogG= -0.021865 logG= -0.023384 Density= 0.434890 ETOT(band)= -0.306764 trlgG= -0.378205 logG= -0.023384 TDE= -0.194321 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003365 tlogG= -0.040857 logG= -0.044222 Density= 0.584480 ETOT(band)= -0.400735 trlgG= -0.492000 logG= -0.044222 TDE= -0.387067 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003443 tlogG= -0.039271 logG= -0.042714 Density= 0.584498 ETOT(band)= -0.400337 trlgG= -0.491523 logG= -0.042714 TDE= -0.385970 logGD-logG0= -0.007605 tlogG= -0.071151 logG= -0.078756 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.888133 ETOT(band)= -0.580508 trlgG= -0.707259 logG= -0.078756 TDE= -0.768086 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003507 tlogG= -0.039206 logG= -0.042713 Density= 0.586719 ETOT(band)= -0.396179 trlgG= -0.484664 logG= -0.042713 TDE= -0.385860 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001719 tlogG= -0.020134 logG= -0.021853 Density= 0.438817 ETOT(band)= -0.299810 trlgG= -0.368088 logG= -0.021853 TDE= -0.193415 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003493 tlogG= -0.039031 logG= -0.042524 Density= 0.587193 ETOT(band)= -0.395387 trlgG= -0.483865 logG= -0.042524 TDE= -0.385820 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003414 tlogG= -0.039705 logG= -0.043119 Density= 0.584152 ETOT(band)= -0.401214 trlgG= -0.492928 logG= -0.043119 TDE= -0.386242 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003287 tlogG= -0.041433 logG= -0.044720 Density= 0.583833 ETOT(band)= -0.401880 trlgG= -0.493530 logG= -0.044720 TDE= -0.387108 logGD-logG0= -0.006811 tlogG= -0.080892 logG= -0.087702 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 1.169974 ETOT(band)= -0.799439 trlgG= -0.980812 logG= -0.087702 TDE= -0.773660 logGD-logG0= -0.006237 tlogG= -0.086150 logG= -0.092387 Density= 0.871813 ETOT(band)= -0.610192 trlgG= -0.750816 logG= -0.092387 TDE= -0.775924 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006595 tlogG= -0.082979 logG= -0.089574 Density= 1.167163 ETOT(band)= -0.804730 trlgG= -0.988893 logG= -0.089574 TDE= -0.774766 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003230 tlogG= -0.042110 logG= -0.045340 Density= 0.873571 ETOT(band)= -0.606594 trlgG= -0.746435 logG= -0.045340 TDE= -0.387684 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006564 tlogG= -0.082643 logG= -0.089208 Density= 0.875692 ETOT(band)= -0.602884 trlgG= -0.740343 logG= -0.089208 TDE= -0.773962 logGD-logG0= -0.003171 tlogG= -0.042603 logG= -0.045773 Density= 0.582144 ETOT(band)= -0.405131 trlgG= -0.498154 logG= -0.045773 TDE= -0.387719 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006898 tlogG= -0.078801 logG= -0.085699 Density= 1.172950 ETOT(band)= -0.792915 trlgG= -0.970794 logG= -0.085699 TDE= -0.771977 logGD-logG0= -0.006414 tlogG= -0.084195 logG= -0.090609 Density= 0.873520 ETOT(band)= -0.606183 trlgG= -0.744785 logG= -0.090609 TDE= -0.774577 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006096 tlogG= -0.087422 logG= -0.093518 Density= 0.870014 ETOT(band)= -0.613199 trlgG= -0.755955 logG= -0.093518 TDE= -0.777191 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006253 tlogG= -0.086241 logG= -0.092494 Density= 1.162433 ETOT(band)= -0.813517 trlgG= -1.001571 logG= -0.092494 TDE= -0.776242 38) Finished k-point 78 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006382 tlogG= -0.084686 logG= -0.091067 logGD-logG0= -0.006525 tlogG= -0.083221 logG= -0.089746 Density= 1.166828 ETOT(band)= -0.804841 trlgG= -0.988409 logG= -0.089746 TDE= -0.774279 Density= 0.873257 ETOT(band)= -0.607081 trlgG= -0.746259 logG= -0.091067 TDE= -0.774954 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006654 tlogG= -0.082291 logG= -0.088945 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 1.167894 ETOT(band)= -0.803039 trlgG= -0.986204 logG= -0.088945 TDE= -0.774345 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006832 tlogG= -0.079680 logG= -0.086512 Density= 1.172079 ETOT(band)= -0.795073 trlgG= -0.974308 logG= -0.086512 TDE= -0.772532 logGD-logG0= -0.006209 tlogG= -0.086659 logG= -0.092867 Density= 0.871116 ETOT(band)= -0.611145 trlgG= -0.752714 logG= -0.092867 TDE= -0.776296 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.007077 tlogG= -0.077053 logG= -0.084130 Density= 1.175608 ETOT(band)= -0.788225 trlgG= -0.963611 logG= -0.084130 TDE= -0.771013 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006234 tlogG= -0.086339 logG= -0.092573 logGD-logG0= -0.006569 tlogG= -0.082607 logG= -0.089176 Density= 1.167328 ETOT(band)= -0.803347 trlgG= -0.985975 logG= -0.089176 TDE= -0.773856 Density= 0.871341 ETOT(band)= -0.610469 trlgG= -0.751592 logG= -0.092573 TDE= -0.775966 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003075 tlogG= -0.043399 logG= -0.046475 Density= 0.387014 ETOT(band)= -0.271963 trlgG= -0.334941 logG= -0.046475 TDE= -0.388280 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002983 tlogG= -0.043862 logG= -0.046845 Density= 0.386044 ETOT(band)= -0.273249 trlgG= -0.336984 logG= -0.046845 TDE= -0.388843 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002962 tlogG= -0.043883 logG= -0.046845 Density= 0.434049 ETOT(band)= -0.307639 trlgG= -0.379418 logG= -0.046845 TDE= -0.388903 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000751 tlogG= -0.011007 logG= -0.011758 Density= 0.362062 ETOT(band)= -0.256166 trlgG= -0.316112 logG= -0.011758 TDE= -0.097232 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006370 tlogG= -0.085188 logG= -0.091558 Density= 1.164109 ETOT(band)= -0.810570 trlgG= -0.997479 logG= -0.091558 TDE= -0.775845 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003021 tlogG= -0.043904 logG= -0.046925 Density= 0.579586 ETOT(band)= -0.409457 trlgG= -0.505099 logG= -0.046925 TDE= -0.388795 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Sum of eigenvalues= -385.671630073403 eV TrLogG= -473.988378955103 eV Ratio to renormalize= 1.000096822745 rho-rho_expected=-0.003969348231 nargs= 1 argi=dmft2.def 5) Finished k-point number 11 1 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 49) Finished k-point number 100 2 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 51) Finished k-point number 103 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 25) Finished k-point number 51 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 51) Finished k-point number 104 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 53) Finished k-point number 108 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 30) Finished k-point number 61 1 with #bands= 19 50) Finished k-point number 101 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 8) Finished k-point number 18 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 24) Finished k-point number 50 2 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 33) Finished k-point number 68 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 26) Finished k-point number 54 2 with #bands= 19 22) Finished k-point number 45 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 15) Finished k-point number 31 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 48) Finished k-point number 97 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 1) Finished k-point number 4 2 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 59) Finished k-point number 119 1 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 47) Finished k-point number 95 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 31) Finished k-point number 64 2 with #bands= 19 47) Finished k-point number 96 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 20) Finished k-point number 41 1 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.864763471884176 0.872009208163687 0.850045337147228 0) Finished k-point number 1 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 55) Finished k-point number 111 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 18) Finished k-point number 37 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 50) Finished k-point number 101 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 40) Finished k-point number 81 1 with #bands= 19 9) Finished k-point number 19 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 30) Finished k-point number 61 1 with #bands= 19 10) Finished k-point number 21 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 14) Finished k-point number 29 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 45) Finished k-point number 91 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 58) Finished k-point number 118 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 12) Finished k-point number 26 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 17) Finished k-point number 36 2 with #bands= 19 32) Finished k-point number 66 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 30) Finished k-point number 62 2 with #bands= 19 5) Finished k-point number 12 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 54) Finished k-point number 110 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 52) Finished k-point number 106 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 53) Finished k-point number 108 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 45) Finished k-point number 92 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 29) Finished k-point number 60 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 8.59522788095552 Density= 40.9805356286310 41.0000000000000 EF 8.86734171306911 Density= 41.1258446341015 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.65173765 0.63173765 0.125845 -0.194644E-01 1 0.64173765 0.63173767 0.498502E-01 -0.194644E-01 2 0.63673766 0.63173742 0.140637E-01 -0.194644E-01 3 0.63467743 0.63173742 0.771319E-05 -0.194644E-01 4 0.63467629 0.63173742 0.531219E-07 -0.194644E-01 5 0.63467628 0.63467629 -0.497380E-13 0.531219E-07 Absolute convergence of |F(X)|. Difference in EF too large to mix 3.998207095994651E-002 cutoff= 2.9999999E-02 Difference in EF= 0.0399820710 EF set to : 8.6352099519 new EF (no-mixing): 8.6352099519 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.000980 tlogG= -0.014781 logG= -0.015761 Density= 0.096399 ETOT(band)= -0.068348 trlgG= -0.084448 logG= -0.015761 TDE= -0.129870 logGD-logG0= -0.001000 tlogG= -0.014765 logG= -0.015765 Density= 0.096554 ETOT(band)= -0.068223 trlgG= -0.084298 logG= -0.015765 TDE= -0.129814 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001037 tlogG= -0.014513 logG= -0.015550 Density= 0.096834 ETOT(band)= -0.067815 trlgG= -0.083625 logG= -0.015550 TDE= -0.129533 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001382 tlogG= -0.011031 logG= -0.012413 Density= 0.099445 ETOT(band)= -0.063305 trlgG= -0.076978 logG= -0.012413 TDE= -0.127680 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003102 tlogG= -0.043835 logG= -0.046937 Density= 0.290289 ETOT(band)= -0.203704 trlgG= -0.251528 logG= -0.046937 TDE= -0.388831 logGD-logG0= -0.003045 tlogG= -0.044326 logG= -0.047371 Density= 0.289924 ETOT(band)= -0.204433 trlgG= -0.252717 logG= -0.047371 TDE= -0.389354 logGD-logG0= -0.000757 tlogG= -0.011127 logG= -0.011884 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 Density= 0.072445 ETOT(band)= -0.051170 trlgG= -0.063288 logG= -0.011884 TDE= -0.097383 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003070 tlogG= -0.044178 logG= -0.047248 Density= 0.290064 ETOT(band)= -0.204114 trlgG= -0.252266 logG= -0.047248 TDE= -0.389115 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000731 tlogG= -0.011073 logG= -0.011805 Density= 0.072273 ETOT(band)= -0.051269 trlgG= -0.063333 logG= -0.011805 TDE= -0.097398 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001287 tlogG= -0.011855 logG= -0.013142 Density= 0.098739 ETOT(band)= -0.064400 trlgG= -0.078650 logG= -0.013142 TDE= -0.128175 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003873 tlogG= -0.035405 logG= -0.039278 Density= 0.296159 ETOT(band)= -0.193105 trlgG= -0.235669 logG= -0.039278 TDE= -0.384356 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003600 tlogG= -0.038217 logG= -0.041817 logGD-logG0= -0.003407 tlogG= -0.040668 logG= -0.044075 Density= 0.292440 ETOT(band)= -0.199815 trlgG= -0.245589 logG= -0.044075 TDE= -0.387118 Density= 0.294071 ETOT(band)= -0.196714 trlgG= -0.241109 logG= -0.041817 TDE= -0.385932 logGD-logG0= -0.001672 tlogG= -0.020815 logG= -0.022487 Density= 0.145960 ETOT(band)= -0.100483 trlgG= -0.123855 logG= -0.022487 TDE= -0.194005 20) Finished k-point 41 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003939 tlogG= -0.034804 logG= -0.038743 Density= 0.296810 ETOT(band)= -0.192212 trlgG= -0.234425 logG= -0.038743 TDE= -0.384060 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003589 tlogG= -0.038526 logG= -0.042115 Density= 0.293723 ETOT(band)= -0.197232 trlgG= -0.241611 logG= -0.042115 TDE= -0.385916 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003045 tlogG= -0.044151 logG= -0.047196 Density= 0.289955 ETOT(band)= -0.204335 trlgG= -0.252421 logG= -0.047196 TDE= -0.389253 logGD-logG0= -0.003383 tlogG= -0.041239 logG= -0.044623 Density= 0.292167 ETOT(band)= -0.200492 trlgG= -0.246980 logG= -0.044623 TDE= -0.387789 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006734 tlogG= -0.081972 logG= -0.088706 Density= 0.584330 ETOT(band)= -0.400452 trlgG= -0.492344 logG= -0.088706 TDE= -0.774499 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002951 tlogG= -0.044392 logG= -0.047343 Density= 0.289280 ETOT(band)= -0.205024 trlgG= -0.253370 logG= -0.047343 TDE= -0.389627 logGD-logG0= -0.002978 tlogG= -0.044460 logG= -0.047438 Density= 0.289466 ETOT(band)= -0.204937 trlgG= -0.253349 logG= -0.047438 TDE= -0.389628 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003307 tlogG= -0.041909 logG= -0.045215 logGD-logG0= -0.003449 tlogG= -0.040535 logG= -0.043984 Density= 0.292590 ETOT(band)= -0.199655 trlgG= -0.245591 logG= -0.043984 TDE= -0.387307 Density= 0.291672 ETOT(band)= -0.201326 trlgG= -0.248208 logG= -0.045215 TDE= -0.388110 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003035 tlogG= -0.044308 logG= -0.047342 Density= 0.289858 ETOT(band)= -0.204514 trlgG= -0.252771 logG= -0.047342 TDE= -0.389395 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003355 tlogG= -0.040924 logG= -0.044280 Density= 0.292307 ETOT(band)= -0.200061 trlgG= -0.246102 logG= -0.044280 TDE= -0.387343 logGD-logG0= -0.006898 tlogG= -0.080456 logG= -0.087355 Density= 0.585395 ETOT(band)= -0.398590 trlgG= -0.489534 logG= -0.087355 TDE= -0.773715 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003243 tlogG= -0.042143 logG= -0.045386 Density= 0.291387 ETOT(band)= -0.201643 trlgG= -0.248208 logG= -0.045386 TDE= -0.387758 logGD-logG0= -0.003241 tlogG= -0.042541 logG= -0.045781 Density= 0.291278 ETOT(band)= -0.202105 trlgG= -0.249294 logG= -0.045781 TDE= -0.388379 logGD-logG0= -0.007022 tlogG= -0.078310 logG= -0.085332 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.586869 ETOT(band)= -0.395755 trlgG= -0.485764 logG= -0.085332 TDE= -0.772903 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003262 tlogG= -0.041851 logG= -0.045112 Density= 0.291482 ETOT(band)= -0.201316 trlgG= -0.247683 logG= -0.045112 TDE= -0.387568 logGD-logG0= -0.006478 tlogG= -0.084853 logG= -0.091331 Density= 0.582470 ETOT(band)= -0.403980 trlgG= -0.498067 logG= -0.091331 TDE= -0.776416 22) Finished k-point 45 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003160 tlogG= -0.043084 logG= -0.046244 Density= 0.290853 ETOT(band)= -0.202820 trlgG= -0.249885 logG= -0.046244 TDE= -0.388239 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003033 tlogG= -0.044158 logG= -0.047191 Density= 0.289896 ETOT(band)= -0.204381 trlgG= -0.252464 logG= -0.047191 TDE= -0.389264 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001486 tlogG= -0.022199 logG= -0.023685 Density= 0.144716 ETOT(band)= -0.102460 trlgG= -0.126633 logG= -0.023685 TDE= -0.194796 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003145 tlogG= -0.043265 logG= -0.046410 logGD-logG0= -0.006303 tlogG= -0.086665 logG= -0.092968 logGD-logG0= -0.003008 tlogG= -0.044480 logG= -0.047488 Density= 0.289666 ETOT(band)= -0.204783 trlgG= -0.253218 logG= -0.047488 TDE= -0.389574 Density= 0.290615 ETOT(band)= -0.203030 trlgG= -0.250297 logG= -0.046410 TDE= -0.388333 Density= 0.581312 ETOT(band)= -0.406215 trlgG= -0.501286 logG= -0.092968 TDE= -0.777263 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003001 tlogG= -0.044376 logG= -0.047377 Density= 0.289635 ETOT(band)= -0.204749 trlgG= -0.253070 logG= -0.047377 TDE= -0.389518 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.007303 tlogG= -0.075273 logG= -0.082576 Density= 0.588808 ETOT(band)= -0.392057 trlgG= -0.480015 logG= -0.082576 TDE= -0.771142 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006694 tlogG= -0.081828 logG= -0.088522 Density= 0.584219 ETOT(band)= -0.400309 trlgG= -0.492104 logG= -0.088522 TDE= -0.774371 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006437 tlogG= -0.085398 logG= -0.091835 Density= 0.582228 ETOT(band)= -0.404627 trlgG= -0.499093 logG= -0.091835 TDE= -0.776785 logGD-logG0= -0.007098 tlogG= -0.077296 logG= -0.084394 Density= 0.587354 ETOT(band)= -0.394593 trlgG= -0.483881 logG= -0.084394 TDE= -0.772267 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003058 tlogG= -0.044293 logG= -0.047351 Density= 0.289991 ETOT(band)= -0.204300 trlgG= -0.252561 logG= -0.047351 TDE= -0.389261 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.006334 tlogG= -0.086253 logG= -0.092587 Density= 0.581492 ETOT(band)= -0.405702 trlgG= -0.500479 logG= -0.092587 TDE= -0.776951 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003278 tlogG= -0.042239 logG= -0.045517 Density= 0.291490 ETOT(band)= -0.201723 trlgG= -0.248825 logG= -0.045517 TDE= -0.388310 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003089 tlogG= -0.043981 logG= -0.047071 Density= 0.290214 ETOT(band)= -0.203913 trlgG= -0.251866 logG= -0.047071 TDE= -0.388987 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.006310 tlogG= -0.086439 logG= -0.092749 Density= 0.581498 ETOT(band)= -0.405970 trlgG= -0.500569 logG= -0.092749 TDE= -0.776883 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006646 tlogG= -0.082543 logG= -0.089189 Density= 0.583955 ETOT(band)= -0.401103 trlgG= -0.493379 logG= -0.089189 TDE= -0.774812 logGD-logG0= -0.006434 tlogG= -0.085207 logG= -0.091641 Density= 0.582379 ETOT(band)= -0.404389 trlgG= -0.498314 logG= -0.091641 TDE= -0.776295 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003167 tlogG= -0.043286 logG= -0.046453 Density= 0.290764 ETOT(band)= -0.203053 trlgG= -0.250714 logG= -0.046453 TDE= -0.388801 37) Finished k-point 75 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001180 tlogG= -0.012953 logG= -0.014133 Density= 0.097909 ETOT(band)= -0.065816 trlgG= -0.080778 logG= -0.014133 TDE= -0.128785 logGD-logG0= -0.006150 tlogG= -0.088105 logG= -0.094255 Density= 0.580289 ETOT(band)= -0.408137 trlgG= -0.504146 logG= -0.094255 TDE= -0.778187 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.006673 tlogG= -0.082722 logG= -0.089395 Density= 0.583960 ETOT(band)= -0.401322 trlgG= -0.493742 logG= -0.089395 TDE= -0.774972 logGD-logG0= -0.003131 tlogG= -0.043455 logG= -0.046586 Density= 0.290539 ETOT(band)= -0.203269 trlgG= -0.250694 logG= -0.046586 TDE= -0.388506 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003111 tlogG= -0.043779 logG= -0.046890 Density= 0.290381 ETOT(band)= -0.203700 trlgG= -0.251563 logG= -0.046890 TDE= -0.388971 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.006169 tlogG= -0.087841 logG= -0.094010 Density= 0.580453 ETOT(band)= -0.407890 trlgG= -0.503619 logG= -0.094010 TDE= -0.778009 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003351 tlogG= -0.041060 logG= -0.044411 Density= 0.292206 ETOT(band)= -0.200252 trlgG= -0.246319 logG= -0.044411 TDE= -0.387364 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003070 tlogG= -0.043969 logG= -0.047040 Density= 0.290150 ETOT(band)= -0.204031 trlgG= -0.251929 logG= -0.047040 TDE= -0.389041 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003220 tlogG= -0.042477 logG= -0.045697 Density= 0.291294 ETOT(band)= -0.202022 trlgG= -0.248774 logG= -0.045697 TDE= -0.387955 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003133 tlogG= -0.043539 logG= -0.046672 Density= 0.290559 ETOT(band)= -0.203405 trlgG= -0.251097 logG= -0.046672 TDE= -0.388836 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000122 tlogG= -0.001844 logG= -0.001966 Density= 0.084316 ETOT(band)= -0.059814 trlgG= -0.073887 logG= -0.001966 TDE= -0.016232 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.001466 tlogG= -0.022163 logG= -0.023629 Density= 0.240971 ETOT(band)= -0.170882 trlgG= -0.211124 logG= -0.023629 TDE= -0.194804 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000765 tlogG= -0.011075 logG= -0.011839 Density= 0.362561 ETOT(band)= -0.255178 trlgG= -0.315398 logG= -0.011839 TDE= -0.097305 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002979 tlogG= -0.044369 logG= -0.047348 Density= 0.386046 ETOT(band)= -0.273076 trlgG= -0.337463 logG= -0.047348 TDE= -0.389551 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003036 tlogG= -0.044419 logG= -0.047455 Density= 0.579775 ETOT(band)= -0.408991 trlgG= -0.505655 logG= -0.047455 TDE= -0.389444 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003071 tlogG= -0.043909 logG= -0.046980 Density= 0.387014 ETOT(band)= -0.271791 trlgG= -0.335423 logG= -0.046980 TDE= -0.388989 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001614 tlogG= -0.021372 logG= -0.022986 Density= 0.436858 ETOT(band)= -0.303283 trlgG= -0.374169 logG= -0.022986 TDE= -0.194286 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.004037 tlogG= -0.033982 logG= -0.038019 Density= 0.396948 ETOT(band)= -0.254436 trlgG= -0.309746 logG= -0.038019 TDE= -0.383568 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000742 tlogG= -0.011122 logG= -0.011864 Density= 0.361817 ETOT(band)= -0.256188 trlgG= -0.316709 logG= -0.011864 TDE= -0.097416 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003734 tlogG= -0.036802 logG= -0.040536 Density= 0.393927 ETOT(band)= -0.259244 trlgG= -0.317049 logG= -0.040536 TDE= -0.385212 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003139 tlogG= -0.043498 logG= -0.046638 Density= 0.871872 ETOT(band)= -0.609525 trlgG= -0.752300 logG= -0.046638 TDE= -0.388788 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.003625 tlogG= -0.037897 logG= -0.041522 Density= 0.440325 ETOT(band)= -0.296732 trlgG= -0.364374 logG= -0.041522 TDE= -0.385824 logGD-logG0= -0.003080 tlogG= -0.044053 logG= -0.047134 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.580428 ETOT(band)= -0.407671 trlgG= -0.503524 logG= -0.047134 TDE= -0.389006 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001518 tlogG= -0.022119 logG= -0.023637 Density= 0.434893 ETOT(band)= -0.306567 trlgG= -0.378743 logG= -0.023637 TDE= -0.194674 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003205 tlogG= -0.042894 logG= -0.046099 Density= 0.873231 ETOT(band)= -0.607177 trlgG= -0.749076 logG= -0.046099 TDE= -0.388576 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.000736 tlogG= -0.011097 logG= -0.011833 Density= 0.361586 ETOT(band)= -0.256289 trlgG= -0.316722 logG= -0.011833 TDE= -0.097409 57) Finished k-point 116 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003359 tlogG= -0.041385 logG= -0.044744 Density= 0.584488 ETOT(band)= -0.400490 trlgG= -0.492760 logG= -0.044744 TDE= -0.387783 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000750 tlogG= -0.011134 logG= -0.011884 Density= 0.362066 ETOT(band)= -0.256002 trlgG= -0.316560 logG= -0.011884 TDE= -0.097408 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000762 tlogG= -0.011100 logG= -0.011862 Density= 0.362469 ETOT(band)= -0.255409 trlgG= -0.315762 logG= -0.011862 TDE= -0.097339 logGD-logG0= -0.003672 tlogG= -0.037307 logG= -0.040979 Density= 0.586867 ETOT(band)= -0.396037 trlgG= -0.486377 logG= -0.040979 TDE= -0.385457 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003488 tlogG= -0.039565 logG= -0.043052 Density= 0.587187 ETOT(band)= -0.395162 trlgG= -0.484683 logG= -0.043052 TDE= -0.386555 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003715 tlogG= -0.037011 logG= -0.040725 Density= 0.590955 ETOT(band)= -0.388386 trlgG= -0.474478 logG= -0.040725 TDE= -0.385184 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003500 tlogG= -0.039747 logG= -0.043248 logGD-logG0= -0.001716 tlogG= -0.020403 logG= -0.022119 Density= 0.438819 ETOT(band)= -0.299638 trlgG= -0.368678 logG= -0.022119 TDE= -0.193776 Density= 0.586721 ETOT(band)= -0.395958 trlgG= -0.485486 logG= -0.043248 TDE= -0.386585 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003438 tlogG= -0.039804 logG= -0.043242 Density= 0.584507 ETOT(band)= -0.400094 trlgG= -0.492298 logG= -0.043242 TDE= -0.386705 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006643 tlogG= -0.083345 logG= -0.089988 Density= 1.167917 ETOT(band)= -0.802546 trlgG= -0.987721 logG= -0.089988 TDE= -0.775778 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.007592 tlogG= -0.072259 logG= -0.079851 logGD-logG0= -0.001096 tlogG= -0.013903 logG= -0.014999 Density= 0.888080 ETOT(band)= -0.580238 trlgG= -0.708606 logG= -0.079851 TDE= -0.769595 Density= 0.169716 ETOT(band)= -0.118183 trlgG= -0.145779 logG= -0.014999 TDE= -0.129228 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006019 tlogG= -0.088644 logG= -0.094663 Density= 0.869307 ETOT(band)= -0.613691 trlgG= -0.758296 logG= -0.094663 TDE= -0.778907 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006799 tlogG= -0.081957 logG= -0.088756 Density= 1.169987 ETOT(band)= -0.798965 trlgG= -0.982361 logG= -0.088756 TDE= -0.775098 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002958 tlogG= -0.044391 logG= -0.047349 Density= 0.434052 ETOT(band)= -0.307444 trlgG= -0.379957 logG= -0.047349 TDE= -0.389611 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003154 tlogG= -0.043300 logG= -0.046455 Density= 0.872140 ETOT(band)= -0.608760 trlgG= -0.751103 logG= -0.046455 TDE= -0.388637 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003017 tlogG= -0.044412 logG= -0.047429 Density= 0.579592 ETOT(band)= -0.409194 trlgG= -0.505816 logG= -0.047429 TDE= -0.389502 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002986 tlogG= -0.044426 logG= -0.047411 Density= 0.579163 ETOT(band)= -0.409614 trlgG= -0.506308 logG= -0.047411 TDE= -0.389584 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006228 tlogG= -0.087174 logG= -0.093402 Density= 0.871814 ETOT(band)= -0.609806 trlgG= -0.751907 logG= -0.093402 TDE= -0.777343 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003068 tlogG= -0.044177 logG= -0.047244 Density= 0.580279 ETOT(band)= -0.408071 trlgG= -0.504168 logG= -0.047244 TDE= -0.389156 logGD-logG0= -0.006373 tlogG= -0.085722 logG= -0.092095 Density= 0.873268 ETOT(band)= -0.606702 trlgG= -0.747382 logG= -0.092095 TDE= -0.776386 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.006405 tlogG= -0.085238 logG= -0.091643 Density= 0.873538 ETOT(band)= -0.605808 trlgG= -0.745926 logG= -0.091643 TDE= -0.776016 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.006226 tlogG= -0.087376 logG= -0.093601 Density= 0.871358 ETOT(band)= -0.610091 trlgG= -0.752710 logG= -0.093601 TDE= -0.777395 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003225 tlogG= -0.042632 logG= -0.045857 Density= 0.873595 ETOT(band)= -0.606213 trlgG= -0.747553 logG= -0.045857 TDE= -0.388400 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006822 tlogG= -0.080737 logG= -0.087559 Density= 1.172072 ETOT(band)= -0.794604 trlgG= -0.975900 logG= -0.087559 TDE= -0.773992 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.006555 tlogG= -0.083683 logG= -0.090238 Density= 0.875687 ETOT(band)= -0.602513 trlgG= -0.741484 logG= -0.090238 TDE= -0.775402 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.007066 tlogG= -0.078132 logG= -0.085198 Density= 1.175599 ETOT(band)= -0.787789 trlgG= -0.965286 logG= -0.085198 TDE= -0.772495 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006559 tlogG= -0.083657 logG= -0.090216 Density= 1.167351 ETOT(band)= -0.802854 trlgG= -0.987515 logG= -0.090216 TDE= -0.775295 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006887 tlogG= -0.079867 logG= -0.086755 Density= 1.172952 ETOT(band)= -0.792456 trlgG= -0.972418 logG= -0.086755 TDE= -0.773447 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003065 tlogG= -0.044169 logG= -0.047235 Density= 0.870352 ETOT(band)= -0.612357 trlgG= -0.756494 logG= -0.047235 TDE= -0.389209 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003409 tlogG= -0.040234 logG= -0.043643 Density= 0.584157 ETOT(band)= -0.400967 trlgG= -0.493690 logG= -0.043643 TDE= -0.386972 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003442 tlogG= -0.039978 logG= -0.043420 Density= 0.390858 ETOT(band)= -0.264687 trlgG= -0.325174 logG= -0.043420 TDE= -0.386904 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.006516 tlogG= -0.084263 logG= -0.090778 Density= 1.166841 ETOT(band)= -0.804342 trlgG= -0.989924 logG= -0.090778 TDE= -0.775711 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006585 tlogG= -0.084024 logG= -0.090609 Density= 1.167182 ETOT(band)= -0.804225 trlgG= -0.990385 logG= -0.090609 TDE= -0.776192 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003282 tlogG= -0.041953 logG= -0.045236 Density= 0.583836 ETOT(band)= -0.401630 trlgG= -0.494285 logG= -0.045236 TDE= -0.387821 logGD-logG0= -0.006200 tlogG= -0.087689 logG= -0.093889 Density= 0.871130 ETOT(band)= -0.610760 trlgG= -0.753813 logG= -0.093889 TDE= -0.777717 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003073 tlogG= -0.044040 logG= -0.047113 Density= 0.870593 ETOT(band)= -0.611998 trlgG= -0.755716 logG= -0.047113 TDE= -0.389128 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.006088 tlogG= -0.088441 logG= -0.094529 Density= 0.870021 ETOT(band)= -0.612807 trlgG= -0.757033 logG= -0.094529 TDE= -0.778605 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006244 tlogG= -0.087267 logG= -0.093511 Density= 1.162446 ETOT(band)= -0.812998 trlgG= -1.003029 logG= -0.093511 TDE= -0.777663 38) Finished k-point 78 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003207 tlogG= -0.042596 logG= -0.045803 Density= 0.581932 ETOT(band)= -0.405241 trlgG= -0.499728 logG= -0.045803 TDE= -0.388009 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006360 tlogG= -0.086218 logG= -0.092579 Density= 1.164124 ETOT(band)= -0.810051 trlgG= -0.998938 logG= -0.092579 TDE= -0.777265 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003105 tlogG= -0.043722 logG= -0.046827 Density= 0.580756 ETOT(band)= -0.407340 trlgG= -0.502867 logG= -0.046827 TDE= -0.388771 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001560 tlogG= -0.021843 logG= -0.023403 Density= 0.435788 ETOT(band)= -0.305205 trlgG= -0.376816 logG= -0.023403 TDE= -0.194489 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003166 tlogG= -0.043116 logG= -0.046283 Density= 0.582144 ETOT(band)= -0.404876 trlgG= -0.498891 logG= -0.046283 TDE= -0.388430 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Sum of eigenvalues= -385.436231649296 eV TrLogG= -474.717000412096 eV Ratio to renormalize= 1.000090802125 rho-rho_expected=-0.003722549128 nargs= 1 argi=dmft2.def 57) Finished k-point number 115 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 42) Finished k-point number 85 1 with #bands= 19 39) Finished k-point number 79 1 with #bands= 19 10) Finished k-point number 21 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 25) Finished k-point number 51 1 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 48) Finished k-point number 97 1 with #bands= 19 23) Finished k-point number 47 1 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 15) Finished k-point number 31 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 5) Finished k-point number 11 1 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 21) Finished k-point number 44 2 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 53) Finished k-point number 108 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 22) Finished k-point number 45 1 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 13) Finished k-point number 28 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 16) Finished k-point number 33 1 with #bands= 19 12) Finished k-point number 25 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 19 22) Finished k-point number 46 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 16) Finished k-point number 34 2 with #bands= 19 46) Finished k-point number 94 2 with #bands= 19 1) Finished k-point number 3 1 with #bands= 20 12) Finished k-point number 26 2 with #bands= 19 36) Finished k-point number 73 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 59) Finished k-point number 119 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 0) Finished k-point number 2 2 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 20) Finished k-point number 42 2 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 37) Finished k-point number 75 1 with #bands= 19 37) Finished k-point number 76 2 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 8) Finished k-point number 17 1 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.866680572160960 0.873695577363842 0.852292828121496 58) Finished k-point number 117 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 19 18) Finished k-point number 37 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 55) Finished k-point number 111 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 41) Finished k-point number 83 1 with #bands= 19 50) Finished k-point number 101 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 19 37) Finished k-point number 75 1 with #bands= 19 32) Finished k-point number 65 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 17) Finished k-point number 35 1 with #bands= 19 4) Finished k-point number 9 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 1) Finished k-point number 3 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 21) Finished k-point number 43 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 7) Finished k-point number 15 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 46) Finished k-point number 94 2 with #bands= 19 41) Finished k-point number 84 2 with #bands= 19 0) Finished k-point number 2 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 30) Finished k-point number 62 2 with #bands= 19 58) Finished k-point number 118 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 19 18) Finished k-point number 38 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 32) Finished k-point number 66 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 19 40) Finished k-point number 82 2 with #bands= 19 37) Finished k-point number 76 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 4) Finished k-point number 10 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 21) Finished k-point number 44 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 2) Finished k-point number 6 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 47) Finished k-point number 96 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 8.63520995191547 Density= 41.1375144660447 41.0000000000000 EF 8.36309611980189 Density= 40.9859300299604 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.63467628 0.61467628 0.137514 -0.140700E-01 1 0.62467628 0.61467630 0.587437E-01 -0.140700E-01 2 0.61967629 0.61467605 0.216937E-01 -0.140700E-01 3 0.61717617 0.61467618 0.365209E-02 -0.140700E-01 4 0.61666457 0.61717617 -0.468371E-06 0.365209E-02 5 0.61666464 0.61717617 -0.852417E-09 0.365209E-02 6 0.61666464 0.61717617 -0.213163E-13 0.365209E-02 Absolute convergence of |F(X)|. Difference in EF too large to mix -0.245060858290156 cutoff= 2.9999999E-02 Difference in EF= -0.2450608583 EF set to : 8.3901490936 new EF (no-mixing): 8.3901490936 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.003046 tlogG= -0.042897 logG= -0.045944 Density= 0.289818 ETOT(band)= -0.206342 trlgG= -0.253268 logG= -0.045944 TDE= -0.386045 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001393 tlogG= -0.010513 logG= -0.011906 Density= 0.099485 ETOT(band)= -0.063888 trlgG= -0.077072 logG= -0.011906 TDE= -0.126515 logGD-logG0= -0.001042 tlogG= -0.014040 logG= -0.015081 Density= 0.096825 ETOT(band)= -0.068421 trlgG= -0.083785 logG= -0.015081 TDE= -0.128412 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003103 tlogG= -0.042547 logG= -0.045650 Density= 0.290172 ETOT(band)= -0.205720 trlgG= -0.252325 logG= -0.045650 TDE= -0.385614 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.006194 tlogG= -0.085002 logG= -0.091195 Density= 0.580379 ETOT(band)= -0.411537 trlgG= -0.504586 logG= -0.091195 TDE= -0.771290 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003071 tlogG= -0.042863 logG= -0.045934 Density= 0.289948 ETOT(band)= -0.206108 trlgG= -0.253024 logG= -0.045934 TDE= -0.385891 logGD-logG0= -0.003116 tlogG= -0.042392 logG= -0.045507 Density= 0.290246 ETOT(band)= -0.205503 trlgG= -0.251968 logG= -0.045507 TDE= -0.385445 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000734 tlogG= -0.010731 logG= -0.011465 Density= 0.072262 ETOT(band)= -0.051734 trlgG= -0.063474 logG= -0.011465 TDE= -0.096571 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001295 tlogG= -0.011352 logG= -0.012647 Density= 0.098764 ETOT(band)= -0.064991 trlgG= -0.078763 logG= -0.012647 TDE= -0.127020 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003900 tlogG= -0.033880 logG= -0.037781 Density= 0.296225 ETOT(band)= -0.194873 trlgG= -0.235987 logG= -0.037781 TDE= -0.380878 logGD-logG0= -0.001492 tlogG= -0.021505 logG= -0.022997 Density= 0.144696 ETOT(band)= -0.103383 trlgG= -0.126899 logG= -0.022997 TDE= -0.193132 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001186 tlogG= -0.012462 logG= -0.013648 Density= 0.097916 ETOT(band)= -0.066414 trlgG= -0.080904 logG= -0.013648 TDE= -0.127638 logGD-logG0= -0.003967 tlogG= -0.033281 logG= -0.037247 Density= 0.296899 ETOT(band)= -0.193978 trlgG= -0.234746 logG= -0.037247 TDE= -0.380586 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003013 tlogG= -0.042978 logG= -0.045991 Density= 0.289595 ETOT(band)= -0.206586 trlgG= -0.253587 logG= -0.045991 TDE= -0.386179 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003406 tlogG= -0.039752 logG= -0.043158 Density= 0.292159 ETOT(band)= -0.202272 trlgG= -0.247380 logG= -0.043158 TDE= -0.384387 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003058 tlogG= -0.042907 logG= -0.045965 Density= 0.289883 ETOT(band)= -0.206252 trlgG= -0.253199 logG= -0.045965 TDE= -0.385995 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003183 tlogG= -0.041847 logG= -0.045029 Density= 0.290725 ETOT(band)= -0.204866 trlgG= -0.251171 logG= -0.045029 TDE= -0.385421 logGD-logG0= -0.003613 tlogG= -0.037017 logG= -0.040631 Density= 0.293735 ETOT(band)= -0.199008 trlgG= -0.241939 logG= -0.040631 TDE= -0.382444 37) Finished k-point 75 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003083 tlogG= -0.042740 logG= -0.045822 Density= 0.290021 ETOT(band)= -0.205913 trlgG= -0.252712 logG= -0.045822 TDE= -0.385736 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003474 tlogG= -0.039033 logG= -0.042507 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 Density= 0.292592 ETOT(band)= -0.201425 trlgG= -0.245974 logG= -0.042507 TDE= -0.383898 logGD-logG0= -0.003326 tlogG= -0.040436 logG= -0.043762 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.291647 ETOT(band)= -0.203117 trlgG= -0.248625 logG= -0.043762 TDE= -0.384713 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006511 tlogG= -0.081929 logG= -0.088440 Density= 0.582398 ETOT(band)= -0.407575 trlgG= -0.498916 logG= -0.088440 TDE= -0.769620 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003277 tlogG= -0.040389 logG= -0.043666 logGD-logG0= -0.006772 tlogG= -0.079018 logG= -0.085791 Density= 0.584294 ETOT(band)= -0.404035 trlgG= -0.493167 logG= -0.085791 TDE= -0.767690 Density= 0.291450 ETOT(band)= -0.203114 trlgG= -0.248069 logG= -0.043666 TDE= -0.384131 logGD-logG0= -0.006363 tlogG= -0.083348 logG= -0.089712 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.581409 ETOT(band)= -0.409300 trlgG= -0.501329 logG= -0.089712 TDE= -0.770152 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003371 tlogG= -0.039469 logG= -0.042840 Density= 0.292300 ETOT(band)= -0.201864 trlgG= -0.246501 logG= -0.042840 TDE= -0.383912 logGD-logG0= -0.003045 tlogG= -0.042753 logG= -0.045798 Density= 0.289861 ETOT(band)= -0.206212 trlgG= -0.252968 logG= -0.045798 TDE= -0.385916 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.007349 tlogG= -0.072270 logG= -0.079619 logGD-logG0= -0.006943 tlogG= -0.077474 logG= -0.084417 Density= 0.585389 ETOT(band)= -0.402154 trlgG= -0.490331 logG= -0.084417 TDE= -0.766903 logGD-logG0= -0.002963 tlogG= -0.043011 logG= -0.045974 Density= 0.289239 ETOT(band)= -0.206876 trlgG= -0.253916 logG= -0.045974 TDE= -0.386305 Density= 0.588863 ETOT(band)= -0.395619 trlgG= -0.480702 logG= -0.079619 TDE= -0.764214 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003258 tlogG= -0.041089 logG= -0.044347 Density= 0.291246 ETOT(band)= -0.203913 trlgG= -0.249741 logG= -0.044347 TDE= -0.384995 logGD-logG0= -0.003021 tlogG= -0.043075 logG= -0.046096 Density= 0.289625 ETOT(band)= -0.206614 trlgG= -0.253724 logG= -0.046096 TDE= -0.386229 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006679 tlogG= -0.079622 logG= -0.086301 logGD-logG0= -0.003622 tlogG= -0.036727 logG= -0.040348 Density= 0.294094 ETOT(band)= -0.198501 trlgG= -0.241469 logG= -0.040348 TDE= -0.382478 logGD-logG0= -0.002990 tlogG= -0.043068 logG= -0.046058 Density= 0.289425 ETOT(band)= -0.206779 trlgG= -0.253875 logG= -0.046058 TDE= -0.386295 Density= 0.583917 ETOT(band)= -0.404704 trlgG= -0.494159 logG= -0.086301 TDE= -0.767939 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006728 tlogG= -0.078887 logG= -0.085615 logGD-logG0= -0.003057 tlogG= -0.042743 logG= -0.045800 Density= 0.289918 ETOT(band)= -0.206165 trlgG= -0.252922 logG= -0.045800 TDE= -0.385904 Density= 0.584174 ETOT(band)= -0.403901 trlgG= -0.492854 logG= -0.085615 TDE= -0.767479 logGD-logG0= -0.007137 tlogG= -0.074320 logG= -0.081457 Density= 0.587373 ETOT(band)= -0.398171 trlgG= -0.484601 logG= -0.081457 TDE= -0.765356 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.007060 tlogG= -0.075356 logG= -0.082416 Density= 0.586889 ETOT(band)= -0.399342 trlgG= -0.486513 logG= -0.082416 TDE= -0.766011 logGD-logG0= -0.003159 tlogG= -0.041816 logG= -0.044975 Density= 0.290574 ETOT(band)= -0.204828 trlgG= -0.250725 logG= -0.044975 TDE= -0.384936 22) Finished k-point 45 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001682 tlogG= -0.020077 logG= -0.021759 Density= 0.145952 ETOT(band)= -0.101377 trlgG= -0.124064 logG= -0.021759 TDE= -0.192308 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003083 tlogG= -0.042554 logG= -0.045637 Density= 0.290114 ETOT(band)= -0.205855 trlgG= -0.252418 logG= -0.045637 TDE= -0.385684 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003428 tlogG= -0.039189 logG= -0.042616 Density= 0.292431 ETOT(band)= -0.201605 trlgG= -0.246001 logG= -0.042616 TDE= -0.383716 20) Finished k-point 41 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003147 tlogG= -0.042110 logG= -0.045257 Density= 0.290522 ETOT(band)= -0.205224 trlgG= -0.251564 logG= -0.045257 TDE= -0.385461 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000760 tlogG= -0.010774 logG= -0.011533 Density= 0.072434 ETOT(band)= -0.051625 trlgG= -0.063409 logG= -0.011533 TDE= -0.096544 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003258 tlogG= -0.040691 logG= -0.043949 Density= 0.291359 ETOT(band)= -0.203446 trlgG= -0.248612 logG= -0.043949 TDE= -0.384334 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006709 tlogG= -0.079789 logG= -0.086498 Density= 0.583921 ETOT(band)= -0.404919 trlgG= -0.494592 logG= -0.086498 TDE= -0.768176 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003125 tlogG= -0.042349 logG= -0.045474 Density= 0.290340 ETOT(band)= -0.205516 trlgG= -0.252024 logG= -0.045474 TDE= -0.385593 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.003234 tlogG= -0.041039 logG= -0.044273 Density= 0.291273 ETOT(band)= -0.203833 trlgG= -0.249198 logG= -0.044273 TDE= -0.384543 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003173 tlogG= -0.041655 logG= -0.044828 Density= 0.290827 ETOT(band)= -0.204635 trlgG= -0.250343 logG= -0.044828 TDE= -0.384857 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000984 tlogG= -0.014323 logG= -0.015306 Density= 0.096385 ETOT(band)= -0.068967 trlgG= -0.084633 logG= -0.015306 TDE= -0.128764 logGD-logG0= -0.003368 tlogG= -0.039601 logG= -0.042969 Density= 0.292194 ETOT(band)= -0.202055 trlgG= -0.246714 logG= -0.042969 TDE= -0.383930 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.006337 tlogG= -0.083571 logG= -0.089908 Density= 0.581432 ETOT(band)= -0.409595 trlgG= -0.501475 logG= -0.089908 TDE= -0.770115 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003296 tlogG= -0.040776 logG= -0.044072 logGD-logG0= -0.006465 tlogG= -0.082321 logG= -0.088785 Density= 0.291462 ETOT(band)= -0.203522 trlgG= -0.249258 logG= -0.044072 TDE= -0.384920 Density= 0.582321 ETOT(band)= -0.408008 trlgG= -0.499211 logG= -0.088785 TDE= -0.769523 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001004 tlogG= -0.014299 logG= -0.015304 Density= 0.096542 ETOT(band)= -0.068835 trlgG= -0.084471 logG= -0.015304 TDE= -0.128701 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003145 tlogG= -0.042015 logG= -0.045160 Density= 0.290500 ETOT(band)= -0.205074 trlgG= -0.251144 logG= -0.045160 TDE= -0.385125 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006331 tlogG= -0.083779 logG= -0.090111 Density= 0.581233 ETOT(band)= -0.409828 trlgG= -0.502166 logG= -0.090111 TDE= -0.770481 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006469 tlogG= -0.082493 logG= -0.088962 Density= 0.582157 ETOT(band)= -0.408235 trlgG= -0.499971 logG= -0.088962 TDE= -0.770005 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006176 tlogG= -0.085258 logG= -0.091434 Density= 0.580209 ETOT(band)= -0.411771 trlgG= -0.505103 logG= -0.091434 TDE= -0.771463 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.000122 tlogG= -0.001787 logG= -0.001909 Density= 0.084304 ETOT(band)= -0.060357 trlgG= -0.074052 logG= -0.001909 TDE= -0.016095 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.000765 tlogG= -0.010743 logG= -0.011508 Density= 0.362416 ETOT(band)= -0.257668 trlgG= -0.316341 logG= -0.011508 TDE= -0.096497 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003087 tlogG= -0.042622 logG= -0.045709 Density= 0.870478 ETOT(band)= -0.617469 trlgG= -0.757172 logG= -0.045709 TDE= -0.385771 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.003081 tlogG= -0.042745 logG= -0.045826 Density= 0.580195 ETOT(band)= -0.411686 trlgG= -0.505089 logG= -0.045826 TDE= -0.385785 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003093 tlogG= -0.042613 logG= -0.045706 Density= 0.580343 ETOT(band)= -0.411270 trlgG= -0.504408 logG= -0.045706 TDE= -0.385626 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000768 tlogG= -0.010716 logG= -0.011484 Density= 0.362507 ETOT(band)= -0.257427 trlgG= -0.315956 logG= -0.011484 TDE= -0.096460 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002970 tlogG= -0.043007 logG= -0.045977 Density= 0.433992 ETOT(band)= -0.310216 trlgG= -0.380764 logG= -0.045977 TDE= -0.386286 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003084 tlogG= -0.042496 logG= -0.045580 Density= 0.386972 ETOT(band)= -0.274223 trlgG= -0.336076 logG= -0.045580 TDE= -0.385634 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001622 tlogG= -0.020647 logG= -0.022269 Density= 0.436809 ETOT(band)= -0.305994 trlgG= -0.374840 logG= -0.022269 TDE= -0.192594 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003242 tlogG= -0.041171 logG= -0.044412 Density= 0.873484 ETOT(band)= -0.611606 trlgG= -0.748828 logG= -0.044412 TDE= -0.385003 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.003029 tlogG= -0.043006 logG= -0.046036 Density= 0.579512 ETOT(band)= -0.412853 trlgG= -0.506816 logG= -0.046036 TDE= -0.386155 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002998 tlogG= -0.043032 logG= -0.046030 Density= 0.579083 ETOT(band)= -0.413291 trlgG= -0.507348 logG= -0.046030 TDE= -0.386248 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004067 tlogG= -0.032444 logG= -0.036511 Density= 0.397091 ETOT(band)= -0.256777 trlgG= -0.310144 logG= -0.036511 TDE= -0.380083 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003757 tlogG= -0.035304 logG= -0.039060 Density= 0.394002 ETOT(band)= -0.261617 trlgG= -0.317514 logG= -0.039060 TDE= -0.381754 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003740 tlogG= -0.035496 logG= -0.039236 Density= 0.591053 ETOT(band)= -0.391930 trlgG= -0.475122 logG= -0.039236 TDE= -0.381710 1) Finished k-point 4 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001567 tlogG= -0.021129 logG= -0.022697 Density= 0.435730 ETOT(band)= -0.307934 trlgG= -0.377518 logG= -0.022697 TDE= -0.192802 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003169 tlogG= -0.041849 logG= -0.045018 Density= 0.872014 ETOT(band)= -0.614157 trlgG= -0.752380 logG= -0.045018 TDE= -0.385238 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.000753 tlogG= -0.010783 logG= -0.011536 Density= 0.362014 ETOT(band)= -0.258291 trlgG= -0.317193 logG= -0.011536 TDE= -0.096573 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003694 tlogG= -0.035809 logG= -0.039503 Density= 0.586893 ETOT(band)= -0.399600 trlgG= -0.487129 logG= -0.039503 TDE= -0.381997 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003459 tlogG= -0.038513 logG= -0.041972 Density= 0.390868 ETOT(band)= -0.267084 trlgG= -0.325690 logG= -0.041972 TDE= -0.383467 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000745 tlogG= -0.010774 logG= -0.011520 Density= 0.361765 ETOT(band)= -0.258491 trlgG= -0.317368 logG= -0.011520 TDE= -0.096584 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000739 tlogG= -0.010752 logG= -0.011491 Density= 0.361534 ETOT(band)= -0.258604 trlgG= -0.317404 logG= -0.011491 TDE= -0.096580 57) Finished k-point 116 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.007641 tlogG= -0.069238 logG= -0.076879 logGD-logG0= -0.001729 tlogG= -0.019652 logG= -0.021381 Density= 0.438822 ETOT(band)= -0.302294 trlgG= -0.369252 logG= -0.021381 TDE= -0.192072 Density= 0.888285 ETOT(band)= -0.585554 trlgG= -0.709598 logG= -0.076879 TDE= -0.762660 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003455 tlogG= -0.038326 logG= -0.041782 Density= 0.584473 ETOT(band)= -0.403679 trlgG= -0.493086 logG= -0.041782 TDE= -0.383254 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003525 tlogG= -0.038243 logG= -0.041768 Density= 0.586737 ETOT(band)= -0.399508 trlgG= -0.486197 logG= -0.041768 TDE= -0.383174 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006043 tlogG= -0.085845 logG= -0.091888 Density= 0.869194 ETOT(band)= -0.619192 trlgG= -0.759826 logG= -0.091888 TDE= -0.772225 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001101 tlogG= -0.013422 logG= -0.014522 Density= 0.169701 ETOT(band)= -0.119240 trlgG= -0.146037 logG= -0.014522 TDE= -0.128087 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003508 tlogG= -0.038081 logG= -0.041589 Density= 0.587213 ETOT(band)= -0.398739 trlgG= -0.485405 logG= -0.041589 TDE= -0.383103 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003645 tlogG= -0.036411 logG= -0.040056 Density= 0.440348 ETOT(band)= -0.299415 trlgG= -0.364949 logG= -0.040056 TDE= -0.382373 logGD-logG0= -0.001472 tlogG= -0.021476 logG= -0.022948 Density= 0.240936 ETOT(band)= -0.172430 trlgG= -0.211589 logG= -0.022948 TDE= -0.193147 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006682 tlogG= -0.080396 logG= -0.087078 Density= 1.167836 ETOT(band)= -0.809711 trlgG= -0.989379 logG= -0.087078 TDE= -0.768983 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006435 tlogG= -0.082326 logG= -0.088761 logGD-logG0= -0.001524 tlogG= -0.021416 logG= -0.022940 Density= 0.434835 ETOT(band)= -0.309313 trlgG= -0.379497 logG= -0.022940 TDE= -0.193001 Density= 0.873430 ETOT(band)= -0.611202 trlgG= -0.747146 logG= -0.088761 TDE= -0.769203 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003380 tlogG= -0.039908 logG= -0.043288 Density= 0.584465 ETOT(band)= -0.404069 trlgG= -0.493589 logG= -0.043288 TDE= -0.384388 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006926 tlogG= -0.076904 logG= -0.083830 Density= 1.172955 ETOT(band)= -0.799615 trlgG= -0.973865 logG= -0.083830 TDE= -0.766542 logGD-logG0= -0.007111 tlogG= -0.075141 logG= -0.082252 Density= 1.175668 ETOT(band)= -0.794918 trlgG= -0.966665 logG= -0.082252 TDE= -0.765573 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006548 tlogG= -0.081352 logG= -0.087899 Density= 1.166744 ETOT(band)= -0.811548 trlgG= -0.991568 logG= -0.087899 TDE= -0.768919 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006844 tlogG= -0.078979 logG= -0.085823 Density= 1.169967 ETOT(band)= -0.806090 trlgG= -0.983960 logG= -0.085823 TDE= -0.768294 logGD-logG0= -0.006253 tlogG= -0.084486 logG= -0.090739 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.871233 ETOT(band)= -0.615488 trlgG= -0.754013 logG= -0.090739 TDE= -0.770621 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006858 tlogG= -0.077795 logG= -0.084653 Density= 1.172076 ETOT(band)= -0.801785 trlgG= -0.977407 logG= -0.084653 TDE= -0.767105 logGD-logG0= -0.006592 tlogG= -0.080726 logG= -0.087319 logGD-logG0= -0.006586 tlogG= -0.080786 logG= -0.087372 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.875642 ETOT(band)= -0.607929 trlgG= -0.742696 logG= -0.087372 TDE= -0.768550 Density= 1.167243 ETOT(band)= -0.810040 trlgG= -0.989101 logG= -0.087319 TDE= -0.768486 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006113 tlogG= -0.085619 logG= -0.091732 Density= 0.869907 ETOT(band)= -0.618284 trlgG= -0.758515 logG= -0.091732 TDE= -0.771903 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006621 tlogG= -0.081097 logG= -0.087718 Density= 1.167092 ETOT(band)= -0.811419 trlgG= -0.992099 logG= -0.087718 TDE= -0.769411 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006402 tlogG= -0.082829 logG= -0.089231 Density= 0.873170 ETOT(band)= -0.612113 trlgG= -0.748654 logG= -0.089231 TDE= -0.769594 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003049 tlogG= -0.043002 logG= -0.046051 Density= 0.579692 ETOT(band)= -0.412629 trlgG= -0.506622 logG= -0.046051 TDE= -0.386087 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003118 tlogG= -0.042295 logG= -0.045413 Density= 0.580678 ETOT(band)= -0.410971 trlgG= -0.503801 logG= -0.045413 TDE= -0.385406 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002991 tlogG= -0.042979 logG= -0.045970 Density= 0.385995 ETOT(band)= -0.275531 trlgG= -0.338164 logG= -0.045970 TDE= -0.386219 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003154 tlogG= -0.042057 logG= -0.045211 Density= 0.871751 ETOT(band)= -0.614944 trlgG= -0.753622 logG= -0.045211 TDE= -0.385398 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.003426 tlogG= -0.038766 logG= -0.042192 Density= 0.584124 ETOT(band)= -0.404564 trlgG= -0.494507 logG= -0.042192 TDE= -0.383531 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003221 tlogG= -0.041443 logG= -0.044664 Density= 0.873123 ETOT(band)= -0.612590 trlgG= -0.750394 logG= -0.044664 TDE= -0.385188 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.006227 tlogG= -0.084817 logG= -0.091044 Density= 0.871009 ETOT(band)= -0.616179 trlgG= -0.755177 logG= -0.091044 TDE= -0.770969 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003222 tlogG= -0.041155 logG= -0.044377 Density= 0.581867 ETOT(band)= -0.408863 trlgG= -0.500613 logG= -0.044377 TDE= -0.384602 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006254 tlogG= -0.084328 logG= -0.090583 Density= 0.871723 ETOT(band)= -0.615259 trlgG= -0.753313 logG= -0.090583 TDE= -0.770606 45) Finished k-point 92 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003299 tlogG= -0.040499 logG= -0.043798 Density= 0.583799 ETOT(band)= -0.405238 trlgG= -0.495120 logG= -0.043798 TDE= -0.384431 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003180 tlogG= -0.041684 logG= -0.044865 Density= 0.582093 ETOT(band)= -0.408502 trlgG= -0.499775 logG= -0.044865 TDE= -0.385050 43) Finished k-point 88 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006272 tlogG= -0.084406 logG= -0.090678 Density= 1.162302 ETOT(band)= -0.820253 trlgG= -1.004853 logG= -0.090678 TDE= -0.770903 38) Finished k-point 78 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006391 tlogG= -0.083338 logG= -0.089729 Density= 1.163993 ETOT(band)= -0.817296 trlgG= -1.000745 logG= -0.089729 TDE= -0.770502 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003078 tlogG= -0.042747 logG= -0.045826 Density= 0.870231 ETOT(band)= -0.617809 trlgG= -0.757931 logG= -0.045826 TDE= -0.385848 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 Sum of eigenvalues= -388.888046855557 eV TrLogG= -475.516503398108 eV Ratio to renormalize= 1.000160720744 rho-rho_expected=-0.006588491582 nargs= 1 argi=dmft2.def 51) Finished k-point number 103 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 19 52) Finished k-point number 105 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 53) Finished k-point number 107 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 19 51) Finished k-point number 104 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 6) Finished k-point number 13 1 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 57) Finished k-point number 115 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 6) Finished k-point number 14 2 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 33) Finished k-point number 68 2 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 34) Finished k-point number 69 1 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 27) Finished k-point number 56 2 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 26) Finished k-point number 53 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 26) Finished k-point number 54 2 with #bands= 19 10) Finished k-point number 22 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 8) Finished k-point number 17 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 14) Finished k-point number 30 2 with #bands= 19 56) Finished k-point number 113 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 36) Finished k-point number 73 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 31) Finished k-point number 64 2 with #bands= 19 45) Finished k-point number 91 1 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 16) Finished k-point number 34 2 with #bands= 19 1) Finished k-point number 3 1 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 50) Finished k-point number 102 2 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 9) Finished k-point number 19 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 9) Finished k-point number 20 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 24) Finished k-point number 49 1 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.865537196262852 0.872605351619288 0.851019987501008 0) Finished k-point number 1 1 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 42) Finished k-point number 85 1 with #bands= 19 58) Finished k-point number 117 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 19 18) Finished k-point number 37 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 19 59) Finished k-point number 119 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 16) Finished k-point number 33 1 with #bands= 19 40) Finished k-point number 81 1 with #bands= 19 45) Finished k-point number 91 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 43) Finished k-point number 87 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 30) Finished k-point number 61 1 with #bands= 19 19) Finished k-point number 39 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 36) Finished k-point number 73 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 2) Finished k-point number 6 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 34) Finished k-point number 70 2 with #bands= 19 37) Finished k-point number 76 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 16) Finished k-point number 34 2 with #bands= 19 31) Finished k-point number 64 2 with #bands= 19 45) Finished k-point number 92 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 43) Finished k-point number 88 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 32) Finished k-point number 66 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 55) Finished k-point number 112 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 48) Finished k-point number 98 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 33) Finished k-point number 68 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 54) Finished k-point number 110 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 8.39014909362531 Density= 40.8459154289386 41.0000000000000 EF 8.66226292573890 Density= 41.2083410094211 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.63666464 0.61666464 0.208341 -0.154085 1 0.62666464 0.61666466 0.576777E-01 -0.154085 2 0.62347135 0.62666464 -0.420715E-05 0.576777E-01 3 0.62347158 0.62347135 0.439204E-06 -0.420715E-05 4 0.62347156 0.62347135 0.272848E-11 -0.420715E-05 Absolute convergence of |F(X)|. Difference in EF too large to mix 9.261287064904099E-002 cutoff= 2.9999999E-02 Difference in EF= 0.0926128706 EF set to : 8.4827619643 new EF (no-mixing): 8.4827619643 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.002086 tlogG= -0.043867 logG= -0.045953 Density= 0.285449 ETOT(band)= -0.208865 trlgG= -0.255495 logG= -0.045953 TDE= -0.387511 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000523 tlogG= -0.011017 logG= -0.011540 Density= 0.071356 ETOT(band)= -0.052250 trlgG= -0.063962 logG= -0.011540 TDE= -0.096911 logGD-logG0= -0.001342 tlogG= -0.010821 logG= -0.012164 Density= 0.104397 ETOT(band)= -0.061324 trlgG= -0.074122 logG= -0.012164 TDE= -0.127047 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002092 tlogG= -0.043879 logG= -0.045971 Density= 0.285452 ETOT(band)= -0.208814 trlgG= -0.255464 logG= -0.045971 TDE= -0.387463 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.004178 tlogG= -0.086935 logG= -0.091113 Density= 0.571054 ETOT(band)= -0.416874 trlgG= -0.509308 logG= -0.091113 TDE= -0.774231 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002111 tlogG= -0.043372 logG= -0.045482 Density= 0.285491 ETOT(band)= -0.208247 trlgG= -0.254415 logG= -0.045482 TDE= -0.386928 logGD-logG0= -0.002082 tlogG= -0.043710 logG= -0.045791 Density= 0.285488 ETOT(band)= -0.208712 trlgG= -0.255167 logG= -0.045791 TDE= -0.387369 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002104 tlogG= -0.043720 logG= -0.045824 Density= 0.285463 ETOT(band)= -0.208554 trlgG= -0.255058 logG= -0.045824 TDE= -0.387212 logGD-logG0= -0.001123 tlogG= -0.011663 logG= -0.012785 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 Density= 0.104085 ETOT(band)= -0.062074 trlgG= -0.075434 logG= -0.012785 TDE= -0.127543 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002105 tlogG= -0.043523 logG= -0.045628 Density= 0.285486 ETOT(band)= -0.208421 trlgG= -0.254723 logG= -0.045628 TDE= -0.387088 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000691 tlogG= -0.014360 logG= -0.015051 Density= 0.095216 ETOT(band)= -0.069332 trlgG= -0.084588 logG= -0.015051 TDE= -0.128902 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003362 tlogG= -0.034823 logG= -0.038185 Density= 0.312192 ETOT(band)= -0.186095 trlgG= -0.225998 logG= -0.038185 TDE= -0.382455 logGD-logG0= -0.002099 tlogG= -0.043840 logG= -0.045940 logGD-logG0= -0.002086 tlogG= -0.044046 logG= -0.046133 Density= 0.285413 ETOT(band)= -0.209058 trlgG= -0.255880 logG= -0.046133 TDE= -0.387694 logGD-logG0= -0.002632 tlogG= -0.040731 logG= -0.043363 Density= 0.294027 ETOT(band)= -0.201438 trlgG= -0.245932 logG= -0.043363 TDE= -0.385886 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.285454 ETOT(band)= -0.208710 trlgG= -0.255330 logG= -0.045940 TDE= -0.387364 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003559 tlogG= -0.034212 logG= -0.037771 Density= 0.312543 ETOT(band)= -0.185520 trlgG= -0.225072 logG= -0.037771 TDE= -0.382163 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002627 tlogG= -0.037678 logG= -0.040305 Density= 0.308654 ETOT(band)= -0.190058 trlgG= -0.231898 logG= -0.040305 TDE= -0.384031 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002535 tlogG= -0.040158 logG= -0.042693 Density= 0.294106 ETOT(band)= -0.200787 trlgG= -0.244544 logG= -0.042693 TDE= -0.385217 20) Finished k-point 41 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002755 tlogG= -0.040015 logG= -0.042770 Density= 0.294160 ETOT(band)= -0.200831 trlgG= -0.244772 logG= -0.042770 TDE= -0.385403 logGD-logG0= -0.001265 tlogG= -0.020565 logG= -0.021830 Density= 0.146967 ETOT(band)= -0.100881 trlgG= -0.123256 logG= -0.021830 TDE= -0.193055 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001039 tlogG= -0.021990 logG= -0.023029 Density= 0.142691 ETOT(band)= -0.104549 trlgG= -0.127929 logG= -0.023029 TDE= -0.193863 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004862 tlogG= -0.080963 logG= -0.085825 Density= 0.588005 ETOT(band)= -0.402056 trlgG= -0.489914 logG= -0.085825 TDE= -0.770694 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002214 tlogG= -0.042058 logG= -0.044272 Density= 0.293347 ETOT(band)= -0.202651 trlgG= -0.247861 logG= -0.044272 TDE= -0.386483 logGD-logG0= -0.002128 tlogG= -0.041359 logG= -0.043487 Density= 0.285838 ETOT(band)= -0.206270 trlgG= -0.250937 logG= -0.043487 TDE= -0.385662 logGD-logG0= -0.000830 tlogG= -0.012776 logG= -0.013606 Density= 0.103479 ETOT(band)= -0.063167 trlgG= -0.077242 logG= -0.013606 TDE= -0.128152 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002773 tlogG= -0.037986 logG= -0.040759 Density= 0.294565 ETOT(band)= -0.198765 trlgG= -0.241113 logG= -0.040759 TDE= -0.384007 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002112 tlogG= -0.040421 logG= -0.042532 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.290113 ETOT(band)= -0.202901 trlgG= -0.247100 logG= -0.042532 TDE= -0.385445 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002217 tlogG= -0.040558 logG= -0.042776 Density= 0.293877 ETOT(band)= -0.200966 trlgG= -0.245016 logG= -0.042776 TDE= -0.385464 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000520 tlogG= -0.010974 logG= -0.011495 Density= 0.071325 ETOT(band)= -0.052284 trlgG= -0.063961 logG= -0.011495 TDE= -0.096936 logGD-logG0= -0.005506 tlogG= -0.074179 logG= -0.079684 Density= 0.619332 ETOT(band)= -0.378098 trlgG= -0.460884 logG= -0.079684 TDE= -0.767336 logGD-logG0= -0.004393 tlogG= -0.083883 logG= -0.088276 Density= 0.585592 ETOT(band)= -0.405609 trlgG= -0.495788 logG= -0.088276 TDE= -0.772612 logGD-logG0= -0.002353 tlogG= -0.041750 logG= -0.044102 Density= 0.293736 ETOT(band)= -0.202269 trlgG= -0.247377 logG= -0.044102 TDE= -0.386411 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.002081 tlogG= -0.043947 logG= -0.046028 Density= 0.285419 ETOT(band)= -0.209006 trlgG= -0.255720 logG= -0.046028 TDE= -0.387643 logGD-logG0= -0.002113 tlogG= -0.041656 logG= -0.043769 logGD-logG0= -0.005279 tlogG= -0.079421 logG= -0.084700 Density= 0.285826 ETOT(band)= -0.206548 trlgG= -0.251420 logG= -0.043769 TDE= -0.385856 Density= 0.588383 ETOT(band)= -0.400856 trlgG= -0.487771 logG= -0.084700 TDE= -0.769911 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002075 tlogG= -0.043719 logG= -0.045794 Density= 0.285495 ETOT(band)= -0.208722 trlgG= -0.255179 logG= -0.045794 TDE= -0.387383 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004399 tlogG= -0.080821 logG= -0.085220 Density= 0.586774 ETOT(band)= -0.402138 trlgG= -0.489944 logG= -0.085220 TDE= -0.770561 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002079 tlogG= -0.043983 logG= -0.046063 Density= 0.285347 ETOT(band)= -0.209149 trlgG= -0.255924 logG= -0.046063 TDE= -0.387767 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005001 tlogG= -0.076231 logG= -0.081232 Density= 0.611463 ETOT(band)= -0.384070 trlgG= -0.468463 logG= -0.081232 TDE= -0.768461 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002114 tlogG= -0.042793 logG= -0.044907 Density= 0.285556 ETOT(band)= -0.207706 trlgG= -0.253299 logG= -0.044907 TDE= -0.386428 logGD-logG0= -0.004249 tlogG= -0.085304 logG= -0.089553 Density= 0.571188 ETOT(band)= -0.415143 trlgG= -0.506579 logG= -0.089553 TDE= -0.773145 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002429 tlogG= -0.041414 logG= -0.043843 Density= 0.293833 ETOT(band)= -0.201969 trlgG= -0.246855 logG= -0.043843 TDE= -0.386208 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002081 tlogG= -0.044039 logG= -0.046120 Density= 0.285382 ETOT(band)= -0.209131 trlgG= -0.255950 logG= -0.046120 TDE= -0.387758 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004809 tlogG= -0.077258 logG= -0.082067 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.607289 ETOT(band)= -0.387267 trlgG= -0.472541 logG= -0.082067 TDE= -0.769102 logGD-logG0= -0.004306 tlogG= -0.084437 logG= -0.088744 Density= 0.580747 ETOT(band)= -0.408874 trlgG= -0.499652 logG= -0.088744 TDE= -0.772987 22) Finished k-point 45 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.004708 tlogG= -0.081724 logG= -0.086432 Density= 0.587829 ETOT(band)= -0.402718 trlgG= -0.491110 logG= -0.086432 TDE= -0.771173 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004307 tlogG= -0.081546 logG= -0.085853 Density= 0.583991 ETOT(band)= -0.404342 trlgG= -0.492760 logG= -0.085853 TDE= -0.771009 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000693 tlogG= -0.014647 logG= -0.015340 Density= 0.095110 ETOT(band)= -0.069713 trlgG= -0.085293 logG= -0.015340 TDE= -0.129251 logGD-logG0= -0.002106 tlogG= -0.042987 logG= -0.045093 Density= 0.285560 ETOT(band)= -0.207902 trlgG= -0.253660 logG= -0.045093 TDE= -0.386605 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004231 tlogG= -0.085726 logG= -0.089956 Density= 0.571164 ETOT(band)= -0.415576 trlgG= -0.507317 logG= -0.089956 TDE= -0.773465 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004189 tlogG= -0.087199 logG= -0.091388 Density= 0.570988 ETOT(band)= -0.417075 trlgG= -0.509794 logG= -0.091388 TDE= -0.774400 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002083 tlogG= -0.041996 logG= -0.044080 Density= 0.285871 ETOT(band)= -0.206837 trlgG= -0.251908 logG= -0.044080 TDE= -0.386061 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002120 tlogG= -0.042816 logG= -0.044935 Density= 0.285857 ETOT(band)= -0.207622 trlgG= -0.253619 logG= -0.044935 TDE= -0.386907 37) Finished k-point 75 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000691 tlogG= -0.014622 logG= -0.015313 Density= 0.095149 ETOT(band)= -0.069640 trlgG= -0.085180 logG= -0.015313 TDE= -0.129189 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002104 tlogG= -0.043319 logG= -0.045423 Density= 0.285529 ETOT(band)= -0.208270 trlgG= -0.254483 logG= -0.045423 TDE= -0.387079 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002101 tlogG= -0.043076 logG= -0.045176 Density= 0.285595 ETOT(band)= -0.208025 trlgG= -0.254062 logG= -0.045176 TDE= -0.386946 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002078 tlogG= -0.042614 logG= -0.044692 Density= 0.285729 ETOT(band)= -0.207501 trlgG= -0.252896 logG= -0.044692 TDE= -0.386348 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002082 tlogG= -0.043519 logG= -0.045602 Density= 0.285532 ETOT(band)= -0.208479 trlgG= -0.254733 logG= -0.045602 TDE= -0.387152 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004194 tlogG= -0.085501 logG= -0.089695 Density= 0.571292 ETOT(band)= -0.415341 trlgG= -0.506603 logG= -0.089695 TDE= -0.773093 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004218 tlogG= -0.084248 logG= -0.088466 Density= 0.572322 ETOT(band)= -0.413593 trlgG= -0.504142 logG= -0.088466 TDE= -0.772503 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000087 tlogG= -0.001828 logG= -0.001915 Density= 0.083212 ETOT(band)= -0.060998 trlgG= -0.074620 logG= -0.001915 TDE= -0.016155 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.000525 tlogG= -0.010987 logG= -0.011512 Density= 0.356815 ETOT(band)= -0.260913 trlgG= -0.319216 logG= -0.011512 TDE= -0.096865 logGD-logG0= -0.000694 tlogG= -0.013739 logG= -0.014434 Density= 0.166746 ETOT(band)= -0.120893 trlgG= -0.147519 logG= -0.014434 TDE= -0.128596 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002092 tlogG= -0.043590 logG= -0.045682 Density= 0.856550 ETOT(band)= -0.625448 trlgG= -0.764231 logG= -0.045682 TDE= -0.387239 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000525 tlogG= -0.010961 logG= -0.011486 Density= 0.356827 ETOT(band)= -0.260720 trlgG= -0.318880 logG= -0.011486 TDE= -0.096829 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002105 tlogG= -0.043593 logG= -0.045698 Density= 0.570965 ETOT(band)= -0.416689 trlgG= -0.509231 logG= -0.045698 TDE= -0.387103 logGD-logG0= -0.000522 tlogG= -0.011026 logG= -0.011548 Density= 0.356762 ETOT(band)= -0.261339 trlgG= -0.319882 logG= -0.011548 TDE= -0.096939 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001042 tlogG= -0.021899 logG= -0.022942 Density= 0.428218 ETOT(band)= -0.313120 trlgG= -0.382854 logG= -0.022942 TDE= -0.193733 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002093 tlogG= -0.043975 logG= -0.046068 Density= 0.570889 ETOT(band)= -0.417724 trlgG= -0.511125 logG= -0.046068 TDE= -0.387555 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002100 tlogG= -0.043722 logG= -0.045822 Density= 0.570954 ETOT(band)= -0.417021 trlgG= -0.509821 logG= -0.045822 TDE= -0.387258 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001107 tlogG= -0.021132 logG= -0.022239 Density= 0.439985 ETOT(band)= -0.304091 trlgG= -0.372013 logG= -0.022239 TDE= -0.193338 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003777 tlogG= -0.033374 logG= -0.037151 Density= 0.417246 ETOT(band)= -0.246101 trlgG= -0.297891 logG= -0.037151 TDE= -0.381670 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003027 tlogG= -0.036243 logG= -0.039270 Density= 0.415753 ETOT(band)= -0.249463 trlgG= -0.303702 logG= -0.039270 TDE= -0.383314 logGD-logG0= -0.002076 tlogG= -0.043460 logG= -0.045536 Density= 0.380776 ETOT(band)= -0.277753 trlgG= -0.339188 logG= -0.045536 TDE= -0.387102 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002125 tlogG= -0.042828 logG= -0.044953 Density= 0.856757 ETOT(band)= -0.622885 trlgG= -0.760222 logG= -0.044953 TDE= -0.386734 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002867 tlogG= -0.036755 logG= -0.039622 Density= 0.605406 ETOT(band)= -0.389308 trlgG= -0.474975 logG= -0.039622 TDE= -0.383557 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001040 tlogG= -0.021963 logG= -0.023003 Density= 0.237767 ETOT(band)= -0.174286 trlgG= -0.213231 logG= -0.023003 TDE= -0.193877 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 25 logGD-logG0= -0.002738 tlogG= -0.037353 logG= -0.040091 Density= 0.458093 ETOT(band)= -0.289326 trlgG= -0.353294 logG= -0.040091 TDE= -0.383925 logGD-logG0= -0.002154 tlogG= -0.042416 logG= -0.044570 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.870900 ETOT(band)= -0.613619 trlgG= -0.749998 logG= -0.044570 TDE= -0.386678 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002086 tlogG= -0.043976 logG= -0.046062 Density= 0.570879 ETOT(band)= -0.417845 trlgG= -0.511220 logG= -0.046062 TDE= -0.387621 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002537 tlogG= -0.039043 logG= -0.041580 Density= 0.603057 ETOT(band)= -0.389647 trlgG= -0.474578 logG= -0.041580 TDE= -0.384651 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002897 tlogG= -0.036453 logG= -0.039349 Density= 0.622388 ETOT(band)= -0.374390 trlgG= -0.455227 logG= -0.039349 TDE= -0.383279 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002532 tlogG= -0.040882 logG= -0.043414 Density= 0.588080 ETOT(band)= -0.402304 trlgG= -0.490556 logG= -0.043414 TDE= -0.385883 logGD-logG0= -0.001376 tlogG= -0.020144 logG= -0.021520 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.441222 ETOT(band)= -0.301377 trlgG= -0.367427 logG= -0.021520 TDE= -0.192824 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 24 logGD-logG0= -0.006368 tlogG= -0.071121 logG= -0.077489 logGD-logG0= -0.002117 tlogG= -0.043031 logG= -0.045148 Density= 0.856718 ETOT(band)= -0.623534 trlgG= -0.761319 logG= -0.045148 TDE= -0.386889 Density= 0.936406 ETOT(band)= -0.559032 trlgG= -0.679396 logG= -0.077489 TDE= -0.765796 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002241 tlogG= -0.039462 logG= -0.041703 Density= 0.401072 ETOT(band)= -0.260947 trlgG= -0.318410 logG= -0.041703 TDE= -0.385005 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002764 tlogG= -0.039220 logG= -0.041983 Density= 0.588844 ETOT(band)= -0.398817 trlgG= -0.484303 logG= -0.041983 TDE= -0.384682 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002199 tlogG= -0.039721 logG= -0.041920 Density= 0.590180 ETOT(band)= -0.400910 trlgG= -0.489543 logG= -0.041920 TDE= -0.385071 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004859 tlogG= -0.082350 logG= -0.087209 Density= 1.175751 ETOT(band)= -0.805519 trlgG= -0.982655 logG= -0.087209 TDE= -0.771975 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004248 tlogG= -0.084276 logG= -0.088524 Density= 0.857173 ETOT(band)= -0.620406 trlgG= -0.755456 logG= -0.088524 TDE= -0.772206 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002197 tlogG= -0.042149 logG= -0.044345 Density= 0.878316 ETOT(band)= -0.608640 trlgG= -0.744126 logG= -0.044345 TDE= -0.386498 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005288 tlogG= -0.077072 logG= -0.082360 Density= 1.208304 ETOT(band)= -0.776465 trlgG= -0.944720 logG= -0.082360 TDE= -0.768682 logGD-logG0= -0.004865 tlogG= -0.078834 logG= -0.083699 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005268 tlogG= -0.080936 logG= -0.086203 Density= 1.176513 ETOT(band)= -0.803219 trlgG= -0.978585 logG= -0.086203 TDE= -0.771293 Density= 1.200031 ETOT(band)= -0.783847 trlgG= -0.954843 logG= -0.083699 TDE= -0.769636 logGD-logG0= -0.000520 tlogG= -0.010995 logG= -0.011516 Density= 0.356680 ETOT(band)= -0.261440 trlgG= -0.319910 logG= -0.011516 TDE= -0.096945 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 57) Finished k-point 116 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002214 tlogG= -0.041463 logG= -0.043677 Density= 0.587427 ETOT(band)= -0.402954 trlgG= -0.491597 logG= -0.043677 TDE= -0.385924 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.004222 tlogG= -0.086444 logG= -0.090667 Density= 0.856571 ETOT(band)= -0.623921 trlgG= -0.761541 logG= -0.090667 TDE= -0.773587 logGD-logG0= -0.002078 tlogG= -0.043979 logG= -0.046057 Density= 0.428054 ETOT(band)= -0.313675 trlgG= -0.383818 logG= -0.046057 TDE= -0.387748 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004225 tlogG= -0.084769 logG= -0.088994 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.857156 ETOT(band)= -0.621160 trlgG= -0.756791 logG= -0.088994 TDE= -0.772584 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004393 tlogG= -0.082673 logG= -0.087065 Density= 1.172769 ETOT(band)= -0.806416 trlgG= -0.983146 logG= -0.087065 TDE= -0.771488 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004203 tlogG= -0.082701 logG= -0.086905 Density= 0.863602 ETOT(band)= -0.614360 trlgG= -0.748057 logG= -0.086905 TDE= -0.771606 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004303 tlogG= -0.083288 logG= -0.087590 logGD-logG0= -0.004706 tlogG= -0.083041 logG= -0.087747 Density= 1.175387 ETOT(band)= -0.806791 trlgG= -0.984926 logG= -0.087747 TDE= -0.772395 Density= 1.165922 ETOT(band)= -0.811476 trlgG= -0.989443 logG= -0.087590 TDE= -0.771910 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004210 tlogG= -0.086767 logG= -0.090977 Density= 0.856571 ETOT(band)= -0.624472 trlgG= -0.762545 logG= -0.090977 TDE= -0.773917 logGD-logG0= -0.002259 tlogG= -0.039286 logG= -0.041546 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.593062 ETOT(band)= -0.398638 trlgG= -0.486640 logG= -0.041546 TDE= -0.384800 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000520 tlogG= -0.011017 logG= -0.011537 Density= 0.356724 ETOT(band)= -0.261425 trlgG= -0.319958 logG= -0.011537 TDE= -0.096949 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002080 tlogG= -0.044002 logG= -0.046082 Density= 0.570818 ETOT(band)= -0.418086 trlgG= -0.511576 logG= -0.046082 TDE= -0.387712 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004711 tlogG= -0.079715 logG= -0.084427 Density= 1.195681 ETOT(band)= -0.787811 trlgG= -0.960309 logG= -0.084427 TDE= -0.770186 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002092 tlogG= -0.042647 logG= -0.044738 Density= 0.571573 ETOT(band)= -0.414391 trlgG= -0.505057 logG= -0.044738 TDE= -0.386537 logGD-logG0= -0.004158 tlogG= -0.087781 logG= -0.091939 Density= 0.856377 ETOT(band)= -0.626588 trlgG= -0.766343 logG= -0.091939 TDE= -0.775154 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 43) Finished k-point 88 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002096 tlogG= -0.043719 logG= -0.045815 Density= 0.856461 ETOT(band)= -0.625736 trlgG= -0.764941 logG= -0.045815 TDE= -0.387317 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002077 tlogG= -0.043949 logG= -0.046026 Density= 0.380549 ETOT(band)= -0.278689 trlgG= -0.340949 logG= -0.046026 TDE= -0.387682 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001052 tlogG= -0.021613 logG= -0.022665 Density= 0.428374 ETOT(band)= -0.312120 trlgG= -0.381252 logG= -0.022665 TDE= -0.193544 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002093 tlogG= -0.042116 logG= -0.044210 Density= 0.571644 ETOT(band)= -0.414620 trlgG= -0.505761 logG= -0.044210 TDE= -0.386113 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002094 tlogG= -0.043262 logG= -0.045356 Density= 0.571082 ETOT(band)= -0.416463 trlgG= -0.508681 logG= -0.045356 TDE= -0.386876 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004166 tlogG= -0.086255 logG= -0.090421 Density= 0.856952 ETOT(band)= -0.623620 trlgG= -0.760738 logG= -0.090421 TDE= -0.773562 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004205 tlogG= -0.086343 logG= -0.090548 Density= 1.142410 ETOT(band)= -0.831568 trlgG= -1.014951 logG= -0.090548 TDE= -0.773876 38) Finished k-point 78 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004172 tlogG= -0.087555 logG= -0.091727 Density= 0.856478 ETOT(band)= -0.626006 trlgG= -0.765326 logG= -0.091727 TDE= -0.774835 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004234 tlogG= -0.085274 logG= -0.089507 Density= 1.144174 ETOT(band)= -0.828422 trlgG= -1.010592 logG= -0.089507 TDE= -0.773475 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Sum of eigenvalues= -389.115184817036 eV TrLogG= -474.555383770472 eV Ratio to renormalize= 1.000779945763 rho-rho_expected=-0.031952854782 nargs= 1 argi=dmft2.def 10) Finished k-point number 21 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 9) Finished k-point number 19 1 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 32) Finished k-point number 65 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 31) Finished k-point number 63 1 with #bands= 19 36) Finished k-point number 73 1 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 18) Finished k-point number 38 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 39) Finished k-point number 80 2 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 31) Finished k-point number 64 2 with #bands= 19 2) Finished k-point number 5 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 54) Finished k-point number 109 1 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 24) Finished k-point number 49 1 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 2) Finished k-point number 6 2 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 33) Finished k-point number 68 2 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 6) Finished k-point number 14 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 15) Finished k-point number 32 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 35) Finished k-point number 71 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 38) Finished k-point number 78 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 16) Finished k-point number 33 1 with #bands= 19 26) Finished k-point number 53 1 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 0) Finished k-point number 1 1 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.861284552119703 0.868598626600153 0.846250091210696 58) Finished k-point number 117 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 18) Finished k-point number 37 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 37) Finished k-point number 75 1 with #bands= 19 41) Finished k-point number 83 1 with #bands= 19 59) Finished k-point number 119 1 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 17) Finished k-point number 35 1 with #bands= 19 16) Finished k-point number 33 1 with #bands= 19 1) Finished k-point number 3 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 20) Finished k-point number 41 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 0) Finished k-point number 2 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 31) Finished k-point number 64 2 with #bands= 19 41) Finished k-point number 84 2 with #bands= 19 30) Finished k-point number 62 2 with #bands= 19 46) Finished k-point number 94 2 with #bands= 19 1) Finished k-point number 4 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 19) Finished k-point number 40 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 10) Finished k-point number 22 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 56) Finished k-point number 114 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 9) Finished k-point number 20 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 36) Finished k-point number 74 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 8.48276196427435 Density= 40.6537112571118 41.0000000000000 EF 8.75487579638794 Density= 40.9528166061741 41.0000000000000 EF 9.02698962850152 Density= 41.3056425785661 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.66347156 0.64347156 0.305643 -0.471834E-01 1 0.65347156 0.64347158 0.125599 -0.471834E-01 2 0.64847157 0.64347133 0.499458E-01 -0.471834E-01 3 0.64597145 0.64347145 0.422709E-02 -0.471834E-01 4 0.64575346 0.64597145 -0.455040E-04 0.422709E-02 5 0.64575578 0.64575346 0.227199E-06 -0.455040E-04 6 0.64575577 0.64575346 0.119798E-10 -0.455040E-04 Absolute convergence of |F(X)|. Difference in EF too large to mix 0.303192132974472 cutoff= 2.9999999E-02 Difference in EF= 0.3031921330 EF set to : 8.7859540972 new EF (no-mixing): 8.7859540972 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.000672 tlogG= -0.015276 logG= -0.015948 Density= 0.095256 ETOT(band)= -0.068768 trlgG= -0.084899 logG= -0.015948 TDE= -0.130463 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000506 tlogG= -0.011649 logG= -0.012155 Density= 0.071356 ETOT(band)= -0.051851 trlgG= -0.064172 logG= -0.012155 TDE= -0.098096 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.000674 tlogG= -0.015548 logG= -0.016222 Density= 0.095150 ETOT(band)= -0.069136 trlgG= -0.085577 logG= -0.016222 TDE= -0.130799 logGD-logG0= -0.001298 tlogG= -0.011857 logG= -0.013155 Density= 0.104367 ETOT(band)= -0.060696 trlgG= -0.074467 logG= -0.013155 TDE= -0.128707 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002051 tlogG= -0.045587 logG= -0.047639 Density= 0.285953 ETOT(band)= -0.205946 trlgG= -0.254569 logG= -0.047639 TDE= -0.391587 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 37) Finished k-point 75 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002032 tlogG= -0.046623 logG= -0.048655 Density= 0.285590 ETOT(band)= -0.207107 trlgG= -0.256371 logG= -0.048655 TDE= -0.392137 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001010 tlogG= -0.023346 logG= -0.024356 Density= 0.142753 ETOT(band)= -0.103687 trlgG= -0.128361 logG= -0.024356 TDE= -0.196188 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000672 tlogG= -0.015528 logG= -0.016201 Density= 0.095188 ETOT(band)= -0.069068 trlgG= -0.085474 logG= -0.016201 TDE= -0.130742 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000799 tlogG= -0.013733 logG= -0.014532 Density= 0.103409 ETOT(band)= -0.062518 trlgG= -0.077501 logG= -0.014532 TDE= -0.129746 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002046 tlogG= -0.046157 logG= -0.048203 Density= 0.285645 ETOT(band)= -0.206565 trlgG= -0.255384 logG= -0.048203 TDE= -0.391638 logGD-logG0= -0.002041 tlogG= -0.046499 logG= -0.048540 Density= 0.285607 ETOT(band)= -0.206877 trlgG= -0.256024 logG= -0.048540 TDE= -0.391917 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001086 tlogG= -0.012656 logG= -0.013742 Density= 0.104047 ETOT(band)= -0.061423 trlgG= -0.075721 logG= -0.013742 TDE= -0.129168 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003445 tlogG= -0.037229 logG= -0.040673 Density= 0.312435 ETOT(band)= -0.183589 trlgG= -0.225987 logG= -0.040673 TDE= -0.387070 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002525 tlogG= -0.043599 logG= -0.046124 Density= 0.294122 ETOT(band)= -0.199638 trlgG= -0.246806 logG= -0.046124 TDE= -0.390614 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002041 tlogG= -0.046291 logG= -0.048332 Density= 0.285636 ETOT(band)= -0.206726 trlgG= -0.255660 logG= -0.048332 TDE= -0.391779 logGD-logG0= -0.002018 tlogG= -0.046447 logG= -0.048465 Density= 0.285617 ETOT(band)= -0.207012 trlgG= -0.256075 logG= -0.048465 TDE= -0.392048 logGD-logG0= -0.000508 tlogG= -0.011702 logG= -0.012210 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 Density= 0.071390 ETOT(band)= -0.051823 trlgG= -0.064188 logG= -0.012210 TDE= -0.098079 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003254 tlogG= -0.037830 logG= -0.041084 Density= 0.312075 ETOT(band)= -0.184174 trlgG= -0.226919 logG= -0.041084 TDE= -0.387359 logGD-logG0= -0.002037 tlogG= -0.046602 logG= -0.048640 Density= 0.285596 ETOT(band)= -0.207019 trlgG= -0.256268 logG= -0.048640 TDE= -0.392053 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002534 tlogG= -0.040581 logG= -0.043114 Density= 0.308351 ETOT(band)= -0.188238 trlgG= -0.232839 logG= -0.043114 TDE= -0.388845 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002437 tlogG= -0.043016 logG= -0.045452 Density= 0.294202 ETOT(band)= -0.198982 trlgG= -0.245421 logG= -0.045452 TDE= -0.389951 20) Finished k-point 41 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002040 tlogG= -0.046077 logG= -0.048117 logGD-logG0= -0.001215 tlogG= -0.021986 logG= -0.023201 Density= 0.285682 ETOT(band)= -0.206559 trlgG= -0.255393 logG= -0.048117 TDE= -0.391758 Density= 0.147011 ETOT(band)= -0.099975 trlgG= -0.123678 logG= -0.023201 TDE= -0.195410 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002058 tlogG= -0.044182 logG= -0.046240 Density= 0.286021 ETOT(band)= -0.204588 trlgG= -0.251953 logG= -0.046240 TDE= -0.390413 logGD-logG0= -0.002641 tlogG= -0.042915 logG= -0.045556 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.294266 ETOT(band)= -0.199043 trlgG= -0.245682 logG= -0.045556 TDE= -0.390150 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002335 tlogG= -0.044250 logG= -0.046585 Density= 0.293914 ETOT(band)= -0.200166 trlgG= -0.247711 logG= -0.046585 TDE= -0.390923 logGD-logG0= -0.002023 tlogG= -0.046440 logG= -0.048463 Density= 0.285617 ETOT(band)= -0.206997 trlgG= -0.256058 logG= -0.048463 TDE= -0.392034 logGD-logG0= -0.004678 tlogG= -0.086664 logG= -0.091343 Density= 0.588176 ETOT(band)= -0.398468 trlgG= -0.491692 logG= -0.091343 TDE= -0.780167 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 10) Finished k-point 21 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002662 tlogG= -0.040920 logG= -0.043582 Density= 0.294712 ETOT(band)= -0.196976 trlgG= -0.242122 logG= -0.043582 TDE= -0.388852 logGD-logG0= -0.002262 tlogG= -0.044564 logG= -0.046826 Density= 0.293809 ETOT(band)= -0.200456 trlgG= -0.248207 logG= -0.046826 TDE= -0.391109 logGD-logG0= -0.002019 tlogG= -0.045377 logG= -0.047397 Density= 0.285854 ETOT(band)= -0.205815 trlgG= -0.253834 logG= -0.047397 TDE= -0.391029 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004233 tlogG= -0.089515 logG= -0.093748 Density= 0.585215 ETOT(band)= -0.402364 trlgG= -0.497886 logG= -0.093748 TDE= -0.782044 logGD-logG0= -0.005069 tlogG= -0.085187 logG= -0.090256 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.588599 ETOT(band)= -0.397263 trlgG= -0.489576 logG= -0.090256 TDE= -0.779410 logGD-logG0= -0.002022 tlogG= -0.046690 logG= -0.048711 Density= 0.285469 ETOT(band)= -0.207420 trlgG= -0.256780 logG= -0.048711 TDE= -0.392412 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002022 tlogG= -0.046667 logG= -0.048689 Density= 0.285546 ETOT(band)= -0.207285 trlgG= -0.256595 logG= -0.048689 TDE= -0.392299 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002028 tlogG= -0.046599 logG= -0.048627 Density= 0.285584 ETOT(band)= -0.207147 trlgG= -0.256383 logG= -0.048627 TDE= -0.392174 logGD-logG0= -0.002023 tlogG= -0.046260 logG= -0.048283 Density= 0.285662 ETOT(band)= -0.206773 trlgG= -0.255640 logG= -0.048283 TDE= -0.391825 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002046 tlogG= -0.044460 logG= -0.046506 Density= 0.285986 ETOT(band)= -0.204868 trlgG= -0.252416 logG= -0.046506 TDE= -0.390587 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004058 tlogG= -0.092422 logG= -0.096481 Density= 0.571334 ETOT(band)= -0.413448 trlgG= -0.511109 logG= -0.096481 TDE= -0.783570 logGD-logG0= -0.004112 tlogG= -0.090903 logG= -0.095015 Density= 0.571531 ETOT(band)= -0.411766 trlgG= -0.508527 logG= -0.095015 TDE= -0.782581 logGD-logG0= -0.004638 tlogG= -0.082999 logG= -0.087637 logGD-logG0= -0.004068 tlogG= -0.091039 logG= -0.095106 logGD-logG0= -0.002023 tlogG= -0.046753 logG= -0.048776 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.571583 ETOT(band)= -0.411948 trlgG= -0.508477 logG= -0.095106 TDE= -0.782474 Density= 0.285508 ETOT(band)= -0.207407 trlgG= -0.256818 logG= -0.048776 TDE= -0.392410 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.605789 ETOT(band)= -0.384339 trlgG= -0.475116 logG= -0.087637 TDE= -0.778671 logGD-logG0= -0.002023 tlogG= -0.044775 logG= -0.046798 Density= 0.285995 ETOT(band)= -0.205163 trlgG= -0.252870 logG= -0.046798 TDE= -0.390755 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 22) Finished k-point 45 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.004829 tlogG= -0.082022 logG= -0.086851 Density= 0.610113 ETOT(band)= -0.381009 trlgG= -0.470948 logG= -0.086851 TDE= -0.778082 logGD-logG0= -0.004086 tlogG= -0.089815 logG= -0.093902 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.572395 ETOT(band)= -0.410332 trlgG= -0.506166 logG= -0.093902 TDE= -0.781891 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005314 tlogG= -0.080042 logG= -0.085356 Density= 0.619079 ETOT(band)= -0.374256 trlgG= -0.462601 logG= -0.085356 TDE= -0.777018 logGD-logG0= -0.004160 tlogG= -0.087191 logG= -0.091351 logGD-logG0= -0.004155 tlogG= -0.090031 logG= -0.094187 Density= 0.583140 ETOT(band)= -0.401444 trlgG= -0.495276 logG= -0.091351 TDE= -0.780490 logGD-logG0= -0.002041 tlogG= -0.045766 logG= -0.047807 Density= 0.285712 ETOT(band)= -0.206212 trlgG= -0.254613 logG= -0.047807 TDE= -0.391306 Density= 0.579444 ETOT(band)= -0.406265 trlgG= -0.502393 logG= -0.094187 TDE= -0.782386 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002048 tlogG= -0.045589 logG= -0.047637 Density= 0.285716 ETOT(band)= -0.206025 trlgG= -0.254286 logG= -0.047637 TDE= -0.391152 logGD-logG0= -0.004531 tlogG= -0.087382 logG= -0.091913 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.587976 ETOT(band)= -0.399114 trlgG= -0.492834 logG= -0.091913 TDE= -0.780610 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004098 tlogG= -0.091289 logG= -0.095386 Density= 0.571489 ETOT(band)= -0.412181 trlgG= -0.509211 logG= -0.095386 TDE= -0.782867 logGD-logG0= -0.002027 tlogG= -0.046772 logG= -0.048799 Density= 0.285544 ETOT(band)= -0.207339 trlgG= -0.256762 logG= -0.048799 TDE= -0.392354 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004247 tlogG= -0.086507 logG= -0.090754 Density= 0.586712 ETOT(band)= -0.398739 trlgG= -0.491970 logG= -0.090754 TDE= -0.780088 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002037 tlogG= -0.045832 logG= -0.047869 Density= 0.285744 ETOT(band)= -0.206314 trlgG= -0.254967 logG= -0.047869 TDE= -0.391620 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002045 tlogG= -0.043239 logG= -0.045283 Density= 0.289125 ETOT(band)= -0.201837 trlgG= -0.248758 logG= -0.045283 TDE= -0.390179 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002131 tlogG= -0.044852 logG= -0.046982 Density= 0.293254 ETOT(band)= -0.200933 trlgG= -0.248783 logG= -0.046982 TDE= -0.391171 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002139 tlogG= -0.043378 logG= -0.045517 Density= 0.293867 ETOT(band)= -0.199218 trlgG= -0.245952 logG= -0.045517 TDE= -0.390201 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004068 tlogG= -0.092701 logG= -0.096768 Density= 0.571272 ETOT(band)= -0.413662 trlgG= -0.511619 logG= -0.096768 TDE= -0.783754 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000084 tlogG= -0.001940 logG= -0.002025 Density= 0.083248 ETOT(band)= -0.060492 trlgG= -0.074866 logG= -0.002025 TDE= -0.016349 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.000510 tlogG= -0.011655 logG= -0.012165 Density= 0.357006 ETOT(band)= -0.258623 trlgG= -0.320088 logG= -0.012165 TDE= -0.098006 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002018 tlogG= -0.046198 logG= -0.048216 Density= 0.380939 ETOT(band)= -0.275485 trlgG= -0.340409 logG= -0.048216 TDE= -0.391775 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002021 tlogG= -0.046687 logG= -0.048708 Density= 0.428237 ETOT(band)= -0.311086 trlgG= -0.385112 logG= -0.048708 TDE= -0.392396 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000509 tlogG= -0.011677 logG= -0.012187 Density= 0.356991 ETOT(band)= -0.258798 trlgG= -0.320388 logG= -0.012187 TDE= -0.098037 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003656 tlogG= -0.036433 logG= -0.040089 logGD-logG0= -0.001012 tlogG= -0.023314 logG= -0.024325 Density= 0.237868 ETOT(band)= -0.172842 trlgG= -0.213939 logG= -0.024325 TDE= -0.196198 Density= 0.417117 ETOT(band)= -0.243563 trlgG= -0.299207 logG= -0.040089 TDE= -0.386612 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 25 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002032 tlogG= -0.046717 logG= -0.048749 Density= 0.571164 ETOT(band)= -0.414310 trlgG= -0.512936 logG= -0.048749 TDE= -0.392228 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002038 tlogG= -0.046486 logG= -0.048524 Density= 0.571246 ETOT(band)= -0.413635 trlgG= -0.511697 logG= -0.048524 TDE= -0.391948 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000675 tlogG= -0.014671 logG= -0.015346 Density= 0.166805 ETOT(band)= -0.119922 trlgG= -0.148086 logG= -0.015346 TDE= -0.130166 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002030 tlogG= -0.046331 logG= -0.048361 Density= 0.856973 ETOT(band)= -0.620306 trlgG= -0.766923 logG= -0.048361 TDE= -0.391906 logGD-logG0= -0.002031 tlogG= -0.044898 logG= -0.046929 Density= 0.571880 ETOT(band)= -0.411262 trlgG= -0.507679 logG= -0.046929 TDE= -0.390820 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004042 tlogG= -0.093225 logG= -0.097267 Density= 0.856749 ETOT(band)= -0.621443 trlgG= -0.769002 logG= -0.097267 TDE= -0.784472 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002926 tlogG= -0.039181 logG= -0.042107 Density= 0.415586 ETOT(band)= -0.246849 trlgG= -0.304806 logG= -0.042107 TDE= -0.388156 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002162 tlogG= -0.042305 logG= -0.044467 Density= 0.400333 ETOT(band)= -0.258894 trlgG= -0.319989 logG= -0.044467 TDE= -0.389762 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002771 tlogG= -0.039684 logG= -0.042455 Density= 0.605361 ETOT(band)= -0.385554 trlgG= -0.476672 logG= -0.042455 TDE= -0.388395 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002078 tlogG= -0.045210 logG= -0.047288 Density= 0.868921 ETOT(band)= -0.609722 trlgG= -0.754123 logG= -0.047288 TDE= -0.391373 logGD-logG0= -0.002642 tlogG= -0.040255 logG= -0.042897 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 Density= 0.457991 ETOT(band)= -0.286449 trlgG= -0.354493 logG= -0.042897 TDE= -0.388735 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002797 tlogG= -0.039418 logG= -0.042215 Density= 0.622290 ETOT(band)= -0.370478 trlgG= -0.456961 logG= -0.042215 TDE= -0.388151 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002056 tlogG= -0.045625 logG= -0.047681 logGD-logG0= -0.001065 tlogG= -0.022527 logG= -0.023592 Density= 0.857271 ETOT(band)= -0.617817 trlgG= -0.763139 logG= -0.047681 TDE= -0.391449 Density= 0.439834 ETOT(band)= -0.301520 trlgG= -0.373401 logG= -0.023592 TDE= -0.195680 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002432 tlogG= -0.043728 logG= -0.046160 Density= 0.588268 ETOT(band)= -0.398688 trlgG= -0.492283 logG= -0.046160 TDE= -0.390597 logGD-logG0= -0.002443 tlogG= -0.041919 logG= -0.044361 Density= 0.602856 ETOT(band)= -0.386034 trlgG= -0.476464 logG= -0.044361 TDE= -0.389442 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001019 tlogG= -0.022990 logG= -0.024009 Density= 0.428600 ETOT(band)= -0.309551 trlgG= -0.382606 logG= -0.024009 TDE= -0.195879 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002042 tlogG= -0.046374 logG= -0.048417 Density= 0.571266 ETOT(band)= -0.413328 trlgG= -0.511168 logG= -0.048417 TDE= -0.391808 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006161 tlogG= -0.077061 logG= -0.083221 Density= 0.936046 ETOT(band)= -0.553216 trlgG= -0.682046 logG= -0.083221 TDE= -0.775539 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002050 tlogG= -0.045810 logG= -0.047859 Density= 0.857207 ETOT(band)= -0.618438 trlgG= -0.764153 logG= -0.047859 TDE= -0.391587 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002019 tlogG= -0.046663 logG= -0.048682 Density= 0.380710 ETOT(band)= -0.276396 trlgG= -0.342114 logG= -0.048682 TDE= -0.392335 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002184 tlogG= -0.042152 logG= -0.044336 Density= 0.592977 ETOT(band)= -0.395118 trlgG= -0.488510 logG= -0.044336 TDE= -0.389585 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002124 tlogG= -0.042565 logG= -0.044688 Density= 0.589925 ETOT(band)= -0.397515 trlgG= -0.491507 logG= -0.044688 TDE= -0.389831 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004111 tlogG= -0.089893 logG= -0.094004 Density= 0.857704 ETOT(band)= -0.615356 trlgG= -0.758462 logG= -0.094004 TDE= -0.781673 logGD-logG0= -0.001319 tlogG= -0.021592 logG= -0.022910 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.441379 ETOT(band)= -0.298696 trlgG= -0.368790 logG= -0.022910 TDE= -0.195196 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 24 logGD-logG0= -0.004672 tlogG= -0.088029 logG= -0.092701 Density= 1.176086 ETOT(band)= -0.798328 trlgG= -0.986158 logG= -0.092701 TDE= -0.781411 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002032 tlogG= -0.046020 logG= -0.048052 Density= 0.571377 ETOT(band)= -0.413051 trlgG= -0.510514 logG= -0.048052 TDE= -0.391558 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000506 tlogG= -0.011672 logG= -0.012177 Density= 0.356833 ETOT(band)= -0.259279 trlgG= -0.320980 logG= -0.012177 TDE= -0.098106 57) Finished k-point 116 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002650 tlogG= -0.042132 logG= -0.044782 Density= 0.589111 ETOT(band)= -0.395241 trlgG= -0.486240 logG= -0.044782 TDE= -0.389446 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005056 tlogG= -0.086678 logG= -0.091734 Density= 1.176926 ETOT(band)= -0.796027 trlgG= -0.982147 logG= -0.091734 TDE= -0.780754 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002116 tlogG= -0.044962 logG= -0.047078 logGD-logG0= -0.004047 tlogG= -0.091757 logG= -0.095804 Density= 0.857341 ETOT(band)= -0.618535 trlgG= -0.763514 logG= -0.095804 TDE= -0.782917 Density= 0.877724 ETOT(band)= -0.603788 trlgG= -0.747284 logG= -0.047078 TDE= -0.391210 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000506 tlogG= -0.011695 logG= -0.012201 Density= 0.356881 ETOT(band)= -0.259269 trlgG= -0.321041 logG= -0.012201 TDE= -0.098112 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004077 tlogG= -0.091864 logG= -0.095941 Density= 1.143003 ETOT(band)= -0.824762 trlgG= -1.018661 logG= -0.095941 TDE= -0.783241 38) Finished k-point 78 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004099 tlogG= -0.090822 logG= -0.094921 Density= 1.144414 ETOT(band)= -0.821829 trlgG= -1.014545 logG= -0.094921 TDE= -0.782842 logGD-logG0= -0.000507 tlogG= -0.011707 logG= -0.012214 Density= 0.356927 ETOT(band)= -0.259190 trlgG= -0.320983 logG= -0.012214 TDE= -0.098103 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004053 tlogG= -0.093023 logG= -0.097075 Density= 0.856873 ETOT(band)= -0.620873 trlgG= -0.768019 logG= -0.097075 TDE= -0.784167 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004093 tlogG= -0.090349 logG= -0.094442 logGD-logG0= -0.002030 tlogG= -0.045412 logG= -0.047441 Density= 0.857636 ETOT(band)= -0.616099 trlgG= -0.759719 logG= -0.094442 TDE= -0.782007 Density= 0.571835 ETOT(band)= -0.411021 trlgG= -0.506950 logG= -0.047441 TDE= -0.391221 logGD-logG0= -0.001013 tlogG= -0.023264 logG= -0.024276 Density= 0.428414 ETOT(band)= -0.310546 trlgG= -0.384186 logG= -0.024276 TDE= -0.196064 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004154 tlogG= -0.088901 logG= -0.093055 Density= 1.163927 ETOT(band)= -0.805869 trlgG= -0.994620 logG= -0.093055 TDE= -0.781336 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005085 tlogG= -0.082878 logG= -0.087963 Density= 1.208298 ETOT(band)= -0.769041 trlgG= -0.948388 logG= -0.087963 TDE= -0.778316 logGD-logG0= -0.004688 tlogG= -0.084573 logG= -0.089261 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 1.198859 ETOT(band)= -0.777223 trlgG= -0.959234 logG= -0.089261 TDE= -0.779211 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004083 tlogG= -0.092309 logG= -0.096391 Density= 0.857022 ETOT(band)= -0.619396 trlgG= -0.765381 logG= -0.096391 TDE= -0.783304 logGD-logG0= -0.004525 tlogG= -0.088678 logG= -0.093203 Density= 1.175679 ETOT(band)= -0.799567 trlgG= -0.988323 logG= -0.093203 TDE= -0.781799 logGD-logG0= -0.004093 tlogG= -0.092020 logG= -0.096113 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.857041 ETOT(band)= -0.618878 trlgG= -0.764474 logG= -0.096113 TDE= -0.783012 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002034 tlogG= -0.046467 logG= -0.048501 Density= 0.856887 ETOT(band)= -0.620615 trlgG= -0.767674 logG= -0.048501 TDE= -0.391991 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.004542 tlogG= -0.085408 logG= -0.089950 Density= 1.194321 ETOT(band)= -0.781311 trlgG= -0.964731 logG= -0.089950 TDE= -0.779713 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002022 tlogG= -0.046718 logG= -0.048740 Density= 0.571070 ETOT(band)= -0.414642 trlgG= -0.513322 logG= -0.048740 TDE= -0.392366 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002026 tlogG= -0.046704 logG= -0.048731 Density= 0.571145 ETOT(band)= -0.414410 trlgG= -0.512994 logG= -0.048731 TDE= -0.392283 logGD-logG0= -0.002133 tlogG= -0.044267 logG= -0.046400 Density= 0.587368 ETOT(band)= -0.399470 trlgG= -0.493446 logG= -0.046400 TDE= -0.390625 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004075 tlogG= -0.088298 logG= -0.092374 Density= 0.862399 ETOT(band)= -0.610219 trlgG= -0.751974 logG= -0.092374 TDE= -0.781037 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004236 tlogG= -0.088325 logG= -0.092561 Density= 1.172467 ETOT(band)= -0.799705 trlgG= -0.987230 logG= -0.092561 TDE= -0.780954 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Sum of eigenvalues= -385.851556948397 eV TrLogG= -476.396289531819 eV Ratio to renormalize= 1.000766112728 rho-rho_expected=-0.031386576207 nargs= 1 argi=dmft2.def 7) Finished k-point number 15 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 13) Finished k-point number 27 1 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 11) Finished k-point number 24 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 39) Finished k-point number 80 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 49) Finished k-point number 99 1 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 22) Finished k-point number 45 1 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 58) Finished k-point number 117 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 19) Finished k-point number 40 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 49) Finished k-point number 100 2 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 5) Finished k-point number 12 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 41) Finished k-point number 83 1 with #bands= 19 26) Finished k-point number 53 1 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 26) Finished k-point number 54 2 with #bands= 19 25) Finished k-point number 52 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 21) Finished k-point number 43 1 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 44) Finished k-point number 89 1 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 9) Finished k-point number 20 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 3) Finished k-point number 8 2 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 40) Finished k-point number 82 2 with #bands= 19 28) Finished k-point number 57 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 55) Finished k-point number 112 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.861826455776070 0.869090820037616 0.846861977067798 58) Finished k-point number 117 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 55) Finished k-point number 111 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 59) Finished k-point number 119 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 4) Finished k-point number 9 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 40) Finished k-point number 81 1 with #bands= 19 31) Finished k-point number 63 1 with #bands= 19 39) Finished k-point number 79 1 with #bands= 19 16) Finished k-point number 33 1 with #bands= 19 10) Finished k-point number 21 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 19) Finished k-point number 39 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 32) Finished k-point number 66 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 31) Finished k-point number 64 2 with #bands= 19 10) Finished k-point number 22 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 13) Finished k-point number 28 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 55) Finished k-point number 112 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 2) Finished k-point number 6 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 6) Finished k-point number 14 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 50) Finished k-point number 102 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 57) Finished k-point number 116 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 56) Finished k-point number 114 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 25) Finished k-point number 52 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 8.78595409724883 Density= 41.0488116271031 41.0000000000000 EF 8.51384026513524 Density= 40.6989461245274 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.64575577 0.62575577 0.488116E-01 -0.301054 1 0.64296547 0.64575577 -0.287460E-02 0.488116E-01 2 0.64312065 0.64296547 0.201194E-03 -0.287460E-02 3 0.64311050 0.64296547 0.681802E-06 -0.287460E-02 4 0.64311047 0.64311050 -0.178346E-11 0.681802E-06 Absolute convergence of |F(X)|. Difference in EF too large to mix -3.599122832842137E-002 cutoff= 2.9999999E-02 Difference in EF= -0.0359912283 EF set to : 8.7499628689 new EF (no-mixing): 8.7499628689 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.000510 tlogG= -0.011614 logG= -0.012123 Density= 0.071386 ETOT(band)= -0.051868 trlgG= -0.064148 logG= -0.012123 TDE= -0.097934 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000676 tlogG= -0.015432 logG= -0.016108 Density= 0.095146 ETOT(band)= -0.069197 trlgG= -0.085526 logG= -0.016108 TDE= -0.130607 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000675 tlogG= -0.015412 logG= -0.016086 Density= 0.095184 ETOT(band)= -0.069129 trlgG= -0.085422 logG= -0.016086 TDE= -0.130550 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001303 tlogG= -0.011724 logG= -0.013027 Density= 0.104369 ETOT(band)= -0.060762 trlgG= -0.074407 logG= -0.013027 TDE= -0.128501 logGD-logG0= -0.002059 tlogG= -0.045231 logG= -0.047290 Density= 0.285941 ETOT(band)= -0.206123 trlgG= -0.254406 logG= -0.047290 TDE= -0.391008 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 37) Finished k-point 75 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000674 tlogG= -0.015158 logG= -0.015832 Density= 0.095252 ETOT(band)= -0.068827 trlgG= -0.084845 logG= -0.015832 TDE= -0.130270 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002038 tlogG= -0.046270 logG= -0.048309 Density= 0.285574 ETOT(band)= -0.207287 trlgG= -0.256212 logG= -0.048309 TDE= -0.391559 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001090 tlogG= -0.012528 logG= -0.013618 logGD-logG0= -0.002048 tlogG= -0.046142 logG= -0.048190 Density= 0.285591 ETOT(band)= -0.207053 trlgG= -0.255859 logG= -0.048190 TDE= -0.391336 Density= 0.104050 ETOT(band)= -0.061493 trlgG= -0.075669 logG= -0.013618 TDE= -0.128966 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000803 tlogG= -0.013610 logG= -0.014412 Density= 0.103416 ETOT(band)= -0.062588 trlgG= -0.077453 logG= -0.014412 TDE= -0.129549 logGD-logG0= -0.004079 tlogG= -0.091992 logG= -0.096072 Density= 0.571240 ETOT(band)= -0.414023 trlgG= -0.511299 logG= -0.096072 TDE= -0.782597 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000508 tlogG= -0.011562 logG= -0.012070 Density= 0.071352 ETOT(band)= -0.051896 trlgG= -0.064135 logG= -0.012070 TDE= -0.097952 logGD-logG0= -0.002047 tlogG= -0.045722 logG= -0.047769 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 Density= 0.285665 ETOT(band)= -0.206739 trlgG= -0.255234 logG= -0.047769 TDE= -0.391179 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002048 tlogG= -0.045935 logG= -0.047983 Density= 0.285619 ETOT(band)= -0.206905 trlgG= -0.255498 logG= -0.047983 TDE= -0.391199 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003456 tlogG= -0.036841 logG= -0.040298 Density= 0.312444 ETOT(band)= -0.183794 trlgG= -0.225823 logG= -0.040298 TDE= -0.386461 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002537 tlogG= -0.043231 logG= -0.045768 Density= 0.294111 ETOT(band)= -0.199828 trlgG= -0.246650 logG= -0.045768 TDE= -0.390029 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001014 tlogG= -0.023171 logG= -0.024185 Density= 0.142746 ETOT(band)= -0.103778 trlgG= -0.128285 logG= -0.024185 TDE= -0.195901 logGD-logG0= -0.002345 tlogG= -0.043885 logG= -0.046231 logGD-logG0= -0.003265 tlogG= -0.037444 logG= -0.040710 Density= 0.312085 ETOT(band)= -0.184378 trlgG= -0.226755 logG= -0.040710 TDE= -0.386751 Density= 0.293904 ETOT(band)= -0.200357 trlgG= -0.247557 logG= -0.046231 TDE= -0.390339 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002035 tlogG= -0.046247 logG= -0.048282 Density= 0.285569 ETOT(band)= -0.207328 trlgG= -0.256227 logG= -0.048282 TDE= -0.391598 logGD-logG0= -0.001221 tlogG= -0.021804 logG= -0.023024 Density= 0.147006 ETOT(band)= -0.100071 trlgG= -0.123602 logG= -0.023024 TDE= -0.195119 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002028 tlogG= -0.046341 logG= -0.048369 Density= 0.285455 ETOT(band)= -0.207602 trlgG= -0.256628 logG= -0.048369 TDE= -0.391838 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002544 tlogG= -0.040208 logG= -0.042751 Density= 0.308366 ETOT(band)= -0.188442 trlgG= -0.232686 logG= -0.042751 TDE= -0.388248 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002448 tlogG= -0.042649 logG= -0.045096 Density= 0.294191 ETOT(band)= -0.199172 trlgG= -0.245263 logG= -0.045096 TDE= -0.389365 20) Finished k-point 41 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002066 tlogG= -0.043819 logG= -0.045885 Density= 0.286000 ETOT(band)= -0.204764 trlgG= -0.251780 logG= -0.045885 TDE= -0.389825 logGD-logG0= -0.002034 tlogG= -0.046421 logG= -0.048455 Density= 0.285530 ETOT(band)= -0.207521 trlgG= -0.256606 logG= -0.048455 TDE= -0.391778 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002030 tlogG= -0.046089 logG= -0.048119 Density= 0.285603 ETOT(band)= -0.207178 trlgG= -0.255902 logG= -0.048119 TDE= -0.391457 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004699 tlogG= -0.085932 logG= -0.090631 Density= 0.588156 ETOT(band)= -0.398847 trlgG= -0.491375 logG= -0.090631 TDE= -0.778994 logGD-logG0= -0.002674 tlogG= -0.040543 logG= -0.043217 Density= 0.294694 ETOT(band)= -0.197165 trlgG= -0.241948 logG= -0.043217 TDE= -0.388252 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002654 tlogG= -0.042543 logG= -0.045196 Density= 0.294254 ETOT(band)= -0.199232 trlgG= -0.245522 logG= -0.045196 TDE= -0.389563 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002272 tlogG= -0.044203 logG= -0.046474 logGD-logG0= -0.002140 tlogG= -0.044492 logG= -0.046632 Density= 0.293800 ETOT(band)= -0.200648 trlgG= -0.248056 logG= -0.046474 TDE= -0.390528 logGD-logG0= -0.002026 tlogG= -0.045022 logG= -0.047048 Density= 0.293267 ETOT(band)= -0.201113 trlgG= -0.248620 logG= -0.046632 TDE= -0.390591 Density= 0.285840 ETOT(band)= -0.205992 trlgG= -0.253671 logG= -0.047048 TDE= -0.390450 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002029 tlogG= -0.046317 logG= -0.048346 Density= 0.285532 ETOT(band)= -0.207466 trlgG= -0.256441 logG= -0.048346 TDE= -0.391723 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005093 tlogG= -0.084447 logG= -0.089539 Density= 0.588574 ETOT(band)= -0.397642 trlgG= -0.489254 logG= -0.089539 TDE= -0.778233 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002024 tlogG= -0.046096 logG= -0.048121 Density= 0.285603 ETOT(band)= -0.207192 trlgG= -0.255918 logG= -0.048121 TDE= -0.391472 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004657 tlogG= -0.082261 logG= -0.086918 Density= 0.605899 ETOT(band)= -0.384676 trlgG= -0.474743 logG= -0.086918 TDE= -0.777485 logGD-logG0= -0.002030 tlogG= -0.045907 logG= -0.047937 Density= 0.285648 ETOT(band)= -0.206953 trlgG= -0.255481 logG= -0.047937 TDE= -0.391247 logGD-logG0= -0.002147 tlogG= -0.043016 logG= -0.045163 Density= 0.293868 ETOT(band)= -0.199402 trlgG= -0.245788 logG= -0.045163 TDE= -0.389614 logGD-logG0= -0.002054 tlogG= -0.044100 logG= -0.046153 22) Finished k-point 45 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 Density= 0.285968 ETOT(band)= -0.205044 trlgG= -0.252246 logG= -0.046153 TDE= -0.390001 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004082 tlogG= -0.090326 logG= -0.094408 Density= 0.571551 ETOT(band)= -0.412305 trlgG= -0.508152 logG= -0.094408 TDE= -0.781314 logGD-logG0= -0.002052 tlogG= -0.042876 logG= -0.044928 logGD-logG0= -0.004263 tlogG= -0.085777 logG= -0.090040 Density= 0.289216 ETOT(band)= -0.201954 trlgG= -0.248523 logG= -0.044928 TDE= -0.389593 Density= 0.586713 ETOT(band)= -0.399099 trlgG= -0.491628 logG= -0.090040 TDE= -0.778909 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004128 tlogG= -0.090183 logG= -0.094311 Density= 0.571492 ETOT(band)= -0.412120 trlgG= -0.508193 logG= -0.094311 TDE= -0.781415 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002030 tlogG= -0.044418 logG= -0.046448 Density= 0.285981 ETOT(band)= -0.205339 trlgG= -0.252704 logG= -0.046448 TDE= -0.390174 logGD-logG0= -0.004072 tlogG= -0.091717 logG= -0.095789 Density= 0.571303 ETOT(band)= -0.413809 trlgG= -0.510794 logG= -0.095789 TDE= -0.782416 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004847 tlogG= -0.081278 logG= -0.086125 Density= 0.610214 ETOT(band)= -0.381357 trlgG= -0.470580 logG= -0.086125 TDE= -0.776890 logGD-logG0= -0.004172 tlogG= -0.089312 logG= -0.093484 Density= 0.579569 ETOT(band)= -0.406544 trlgG= -0.501980 logG= -0.093484 TDE= -0.781223 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002029 tlogG= -0.046404 logG= -0.048433 Density= 0.285494 ETOT(band)= -0.207589 trlgG= -0.256664 logG= -0.048433 TDE= -0.391835 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004101 tlogG= -0.089099 logG= -0.093201 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.572380 ETOT(band)= -0.410677 trlgG= -0.505827 logG= -0.093201 TDE= -0.780730 logGD-logG0= -0.002056 tlogG= -0.045230 logG= -0.047285 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.285698 ETOT(band)= -0.206202 trlgG= -0.254117 logG= -0.047285 TDE= -0.390568 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004251 tlogG= -0.088792 logG= -0.093042 logGD-logG0= -0.005334 tlogG= -0.079289 logG= -0.084624 Density= 0.585254 ETOT(band)= -0.402705 trlgG= -0.497536 logG= -0.093042 TDE= -0.780877 Density= 0.619081 ETOT(band)= -0.374680 trlgG= -0.462305 logG= -0.084624 TDE= -0.775818 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002044 tlogG= -0.046247 logG= -0.048291 Density= 0.285580 ETOT(band)= -0.207196 trlgG= -0.256106 logG= -0.048291 TDE= -0.391474 logGD-logG0= -0.002044 tlogG= -0.045478 logG= -0.047522 Density= 0.285728 ETOT(band)= -0.206494 trlgG= -0.254809 logG= -0.047522 TDE= -0.391041 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002053 tlogG= -0.045799 logG= -0.047852 Density= 0.285628 ETOT(band)= -0.206742 trlgG= -0.255218 logG= -0.047852 TDE= -0.391056 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.004113 tlogG= -0.090574 logG= -0.094686 Density= 0.571452 ETOT(band)= -0.412538 trlgG= -0.508883 logG= -0.094686 TDE= -0.781704 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002049 tlogG= -0.045408 logG= -0.047457 Density= 0.285695 ETOT(band)= -0.206389 trlgG= -0.254449 logG= -0.047457 TDE= -0.390725 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004176 tlogG= -0.086465 logG= -0.090642 Density= 0.583222 ETOT(band)= -0.401751 trlgG= -0.494882 logG= -0.090642 TDE= -0.779316 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004551 tlogG= -0.086655 logG= -0.091206 Density= 0.587959 ETOT(band)= -0.399495 trlgG= -0.492524 logG= -0.091206 TDE= -0.779441 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000085 tlogG= -0.001926 logG= -0.002010 Density= 0.083244 ETOT(band)= -0.060545 trlgG= -0.074822 logG= -0.002010 TDE= -0.016325 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.000677 tlogG= -0.014551 logG= -0.015228 Density= 0.166798 ETOT(band)= -0.120024 trlgG= -0.147989 logG= -0.015228 TDE= -0.129972 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001015 tlogG= -0.023140 logG= -0.024154 Density= 0.237857 ETOT(band)= -0.172995 trlgG= -0.213813 logG= -0.024154 TDE= -0.195911 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 25 logGD-logG0= -0.002026 tlogG= -0.046313 logG= -0.048339 Density= 0.380692 ETOT(band)= -0.276637 trlgG= -0.341908 logG= -0.048339 TDE= -0.391760 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000512 tlogG= -0.011566 logG= -0.012077 Density= 0.356986 ETOT(band)= -0.258843 trlgG= -0.319881 logG= -0.012077 TDE= -0.097860 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002045 tlogG= -0.046130 logG= -0.048175 Density= 0.571213 ETOT(band)= -0.413991 trlgG= -0.511373 logG= -0.048175 TDE= -0.391368 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002025 tlogG= -0.045846 logG= -0.047871 Density= 0.380921 ETOT(band)= -0.275724 trlgG= -0.340197 logG= -0.047871 TDE= -0.391197 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002041 tlogG= -0.046113 logG= -0.048154 Density= 0.856839 ETOT(band)= -0.621155 trlgG= -0.767195 logG= -0.048154 TDE= -0.391413 logGD-logG0= -0.003669 tlogG= -0.036041 logG= -0.039709 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 Density= 0.417127 ETOT(band)= -0.243832 trlgG= -0.298977 logG= -0.039709 TDE= -0.385999 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002039 tlogG= -0.046364 logG= -0.048403 Density= 0.571133 ETOT(band)= -0.414669 trlgG= -0.512620 logG= -0.048403 TDE= -0.391650 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001069 tlogG= -0.022348 logG= -0.023417 Density= 0.439854 ETOT(band)= -0.301788 trlgG= -0.373156 logG= -0.023417 TDE= -0.195391 logGD-logG0= -0.000507 tlogG= -0.011585 logG= -0.012092 Density= 0.356816 ETOT(band)= -0.259506 trlgG= -0.320790 logG= -0.012092 TDE= -0.097962 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 57) Finished k-point 116 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000508 tlogG= -0.011619 logG= -0.012128 Density= 0.356908 ETOT(band)= -0.259417 trlgG= -0.320789 logG= -0.012128 TDE= -0.097959 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002937 tlogG= -0.038804 logG= -0.041740 Density= 0.415601 ETOT(band)= -0.247128 trlgG= -0.304603 logG= -0.041740 TDE= -0.387555 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002027 tlogG= -0.046338 logG= -0.048365 Density= 0.428216 ETOT(band)= -0.311359 trlgG= -0.384882 logG= -0.048365 TDE= -0.391821 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002038 tlogG= -0.044540 logG= -0.046578 Density= 0.571852 ETOT(band)= -0.411615 trlgG= -0.507349 logG= -0.046578 TDE= -0.390237 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000511 tlogG= -0.011589 logG= -0.012100 Density= 0.356972 ETOT(band)= -0.259021 trlgG= -0.320185 logG= -0.012100 TDE= -0.097892 logGD-logG0= -0.002086 tlogG= -0.044851 logG= -0.046937 Density= 0.869111 ETOT(band)= -0.610138 trlgG= -0.753503 logG= -0.046937 TDE= -0.390793 logGD-logG0= -0.000508 tlogG= -0.011608 logG= -0.012115 Density= 0.356864 ETOT(band)= -0.259496 trlgG= -0.320849 logG= -0.012115 TDE= -0.097968 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002171 tlogG= -0.041939 logG= -0.044110 Density= 0.400393 ETOT(band)= -0.259121 trlgG= -0.319746 logG= -0.044110 TDE= -0.389173 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002033 tlogG= -0.046353 logG= -0.048386 Density= 0.571115 ETOT(band)= -0.414772 trlgG= -0.512682 logG= -0.048386 TDE= -0.391707 logGD-logG0= -0.001023 tlogG= -0.022813 logG= -0.023836 Density= 0.428575 ETOT(band)= -0.309821 trlgG= -0.382368 logG= -0.023836 TDE= -0.195590 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002037 tlogG= -0.045978 logG= -0.048015 Density= 0.856926 ETOT(band)= -0.620847 trlgG= -0.766451 logG= -0.048015 TDE= -0.391329 logGD-logG0= -0.002781 tlogG= -0.039308 logG= -0.042089 Density= 0.605363 ETOT(band)= -0.385953 trlgG= -0.476365 logG= -0.042089 TDE= -0.387795 logGD-logG0= -0.002652 tlogG= -0.039882 logG= -0.042534 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 Density= 0.458000 ETOT(band)= -0.286756 trlgG= -0.354272 logG= -0.042534 TDE= -0.388139 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002808 tlogG= -0.039037 logG= -0.041845 Density= 0.622288 ETOT(band)= -0.370900 trlgG= -0.456652 logG= -0.041845 TDE= -0.387547 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002192 tlogG= -0.041784 logG= -0.043976 Density= 0.592968 ETOT(band)= -0.395500 trlgG= -0.488195 logG= -0.043976 TDE= -0.388993 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002064 tlogG= -0.045265 logG= -0.047329 Density= 0.857213 ETOT(band)= -0.618349 trlgG= -0.762638 logG= -0.047329 TDE= -0.390866 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002039 tlogG= -0.045665 logG= -0.047704 Density= 0.571344 ETOT(band)= -0.413410 trlgG= -0.510194 logG= -0.047704 TDE= -0.390979 logGD-logG0= -0.006182 tlogG= -0.076298 logG= -0.082481 Density= 0.936078 ETOT(band)= -0.553836 trlgG= -0.681569 logG= -0.082481 TDE= -0.774331 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002453 tlogG= -0.041549 logG= -0.044002 Density= 0.602859 ETOT(band)= -0.386426 trlgG= -0.476145 logG= -0.044002 TDE= -0.388848 logGD-logG0= -0.002443 tlogG= -0.043363 logG= -0.045806 Density= 0.588246 ETOT(band)= -0.399070 trlgG= -0.491973 logG= -0.045806 TDE= -0.390013 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001016 tlogG= -0.023088 logG= -0.024104 Density= 0.428392 ETOT(band)= -0.310818 trlgG= -0.383952 logG= -0.024104 TDE= -0.195775 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002029 tlogG= -0.046368 logG= -0.048397 Density= 0.571042 ETOT(band)= -0.415005 trlgG= -0.513014 logG= -0.048397 TDE= -0.391790 logGD-logG0= -0.001325 tlogG= -0.021406 logG= -0.022731 Density= 0.441361 ETOT(band)= -0.298979 trlgG= -0.368549 logG= -0.022731 TDE= -0.194903 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 24 logGD-logG0= -0.002057 tlogG= -0.045452 logG= -0.047510 Density= 0.857152 ETOT(band)= -0.618973 trlgG= -0.763662 logG= -0.047510 TDE= -0.391006 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.004126 tlogG= -0.089171 logG= -0.093297 Density= 0.857644 ETOT(band)= -0.615886 trlgG= -0.757949 logG= -0.093297 TDE= -0.780501 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004055 tlogG= -0.092524 logG= -0.096579 Density= 0.856707 ETOT(band)= -0.621985 trlgG= -0.768534 logG= -0.096579 TDE= -0.783320 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002132 tlogG= -0.042199 logG= -0.044331 Density= 0.589938 ETOT(band)= -0.397881 trlgG= -0.491180 logG= -0.044331 TDE= -0.389242 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004693 tlogG= -0.087300 logG= -0.091992 Density= 1.176047 ETOT(band)= -0.799088 trlgG= -0.985532 logG= -0.091992 TDE= -0.780243 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002663 tlogG= -0.041759 logG= -0.044421 Density= 0.589079 ETOT(band)= -0.395618 trlgG= -0.485903 logG= -0.044421 TDE= -0.388855 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005079 tlogG= -0.085941 logG= -0.091020 Density= 1.176878 ETOT(band)= -0.796786 trlgG= -0.981512 logG= -0.091020 TDE= -0.779583 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002142 tlogG= -0.043906 logG= -0.046048 Density= 0.587377 ETOT(band)= -0.399836 trlgG= -0.493121 logG= -0.046048 TDE= -0.390043 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004060 tlogG= -0.091049 logG= -0.095110 Density= 0.857298 ETOT(band)= -0.619069 trlgG= -0.763031 logG= -0.095110 TDE= -0.781760 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004091 tlogG= -0.091154 logG= -0.095245 Density= 1.142937 ETOT(band)= -0.825477 trlgG= -1.018015 logG= -0.095245 TDE= -0.782083 38) Finished k-point 78 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004108 tlogG= -0.089632 logG= -0.093740 Density= 0.857582 ETOT(band)= -0.616630 trlgG= -0.759216 logG= -0.093740 TDE= -0.780842 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004114 tlogG= -0.090109 logG= -0.094223 logGD-logG0= -0.004066 tlogG= -0.092319 logG= -0.096385 Density= 0.856829 ETOT(band)= -0.621414 trlgG= -0.767547 logG= -0.096385 TDE= -0.783013 Density= 1.144376 ETOT(band)= -0.822526 trlgG= -1.013877 logG= -0.094223 TDE= -0.781683 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002037 tlogG= -0.045056 logG= -0.047093 Density= 0.571806 ETOT(band)= -0.411375 trlgG= -0.506622 logG= -0.047093 TDE= -0.390642 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004708 tlogG= -0.083836 logG= -0.088544 Density= 1.198939 ETOT(band)= -0.777946 trlgG= -0.958534 logG= -0.088544 TDE= -0.778025 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004107 tlogG= -0.091303 logG= -0.095411 Density= 0.856989 ETOT(band)= -0.619408 trlgG= -0.763972 logG= -0.095411 TDE= -0.781846 logGD-logG0= -0.004090 tlogG= -0.087579 logG= -0.091668 Density= 0.862499 ETOT(band)= -0.610664 trlgG= -0.751377 logG= -0.091668 TDE= -0.779869 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004253 tlogG= -0.087599 logG= -0.091852 Density= 1.172490 ETOT(band)= -0.800415 trlgG= -0.986542 logG= -0.091852 TDE= -0.779782 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005107 tlogG= -0.082133 logG= -0.087240 Density= 1.208270 ETOT(band)= -0.769842 trlgG= -0.947753 logG= -0.087240 TDE= -0.777122 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002050 tlogG= -0.046017 logG= -0.048066 Density= 0.571232 ETOT(band)= -0.413681 trlgG= -0.510836 logG= -0.048066 TDE= -0.391226 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004560 tlogG= -0.084676 logG= -0.089237 Density= 1.194415 ETOT(band)= -0.782025 trlgG= -0.964033 logG= -0.089237 TDE= -0.778533 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004097 tlogG= -0.091596 logG= -0.095693 Density= 0.856972 ETOT(band)= -0.619930 trlgG= -0.764891 logG= -0.095693 TDE= -0.782143 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002125 tlogG= -0.044600 logG= -0.046725 Density= 0.877786 ETOT(band)= -0.604298 trlgG= -0.746758 logG= -0.046725 TDE= -0.390627 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004170 tlogG= -0.088180 logG= -0.092350 Density= 1.164119 ETOT(band)= -0.806463 trlgG= -0.993820 logG= -0.092350 TDE= -0.780170 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004545 tlogG= -0.087953 logG= -0.092498 Density= 1.175645 ETOT(band)= -0.800331 trlgG= -0.987710 logG= -0.092498 TDE= -0.780635 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Sum of eigenvalues= -386.197502011326 eV TrLogG= -476.078126501199 eV Ratio to renormalize= 1.000776941555 rho-rho_expected=-0.031829873814 nargs= 1 argi=dmft2.def 59) Finished k-point number 119 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 52) Finished k-point number 105 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 11) Finished k-point number 23 1 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 52) Finished k-point number 106 2 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 18) Finished k-point number 37 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 22) Finished k-point number 46 2 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 56) Finished k-point number 114 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 44) Finished k-point number 89 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 6) Finished k-point number 14 2 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 10) Finished k-point number 21 1 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 10) Finished k-point number 22 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 51) Finished k-point number 103 1 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 51) Finished k-point number 104 2 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 58) Finished k-point number 118 2 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 30) Finished k-point number 62 2 with #bands= 19 29) Finished k-point number 59 1 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 26) Finished k-point number 54 2 with #bands= 19 35) Finished k-point number 71 1 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 35) Finished k-point number 72 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 19) Finished k-point number 40 2 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 2) Finished k-point number 6 2 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.861723214428741 0.868998003660468 0.846750400997063 58) Finished k-point number 117 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 55) Finished k-point number 111 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 41) Finished k-point number 83 1 with #bands= 19 39) Finished k-point number 79 1 with #bands= 19 4) Finished k-point number 9 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 30) Finished k-point number 61 1 with #bands= 19 16) Finished k-point number 33 1 with #bands= 19 31) Finished k-point number 63 1 with #bands= 19 7) Finished k-point number 15 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 21) Finished k-point number 43 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 41) Finished k-point number 84 2 with #bands= 19 17) Finished k-point number 36 2 with #bands= 19 34) Finished k-point number 70 2 with #bands= 19 30) Finished k-point number 62 2 with #bands= 19 32) Finished k-point number 66 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 55) Finished k-point number 112 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 4) Finished k-point number 10 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 19) Finished k-point number 40 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 20) Finished k-point number 42 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 2) Finished k-point number 6 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 8) Finished k-point number 18 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 8.74996286892040 Density= 40.9648539304039 41.0000000000000 EF 9.02207670103399 Density= 41.3211343646019 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.66311047 0.64311047 0.321134 -0.351461E-01 1 0.65311047 0.64311048 0.133891 -0.351461E-01 2 0.64811048 0.64311071 0.596296E-01 -0.351461E-01 3 0.64561059 0.64311036 0.152533E-01 -0.351461E-01 4 0.64481581 0.64561059 -0.163025E-03 0.152533E-01 5 0.64482422 0.64481581 0.310665E-05 -0.163025E-03 6 0.64482406 0.64481581 0.595968E-09 -0.163025E-03 7 0.64482406 0.64482406 -0.138032E-08 0.595968E-09 8 0.64482406 0.64482406 -0.138032E-08 0.595968E-09 Absolute convergence of the X interval. Difference in EF= 0.0233146470 EF set to : 8.7732775159 new EF (no-mixing): 8.7732775159 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.000509 tlogG= -0.011643 logG= -0.012152 Density= 0.071388 ETOT(band)= -0.051820 trlgG= -0.064129 logG= -0.012152 TDE= -0.098009 logGD-logG0= -0.000674 tlogG= -0.015451 logG= -0.016125 Density= 0.095186 ETOT(band)= -0.069064 trlgG= -0.085396 logG= -0.016125 TDE= -0.130649 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000675 tlogG= -0.015471 logG= -0.016147 Density= 0.095147 ETOT(band)= -0.069133 trlgG= -0.085500 logG= -0.016147 TDE= -0.130706 logGD-logG0= -0.001301 tlogG= -0.011769 logG= -0.013070 logGD-logG0= -0.000507 tlogG= -0.011592 logG= -0.012099 Density= 0.071354 ETOT(band)= -0.051848 trlgG= -0.064114 logG= -0.012099 TDE= -0.098026 Density= 0.104367 ETOT(band)= -0.060689 trlgG= -0.074376 logG= -0.013070 TDE= -0.128604 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002056 tlogG= -0.045350 logG= -0.047407 Density= 0.285945 ETOT(band)= -0.205933 trlgG= -0.254329 logG= -0.047407 TDE= -0.391307 37) Finished k-point 75 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000673 tlogG= -0.015198 logG= -0.015871 Density= 0.095254 ETOT(band)= -0.068763 trlgG= -0.084819 logG= -0.015871 TDE= -0.130370 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002045 tlogG= -0.045841 logG= -0.047886 logGD-logG0= -0.001088 tlogG= -0.012571 logG= -0.013659 Density= 0.285672 ETOT(band)= -0.206547 trlgG= -0.255156 logG= -0.047886 TDE= -0.391478 logGD-logG0= -0.004074 tlogG= -0.092230 logG= -0.096304 Density= 0.571252 ETOT(band)= -0.413639 trlgG= -0.511141 logG= -0.096304 TDE= -0.783194 Density= 0.104048 ETOT(band)= -0.061419 trlgG= -0.075636 logG= -0.013659 TDE= -0.129069 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002046 tlogG= -0.046054 logG= -0.048100 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.285626 ETOT(band)= -0.206713 trlgG= -0.255420 logG= -0.048100 TDE= -0.391498 logGD-logG0= -0.000801 tlogG= -0.013651 logG= -0.014452 Density= 0.103413 ETOT(band)= -0.062515 trlgG= -0.077419 logG= -0.014452 TDE= -0.129650 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002051 tlogG= -0.045919 logG= -0.047969 Density= 0.285634 ETOT(band)= -0.206551 trlgG= -0.255141 logG= -0.047969 TDE= -0.391356 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002042 tlogG= -0.046366 logG= -0.048408 Density= 0.285586 ETOT(band)= -0.207005 trlgG= -0.256027 logG= -0.048408 TDE= -0.391773 logGD-logG0= -0.002045 tlogG= -0.046261 logG= -0.048307 Density= 0.285597 ETOT(band)= -0.206862 trlgG= -0.255781 logG= -0.048307 TDE= -0.391635 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003451 tlogG= -0.036972 logG= -0.040423 Density= 0.312438 ETOT(band)= -0.183574 trlgG= -0.225725 logG= -0.040423 TDE= -0.386770 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002036 tlogG= -0.046389 logG= -0.048425 logGD-logG0= -0.002532 tlogG= -0.043354 logG= -0.045886 Density= 0.294114 ETOT(band)= -0.199627 trlgG= -0.246564 logG= -0.045886 TDE= -0.390330 Density= 0.285581 ETOT(band)= -0.207095 trlgG= -0.256133 logG= -0.048425 TDE= -0.391858 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003260 tlogG= -0.037575 logG= -0.040834 Density= 0.312078 ETOT(band)= -0.184159 trlgG= -0.226658 logG= -0.040834 TDE= -0.387059 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001218 tlogG= -0.021865 logG= -0.023083 Density= 0.147008 ETOT(band)= -0.099970 trlgG= -0.123558 logG= -0.023083 TDE= -0.195269 logGD-logG0= -0.002027 tlogG= -0.046208 logG= -0.048235 Density= 0.285609 ETOT(band)= -0.206986 trlgG= -0.255822 logG= -0.048235 TDE= -0.391755 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001013 tlogG= -0.023230 logG= -0.024243 Density= 0.142748 ETOT(band)= -0.103681 trlgG= -0.128245 logG= -0.024243 TDE= -0.196049 logGD-logG0= -0.002341 tlogG= -0.044008 logG= -0.046349 Density= 0.293907 ETOT(band)= -0.200156 trlgG= -0.247470 logG= -0.046349 TDE= -0.390640 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002539 tlogG= -0.040333 logG= -0.042873 Density= 0.308347 ETOT(band)= -0.188233 trlgG= -0.232596 logG= -0.042873 TDE= -0.388553 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002022 tlogG= -0.046215 logG= -0.048237 Density= 0.285609 ETOT(band)= -0.207000 trlgG= -0.255839 logG= -0.048237 TDE= -0.391769 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002443 tlogG= -0.042772 logG= -0.045215 Density= 0.294194 ETOT(band)= -0.198971 trlgG= -0.245178 logG= -0.045215 TDE= -0.389666 20) Finished k-point 41 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002026 tlogG= -0.046459 logG= -0.048485 Density= 0.285461 ETOT(band)= -0.207409 trlgG= -0.256548 logG= -0.048485 TDE= -0.392135 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002648 tlogG= -0.042668 logG= -0.045316 Density= 0.294257 ETOT(band)= -0.199031 trlgG= -0.245436 logG= -0.045316 TDE= -0.389865 logGD-logG0= -0.004691 tlogG= -0.086178 logG= -0.090868 Density= 0.588162 ETOT(band)= -0.398445 trlgG= -0.491204 logG= -0.090868 TDE= -0.779597 logGD-logG0= -0.002024 tlogG= -0.045141 logG= -0.047165 Density= 0.285846 ETOT(band)= -0.205801 trlgG= -0.253594 logG= -0.047165 TDE= -0.390750 logGD-logG0= -0.002063 tlogG= -0.043941 logG= -0.046004 Density= 0.286008 ETOT(band)= -0.204573 trlgG= -0.251706 logG= -0.046004 TDE= -0.390127 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002268 tlogG= -0.044324 logG= -0.046592 Density= 0.293803 ETOT(band)= -0.200446 trlgG= -0.247968 logG= -0.046592 TDE= -0.390828 logGD-logG0= -0.002136 tlogG= -0.044613 logG= -0.046749 Density= 0.293259 ETOT(band)= -0.200917 trlgG= -0.248539 logG= -0.046749 TDE= -0.390891 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002027 tlogG= -0.046435 logG= -0.048462 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.285538 ETOT(band)= -0.207273 trlgG= -0.256361 logG= -0.048462 TDE= -0.392021 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002051 tlogG= -0.044221 logG= -0.046272 Density= 0.285975 ETOT(band)= -0.204853 trlgG= -0.252171 logG= -0.046272 TDE= -0.390303 logGD-logG0= -0.002144 tlogG= -0.043138 logG= -0.045282 Density= 0.293866 ETOT(band)= -0.199204 trlgG= -0.245706 logG= -0.045282 TDE= -0.389916 logGD-logG0= -0.002053 tlogG= -0.045350 logG= -0.047403 logGD-logG0= -0.004244 tlogG= -0.089034 logG= -0.093278 Density= 0.585228 ETOT(band)= -0.402326 trlgG= -0.497387 logG= -0.093278 TDE= -0.781478 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.285705 ETOT(band)= -0.206011 trlgG= -0.254042 logG= -0.047403 TDE= -0.390869 logGD-logG0= -0.004649 tlogG= -0.082510 logG= -0.087158 Density= 0.605832 ETOT(band)= -0.384291 trlgG= -0.474597 logG= -0.087158 TDE= -0.778093 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 22) Finished k-point 45 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.004257 tlogG= -0.086022 logG= -0.090279 Density= 0.586704 ETOT(band)= -0.398710 trlgG= -0.491473 logG= -0.090279 TDE= -0.779515 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004170 tlogG= -0.086709 logG= -0.090879 logGD-logG0= -0.004166 tlogG= -0.089553 logG= -0.093719 Density= 0.583175 ETOT(band)= -0.401388 trlgG= -0.494755 logG= -0.090879 TDE= -0.779921 logGD-logG0= -0.004839 tlogG= -0.081528 logG= -0.086367 Density= 0.610154 ETOT(band)= -0.380962 trlgG= -0.470425 logG= -0.086367 TDE= -0.777499 Density= 0.579504 ETOT(band)= -0.406196 trlgG= -0.501864 logG= -0.093719 TDE= -0.781823 logGD-logG0= -0.004122 tlogG= -0.090424 logG= -0.094546 Density= 0.571507 ETOT(band)= -0.411738 trlgG= -0.508040 logG= -0.094546 TDE= -0.782016 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002031 tlogG= -0.046540 logG= -0.048571 Density= 0.285536 ETOT(band)= -0.207328 trlgG= -0.256527 logG= -0.048571 TDE= -0.392076 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002032 tlogG= -0.046366 logG= -0.048398 Density= 0.285575 ETOT(band)= -0.207136 trlgG= -0.256148 logG= -0.048398 TDE= -0.391895 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004543 tlogG= -0.086899 logG= -0.091442 Density= 0.587964 ETOT(band)= -0.399093 trlgG= -0.492352 logG= -0.091442 TDE= -0.780043 logGD-logG0= -0.002041 tlogG= -0.045597 logG= -0.047638 Density= 0.285734 ETOT(band)= -0.206302 trlgG= -0.254730 logG= -0.047638 TDE= -0.391340 logGD-logG0= -0.004096 tlogG= -0.089340 logG= -0.093436 Density= 0.572385 ETOT(band)= -0.410299 trlgG= -0.505677 logG= -0.093436 TDE= -0.781329 logGD-logG0= -0.002046 tlogG= -0.045528 logG= -0.047574 Density= 0.285702 ETOT(band)= -0.206198 trlgG= -0.254372 logG= -0.047574 TDE= -0.391025 logGD-logG0= -0.005325 tlogG= -0.079543 logG= -0.084868 Density= 0.619058 ETOT(band)= -0.374250 trlgG= -0.462114 logG= -0.084868 TDE= -0.776430 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005083 tlogG= -0.084695 logG= -0.089778 Density= 0.588581 ETOT(band)= -0.397240 trlgG= -0.489084 logG= -0.089778 TDE= -0.778837 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002669 tlogG= -0.040670 logG= -0.043339 Density= 0.294700 ETOT(band)= -0.196964 trlgG= -0.241868 logG= -0.043339 TDE= -0.388558 logGD-logG0= -0.002027 tlogG= -0.046522 logG= -0.048549 Density= 0.285500 ETOT(band)= -0.207396 trlgG= -0.256584 logG= -0.048549 TDE= -0.392132 logGD-logG0= -0.002049 tlogG= -0.042998 logG= -0.045047 Density= 0.289177 ETOT(band)= -0.201787 trlgG= -0.248474 logG= -0.045047 TDE= -0.389895 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.004107 tlogG= -0.090813 logG= -0.094920 Density= 0.571467 ETOT(band)= -0.412155 trlgG= -0.508729 logG= -0.094920 TDE= -0.782304 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002027 tlogG= -0.046026 logG= -0.048053 Density= 0.285654 ETOT(band)= -0.206761 trlgG= -0.255402 logG= -0.048053 TDE= -0.391545 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004067 tlogG= -0.091954 logG= -0.096021 Density= 0.571315 ETOT(band)= -0.413425 trlgG= -0.510636 logG= -0.096021 TDE= -0.783012 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002028 tlogG= -0.044538 logG= -0.046565 Density= 0.285987 ETOT(band)= -0.205148 trlgG= -0.252629 logG= -0.046565 TDE= -0.390474 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004077 tlogG= -0.090566 logG= -0.094642 Density= 0.571564 ETOT(band)= -0.411922 trlgG= -0.507997 logG= -0.094642 TDE= -0.781913 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000085 tlogG= -0.001931 logG= -0.002015 Density= 0.083245 ETOT(band)= -0.060489 trlgG= -0.074799 logG= -0.002015 TDE= -0.016337 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.000511 tlogG= -0.011595 logG= -0.012106 Density= 0.356994 ETOT(band)= -0.258605 trlgG= -0.319785 logG= -0.012106 TDE= -0.097935 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000510 tlogG= -0.011618 logG= -0.012129 Density= 0.356979 ETOT(band)= -0.258782 trlgG= -0.320087 logG= -0.012129 TDE= -0.097967 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002024 tlogG= -0.046432 logG= -0.048455 Density= 0.380700 ETOT(band)= -0.276380 trlgG= -0.341802 logG= -0.048455 TDE= -0.392057 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001014 tlogG= -0.023199 logG= -0.024212 Density= 0.237862 ETOT(band)= -0.172833 trlgG= -0.213746 logG= -0.024212 TDE= -0.196059 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 25 logGD-logG0= -0.002042 tlogG= -0.046249 logG= -0.048292 Density= 0.571226 ETOT(band)= -0.413609 trlgG= -0.511217 logG= -0.048292 TDE= -0.391667 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000676 tlogG= -0.014592 logG= -0.015268 Density= 0.166801 ETOT(band)= -0.119913 trlgG= -0.147944 logG= -0.015268 TDE= -0.130072 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002038 tlogG= -0.046232 logG= -0.048270 Density= 0.856858 ETOT(band)= -0.620580 trlgG= -0.766958 logG= -0.048270 TDE= -0.391712 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001068 tlogG= -0.022408 logG= -0.023476 logGD-logG0= -0.002036 tlogG= -0.046483 logG= -0.048519 Density= 0.439842 ETOT(band)= -0.301496 trlgG= -0.373034 logG= -0.023476 TDE= -0.195540 Density= 0.571145 ETOT(band)= -0.414285 trlgG= -0.512461 logG= -0.048519 TDE= -0.391948 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002022 tlogG= -0.045965 logG= -0.047987 Density= 0.380928 ETOT(band)= -0.275469 trlgG= -0.340092 logG= -0.047987 TDE= -0.391496 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003662 tlogG= -0.036174 logG= -0.039836 Density= 0.417119 ETOT(band)= -0.243539 trlgG= -0.298850 logG= -0.039836 TDE= -0.386308 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000507 tlogG= -0.011614 logG= -0.012121 Density= 0.356823 ETOT(band)= -0.259265 trlgG= -0.320689 logG= -0.012121 TDE= -0.098036 logGD-logG0= -0.001015 tlogG= -0.023147 logG= -0.024162 Density= 0.428401 ETOT(band)= -0.310529 trlgG= -0.383833 logG= -0.024162 TDE= -0.195924 57) Finished k-point 116 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002932 tlogG= -0.038931 logG= -0.041863 Density= 0.415592 ETOT(band)= -0.246834 trlgG= -0.304468 logG= -0.041863 TDE= -0.387861 logGD-logG0= -0.002083 tlogG= -0.044971 logG= -0.047054 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.869012 ETOT(band)= -0.609617 trlgG= -0.753328 logG= -0.047054 TDE= -0.391092 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002025 tlogG= -0.046456 logG= -0.048481 Density= 0.428225 ETOT(band)= -0.311069 trlgG= -0.384762 logG= -0.048481 TDE= -0.392118 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002167 tlogG= -0.042062 logG= -0.044229 logGD-logG0= -0.002036 tlogG= -0.044660 logG= -0.046696 Density= 0.571863 ETOT(band)= -0.411234 trlgG= -0.507196 logG= -0.046696 TDE= -0.390538 Density= 0.400364 ETOT(band)= -0.258861 trlgG= -0.319643 logG= -0.044229 TDE= -0.389475 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002648 tlogG= -0.040007 logG= -0.042655 Density= 0.457994 ETOT(band)= -0.286435 trlgG= -0.354126 logG= -0.042655 TDE= -0.388444 logGD-logG0= -0.000507 tlogG= -0.011637 logG= -0.012144 Density= 0.356871 ETOT(band)= -0.259255 trlgG= -0.320749 logG= -0.012144 TDE= -0.098042 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002776 tlogG= -0.039435 logG= -0.042211 Density= 0.605359 ETOT(band)= -0.385531 trlgG= -0.476178 logG= -0.042211 TDE= -0.388101 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002803 tlogG= -0.039166 logG= -0.041968 logGD-logG0= -0.000508 tlogG= -0.011649 logG= -0.012157 Density= 0.356916 ETOT(band)= -0.259176 trlgG= -0.320690 logG= -0.012157 TDE= -0.098034 Density= 0.622276 ETOT(band)= -0.370462 trlgG= -0.456457 logG= -0.041968 TDE= -0.387854 logGD-logG0= -0.004050 tlogG= -0.092761 logG= -0.096811 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.856724 ETOT(band)= -0.621408 trlgG= -0.768296 logG= -0.096811 TDE= -0.783915 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002047 tlogG= -0.046136 logG= -0.048183 Density= 0.571245 ETOT(band)= -0.413300 trlgG= -0.510682 logG= -0.048183 TDE= -0.391526 logGD-logG0= -0.002055 tlogG= -0.045572 logG= -0.047627 Density= 0.857173 ETOT(band)= -0.618399 trlgG= -0.763430 logG= -0.047627 TDE= -0.391306 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002036 tlogG= -0.045784 logG= -0.047821 Density= 0.571357 ETOT(band)= -0.413027 trlgG= -0.510037 logG= -0.047821 TDE= -0.391278 logGD-logG0= -0.001322 tlogG= -0.021468 logG= -0.022791 Density= 0.441366 ETOT(band)= -0.298677 trlgG= -0.368421 logG= -0.022791 TDE= -0.195053 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 24 logGD-logG0= -0.002449 tlogG= -0.041674 logG= -0.044122 Density= 0.602844 ETOT(band)= -0.386016 trlgG= -0.475972 logG= -0.044122 TDE= -0.389152 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002189 tlogG= -0.041908 logG= -0.044097 Density= 0.592954 ETOT(band)= -0.395103 trlgG= -0.488030 logG= -0.044097 TDE= -0.389297 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002439 tlogG= -0.043485 logG= -0.045924 Density= 0.588252 ETOT(band)= -0.398667 trlgG= -0.491799 logG= -0.045924 TDE= -0.390314 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006172 tlogG= -0.076556 logG= -0.082728 logGD-logG0= -0.002061 tlogG= -0.045385 logG= -0.047447 Density= 0.936058 ETOT(band)= -0.553175 trlgG= -0.681272 logG= -0.082728 TDE= -0.774945 Density= 0.857236 ETOT(band)= -0.617776 trlgG= -0.762409 logG= -0.047447 TDE= -0.391166 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002026 tlogG= -0.046487 logG= -0.048513 Density= 0.571053 ETOT(band)= -0.414620 trlgG= -0.512854 logG= -0.048513 TDE= -0.392088 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002129 tlogG= -0.042322 logG= -0.044450 Density= 0.589920 ETOT(band)= -0.397489 trlgG= -0.491019 logG= -0.044450 TDE= -0.389544 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001022 tlogG= -0.022872 logG= -0.023894 Density= 0.428585 ETOT(band)= -0.309533 trlgG= -0.382250 logG= -0.023894 TDE= -0.195740 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.004121 tlogG= -0.089413 logG= -0.093533 Density= 0.857667 ETOT(band)= -0.615314 trlgG= -0.757724 logG= -0.093533 TDE= -0.781104 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004684 tlogG= -0.087544 logG= -0.092229 Density= 1.176059 ETOT(band)= -0.798284 trlgG= -0.985187 logG= -0.092229 TDE= -0.780844 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002031 tlogG= -0.046472 logG= -0.048502 Density= 0.571127 ETOT(band)= -0.414387 trlgG= -0.512523 logG= -0.048502 TDE= -0.392004 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004102 tlogG= -0.091543 logG= -0.095645 Density= 0.857009 ETOT(band)= -0.618836 trlgG= -0.763743 logG= -0.095645 TDE= -0.782447 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004164 tlogG= -0.088422 logG= -0.092585 Density= 1.164013 ETOT(band)= -0.805749 trlgG= -0.993573 logG= -0.092585 TDE= -0.780771 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002122 tlogG= -0.044721 logG= -0.046843 Density= 0.877745 ETOT(band)= -0.603729 trlgG= -0.746534 logG= -0.046843 TDE= -0.390927 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004102 tlogG= -0.089872 logG= -0.093975 Density= 0.857603 ETOT(band)= -0.616058 trlgG= -0.758989 logG= -0.093975 TDE= -0.781443 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004700 tlogG= -0.084084 logG= -0.088783 Density= 1.198886 ETOT(band)= -0.777151 trlgG= -0.958213 logG= -0.088783 TDE= -0.778633 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004537 tlogG= -0.088196 logG= -0.092733 Density= 1.175655 ETOT(band)= -0.799525 trlgG= -0.987362 logG= -0.092733 TDE= -0.781235 logGD-logG0= -0.002658 tlogG= -0.041884 logG= -0.044542 Density= 0.589089 ETOT(band)= -0.395216 trlgG= -0.485738 logG= -0.044542 TDE= -0.389158 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002035 tlogG= -0.046097 logG= -0.048131 Density= 0.856945 ETOT(band)= -0.620270 trlgG= -0.766214 logG= -0.048131 TDE= -0.391627 logGD-logG0= -0.004247 tlogG= -0.087842 logG= -0.092089 Density= 1.172463 ETOT(band)= -0.799641 trlgG= -0.986236 logG= -0.092089 TDE= -0.780385 logGD-logG0= -0.004108 tlogG= -0.090348 logG= -0.094457 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 Density= 1.144389 ETOT(band)= -0.821768 trlgG= -1.013573 logG= -0.094457 TDE= -0.782282 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005098 tlogG= -0.082383 logG= -0.087481 Density= 1.208257 ETOT(band)= -0.769010 trlgG= -0.947399 logG= -0.087481 TDE= -0.777732 logGD-logG0= -0.004092 tlogG= -0.091835 logG= -0.095927 Density= 0.856992 ETOT(band)= -0.619356 trlgG= -0.764659 logG= -0.095927 TDE= -0.782742 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004553 tlogG= -0.084922 logG= -0.089475 Density= 1.194352 ETOT(band)= -0.781240 trlgG= -0.963719 logG= -0.089475 TDE= -0.779139 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005069 tlogG= -0.086188 logG= -0.091258 Density= 1.176892 ETOT(band)= -0.795981 trlgG= -0.981170 logG= -0.091258 TDE= -0.780185 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004055 tlogG= -0.091288 logG= -0.095343 Density= 0.857315 ETOT(band)= -0.618495 trlgG= -0.762797 logG= -0.095343 TDE= -0.782358 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002034 tlogG= -0.045176 logG= -0.047210 Density= 0.571818 ETOT(band)= -0.410994 trlgG= -0.506469 logG= -0.047210 TDE= -0.390941 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002138 tlogG= -0.044027 logG= -0.046166 Density= 0.587370 ETOT(band)= -0.399441 trlgG= -0.492957 logG= -0.046166 TDE= -0.390343 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004084 tlogG= -0.087820 logG= -0.091905 Density= 0.862455 ETOT(band)= -0.610125 trlgG= -0.751187 logG= -0.091905 TDE= -0.780472 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004061 tlogG= -0.092556 logG= -0.096617 Density= 0.856847 ETOT(band)= -0.620837 trlgG= -0.767310 logG= -0.096617 TDE= -0.783609 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004086 tlogG= -0.091392 logG= -0.095478 Density= 1.142963 ETOT(band)= -0.824711 trlgG= -1.017704 logG= -0.095478 TDE= -0.782681 38) Finished k-point 78 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Sum of eigenvalues= -385.824142802843 eV TrLogG= -475.923797949913 eV Ratio to renormalize= 1.000779364620 rho-rho_expected=-0.031929065040 nargs= 1 argi=dmft2.def 53) Finished k-point number 107 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 34) Finished k-point number 69 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 46) Finished k-point number 93 1 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 48) Finished k-point number 97 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 40) Finished k-point number 82 2 with #bands= 19 3) Finished k-point number 8 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 46) Finished k-point number 94 2 with #bands= 19 42) Finished k-point number 85 1 with #bands= 19 41) Finished k-point number 84 2 with #bands= 19 7) Finished k-point number 16 2 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 22) Finished k-point number 46 2 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 38) Finished k-point number 78 2 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 26) Finished k-point number 54 2 with #bands= 19 33) Finished k-point number 68 2 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 9) Finished k-point number 19 1 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 10) Finished k-point number 22 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 15) Finished k-point number 31 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 44) Finished k-point number 90 2 with #bands= 19 36) Finished k-point number 73 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 12) Finished k-point number 26 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 35) Finished k-point number 71 1 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.862090235974745 0.869350904620316 0.847158395840244 58) Finished k-point number 117 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 18) Finished k-point number 37 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 55) Finished k-point number 111 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 37) Finished k-point number 75 1 with #bands= 19 50) Finished k-point number 101 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 20) Finished k-point number 41 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 4) Finished k-point number 9 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 30) Finished k-point number 61 1 with #bands= 19 40) Finished k-point number 81 1 with #bands= 19 1) Finished k-point number 3 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 31) Finished k-point number 64 2 with #bands= 19 42) Finished k-point number 86 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 20) Finished k-point number 42 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 41) Finished k-point number 84 2 with #bands= 19 18) Finished k-point number 38 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 30) Finished k-point number 62 2 with #bands= 19 1) Finished k-point number 4 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 46) Finished k-point number 94 2 with #bands= 19 7) Finished k-point number 16 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 44) Finished k-point number 90 2 with #bands= 19 21) Finished k-point number 44 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 8.77327751588490 Density= 41.0285385585974 41.0000000000000 EF 8.50116368377131 Density= 40.6884041815902 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.64482406 0.62482406 0.285386E-01 -0.311596 1 0.64314599 0.64482406 -0.360017E-02 0.285386E-01 2 0.64333396 0.64314599 0.135855E-03 -0.360017E-02 3 0.64332713 0.64314599 0.577348E-06 -0.360017E-02 4 0.64332710 0.64332713 -0.129319E-11 0.577348E-06 Absolute convergence of |F(X)|. Difference in EF= -0.0203672127 EF set to : 8.7529103032 new EF (no-mixing): 8.7529103032 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.000508 tlogG= -0.011540 logG= -0.012048 Density= 0.071352 ETOT(band)= -0.051870 trlgG= -0.064087 logG= -0.012048 TDE= -0.097942 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.000677 tlogG= -0.015402 logG= -0.016078 Density= 0.095145 ETOT(band)= -0.069163 trlgG= -0.085463 logG= -0.016078 TDE= -0.130593 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000675 tlogG= -0.015381 logG= -0.016056 Density= 0.095183 ETOT(band)= -0.069094 trlgG= -0.085358 logG= -0.016056 TDE= -0.130536 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002061 tlogG= -0.045137 logG= -0.047197 Density= 0.285938 ETOT(band)= -0.206018 trlgG= -0.254211 logG= -0.047197 TDE= -0.390965 logGD-logG0= -0.001303 tlogG= -0.011690 logG= -0.012993 37) Finished k-point 75 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 Density= 0.104368 ETOT(band)= -0.060722 trlgG= -0.074333 logG= -0.012993 TDE= -0.128483 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000510 tlogG= -0.011591 logG= -0.012101 Density= 0.071385 ETOT(band)= -0.051842 trlgG= -0.064100 logG= -0.012101 TDE= -0.097923 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002040 tlogG= -0.046177 logG= -0.048217 Density= 0.285571 ETOT(band)= -0.207183 trlgG= -0.256018 logG= -0.048217 TDE= -0.391517 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002050 tlogG= -0.046047 logG= -0.048096 logGD-logG0= -0.002049 tlogG= -0.045628 logG= -0.047677 Density= 0.285588 ETOT(band)= -0.206947 trlgG= -0.255661 logG= -0.048096 TDE= -0.391292 logGD-logG0= -0.000674 tlogG= -0.015127 logG= -0.015802 Density= 0.285662 ETOT(band)= -0.206635 trlgG= -0.255040 logG= -0.047677 TDE= -0.391136 Density= 0.095251 ETOT(band)= -0.068792 trlgG= -0.084780 logG= -0.015802 TDE= -0.130256 logGD-logG0= -0.001090 tlogG= -0.012495 logG= -0.013586 Density= 0.104050 ETOT(band)= -0.061454 trlgG= -0.075597 logG= -0.013586 TDE= -0.128950 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002050 tlogG= -0.045841 logG= -0.047891 Density= 0.285616 ETOT(band)= -0.206800 trlgG= -0.255302 logG= -0.047891 TDE= -0.391155 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000803 tlogG= -0.013577 logG= -0.014381 Density= 0.103417 ETOT(band)= -0.062550 trlgG= -0.077383 logG= -0.014381 TDE= -0.129533 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.004083 tlogG= -0.091805 logG= -0.095888 Density= 0.571234 ETOT(band)= -0.413814 trlgG= -0.510910 logG= -0.095888 TDE= -0.782511 logGD-logG0= -0.002055 tlogG= -0.045704 logG= -0.047758 Density= 0.285624 ETOT(band)= -0.206637 trlgG= -0.255021 logG= -0.047758 TDE= -0.391012 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002046 tlogG= -0.046153 logG= -0.048199 Density= 0.285577 ETOT(band)= -0.207092 trlgG= -0.255909 logG= -0.048199 TDE= -0.391430 logGD-logG0= -0.003458 tlogG= -0.036741 logG= -0.040199 Density= 0.312443 ETOT(band)= -0.183676 trlgG= -0.225606 logG= -0.040199 TDE= -0.386410 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003266 tlogG= -0.037344 logG= -0.040610 Density= 0.312084 ETOT(band)= -0.184260 trlgG= -0.226539 logG= -0.040610 TDE= -0.386700 logGD-logG0= -0.001014 tlogG= -0.023126 logG= -0.024140 Density= 0.142744 ETOT(band)= -0.103726 trlgG= -0.128189 logG= -0.024140 TDE= -0.195880 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002539 tlogG= -0.043133 logG= -0.045672 Density= 0.294108 ETOT(band)= -0.199720 trlgG= -0.246449 logG= -0.045672 TDE= -0.389984 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002026 tlogG= -0.046004 logG= -0.048030 Density= 0.285601 ETOT(band)= -0.207088 trlgG= -0.255725 logG= -0.048030 TDE= -0.391429 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001222 tlogG= -0.021755 logG= -0.022977 Density= 0.147005 ETOT(band)= -0.100017 trlgG= -0.123502 logG= -0.022977 TDE= -0.195097 logGD-logG0= -0.002450 tlogG= -0.042552 logG= -0.045001 Density= 0.294188 ETOT(band)= -0.199064 trlgG= -0.245062 logG= -0.045001 TDE= -0.389320 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 20) Finished k-point 41 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002031 tlogG= -0.045997 logG= -0.048028 Density= 0.285600 ETOT(band)= -0.207074 trlgG= -0.255708 logG= -0.048028 TDE= -0.391415 logGD-logG0= -0.002347 tlogG= -0.043789 logG= -0.046136 Density= 0.293901 ETOT(band)= -0.200249 trlgG= -0.247356 logG= -0.046136 TDE= -0.390295 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002054 tlogG= -0.042781 logG= -0.044835 Density= 0.289237 ETOT(band)= -0.201833 trlgG= -0.248310 logG= -0.044835 TDE= -0.389549 logGD-logG0= -0.002031 tlogG= -0.046226 logG= -0.048256 Density= 0.285529 ETOT(band)= -0.207362 trlgG= -0.256248 logG= -0.048256 TDE= -0.391681 logGD-logG0= -0.002676 tlogG= -0.040445 logG= -0.043121 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004703 tlogG= -0.085738 logG= -0.090441 Density= 0.588150 ETOT(band)= -0.398630 trlgG= -0.490973 logG= -0.090441 TDE= -0.778904 Density= 0.294689 ETOT(band)= -0.197056 trlgG= -0.241743 logG= -0.043121 TDE= -0.388204 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002067 tlogG= -0.043723 logG= -0.045791 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.285996 ETOT(band)= -0.204659 trlgG= -0.251582 logG= -0.045791 TDE= -0.389780 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002142 tlogG= -0.044397 logG= -0.046539 Density= 0.293267 ETOT(band)= -0.201004 trlgG= -0.248420 logG= -0.046539 TDE= -0.390548 logGD-logG0= -0.002030 tlogG= -0.046251 logG= -0.048281 Density= 0.285453 ETOT(band)= -0.207498 trlgG= -0.256437 logG= -0.048281 TDE= -0.391796 logGD-logG0= -0.002028 tlogG= -0.044928 logG= -0.046956 Density= 0.285838 ETOT(band)= -0.205887 trlgG= -0.253477 logG= -0.046956 TDE= -0.390408 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004255 tlogG= -0.088599 logG= -0.092854 Density= 0.585257 ETOT(band)= -0.402486 trlgG= -0.497132 logG= -0.092854 TDE= -0.780789 logGD-logG0= -0.005097 tlogG= -0.084251 logG= -0.089348 Density= 0.588566 ETOT(band)= -0.397425 trlgG= -0.488850 logG= -0.089348 TDE= -0.778142 logGD-logG0= -0.002149 tlogG= -0.042920 logG= -0.045070 Density= 0.293867 ETOT(band)= -0.199293 trlgG= -0.245587 logG= -0.045070 TDE= -0.389571 logGD-logG0= -0.002032 tlogG= -0.044323 logG= -0.046355 Density= 0.285978 ETOT(band)= -0.205233 trlgG= -0.252509 logG= -0.046355 TDE= -0.390132 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002545 tlogG= -0.040110 logG= -0.042655 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.308361 ETOT(band)= -0.188330 trlgG= -0.232479 logG= -0.042655 TDE= -0.388201 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002274 tlogG= -0.044107 logG= -0.046381 Density= 0.293798 ETOT(band)= -0.200540 trlgG= -0.247857 logG= -0.046381 TDE= -0.390484 logGD-logG0= -0.002057 tlogG= -0.045134 logG= -0.047191 logGD-logG0= -0.002056 tlogG= -0.044004 logG= -0.046060 Density= 0.285695 ETOT(band)= -0.206097 trlgG= -0.253920 logG= -0.047191 TDE= -0.390524 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.285964 ETOT(band)= -0.204939 trlgG= -0.252049 logG= -0.046060 TDE= -0.389958 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002031 tlogG= -0.045815 logG= -0.047846 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.285645 ETOT(band)= -0.206848 trlgG= -0.255287 logG= -0.047846 TDE= -0.391204 logGD-logG0= -0.004085 tlogG= -0.090138 logG= -0.094223 Density= 0.571544 ETOT(band)= -0.412095 trlgG= -0.507762 logG= -0.094223 TDE= -0.781228 logGD-logG0= -0.002036 tlogG= -0.046155 logG= -0.048191 Density= 0.285566 ETOT(band)= -0.207224 trlgG= -0.256034 logG= -0.048191 TDE= -0.391555 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002656 tlogG= -0.042444 logG= -0.045100 logGD-logG0= -0.002035 tlogG= -0.046329 logG= -0.048365 Density= 0.285527 ETOT(band)= -0.207416 trlgG= -0.256413 logG= -0.048365 TDE= -0.391736 Density= 0.294250 ETOT(band)= -0.199123 trlgG= -0.245319 logG= -0.045100 TDE= -0.389517 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004131 tlogG= -0.089992 logG= -0.094123 Density= 0.571485 ETOT(band)= -0.411910 trlgG= -0.507799 logG= -0.094123 TDE= -0.781327 logGD-logG0= -0.004075 tlogG= -0.091531 logG= -0.095606 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.571297 ETOT(band)= -0.413600 trlgG= -0.510406 logG= -0.095606 TDE= -0.782331 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004850 tlogG= -0.081083 logG= -0.085933 Density= 0.610228 ETOT(band)= -0.381120 trlgG= -0.470153 logG= -0.085933 TDE= -0.776796 logGD-logG0= -0.002031 tlogG= -0.046313 logG= -0.048344 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.285491 ETOT(band)= -0.207485 trlgG= -0.256472 logG= -0.048344 TDE= -0.391793 logGD-logG0= -0.005337 tlogG= -0.079092 logG= -0.084430 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.619066 ETOT(band)= -0.374456 trlgG= -0.461890 logG= -0.084430 TDE= -0.775722 logGD-logG0= -0.004176 tlogG= -0.089122 logG= -0.093297 Density= 0.579591 ETOT(band)= -0.406315 trlgG= -0.501567 logG= -0.093297 TDE= -0.781136 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004180 tlogG= -0.086274 logG= -0.090454 Density= 0.583233 ETOT(band)= -0.401526 trlgG= -0.494473 logG= -0.090454 TDE= -0.779229 logGD-logG0= -0.004267 tlogG= -0.085584 logG= -0.089851 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.586708 ETOT(band)= -0.398882 trlgG= -0.491225 logG= -0.089851 TDE= -0.778820 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004555 tlogG= -0.086463 logG= -0.091017 Density= 0.587954 ETOT(band)= -0.399279 trlgG= -0.492124 logG= -0.091017 TDE= -0.779353 logGD-logG0= -0.004660 tlogG= -0.082068 logG= -0.086728 Density= 0.605914 ETOT(band)= -0.384441 trlgG= -0.474320 logG= -0.086728 TDE= -0.777394 logGD-logG0= -0.002046 tlogG= -0.045384 logG= -0.047430 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.285724 ETOT(band)= -0.206390 trlgG= -0.254615 logG= -0.047430 TDE= -0.390999 logGD-logG0= -0.002050 tlogG= -0.045314 logG= -0.047364 22) Finished k-point 45 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 Density= 0.285692 ETOT(band)= -0.206285 trlgG= -0.254253 logG= -0.047364 TDE= -0.390682 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004116 tlogG= -0.090384 logG= -0.094500 Density= 0.571445 ETOT(band)= -0.412328 trlgG= -0.508491 logG= -0.094500 TDE= -0.781617 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004105 tlogG= -0.088910 logG= -0.093015 Density= 0.572378 ETOT(band)= -0.410464 trlgG= -0.505432 logG= -0.093015 TDE= -0.780644 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000085 tlogG= -0.001922 logG= -0.002007 Density= 0.083243 ETOT(band)= -0.060515 trlgG= -0.074767 logG= -0.002007 TDE= -0.016323 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.000512 tlogG= -0.011542 logG= -0.012054 Density= 0.356982 ETOT(band)= -0.258711 trlgG= -0.319635 logG= -0.012054 TDE= -0.097849 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001016 tlogG= -0.023095 logG= -0.024110 Density= 0.237855 ETOT(band)= -0.172908 trlgG= -0.213654 logG= -0.024110 TDE= -0.195890 logGD-logG0= -0.000511 tlogG= -0.011565 logG= -0.012076 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 25 Density= 0.356968 ETOT(band)= -0.258890 trlgG= -0.319940 logG= -0.012076 TDE= -0.097882 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000677 tlogG= -0.014520 logG= -0.015197 Density= 0.166797 ETOT(band)= -0.119963 trlgG= -0.147874 logG= -0.015197 TDE= -0.129958 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002047 tlogG= -0.046036 logG= -0.048083 Density= 0.571207 ETOT(band)= -0.413781 trlgG= -0.510981 logG= -0.048083 TDE= -0.391325 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002040 tlogG= -0.046271 logG= -0.048312 Density= 0.571127 ETOT(band)= -0.414460 trlgG= -0.512231 logG= -0.048312 TDE= -0.391607 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003670 tlogG= -0.035939 logG= -0.039609 Density= 0.417125 ETOT(band)= -0.243672 trlgG= -0.298684 logG= -0.039609 TDE= -0.385947 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001071 tlogG= -0.022300 logG= -0.023371 Density= 0.439856 ETOT(band)= -0.301625 trlgG= -0.372856 logG= -0.023371 TDE= -0.195369 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002043 tlogG= -0.046020 logG= -0.048063 Density= 0.856829 ETOT(band)= -0.620842 trlgG= -0.766611 logG= -0.048063 TDE= -0.391370 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002026 tlogG= -0.045754 logG= -0.047780 Density= 0.380917 ETOT(band)= -0.275585 trlgG= -0.339938 logG= -0.047780 TDE= -0.391155 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002938 tlogG= -0.038705 logG= -0.041643 Density= 0.415600 ETOT(band)= -0.246972 trlgG= -0.304319 logG= -0.041643 TDE= -0.387507 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002040 tlogG= -0.044446 logG= -0.046485 Density= 0.571846 ETOT(band)= -0.411405 trlgG= -0.506958 logG= -0.046485 TDE= -0.390194 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002172 tlogG= -0.041843 logG= -0.044016 Density= 0.400406 ETOT(band)= -0.258965 trlgG= -0.319466 logG= -0.044016 TDE= -0.389128 logGD-logG0= -0.000508 tlogG= -0.011562 logG= -0.012070 Density= 0.356813 ETOT(band)= -0.259377 trlgG= -0.320551 logG= -0.012070 TDE= -0.097952 57) Finished k-point 116 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.001024 tlogG= -0.022766 logG= -0.023790 Density= 0.428570 ETOT(band)= -0.309665 trlgG= -0.382077 logG= -0.023790 TDE= -0.195569 logGD-logG0= -0.002039 tlogG= -0.045885 logG= -0.047924 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 Density= 0.856917 ETOT(band)= -0.620534 trlgG= -0.765870 logG= -0.047924 TDE= -0.391286 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002654 tlogG= -0.039784 logG= -0.042438 Density= 0.457999 ETOT(band)= -0.286586 trlgG= -0.353961 logG= -0.042438 TDE= -0.388092 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002088 tlogG= -0.044756 logG= -0.046844 Density= 0.869144 ETOT(band)= -0.609794 trlgG= -0.752882 logG= -0.046844 TDE= -0.390749 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002782 tlogG= -0.039210 logG= -0.041992 Density= 0.605360 ETOT(band)= -0.385728 trlgG= -0.475951 logG= -0.041992 TDE= -0.387747 logGD-logG0= -0.002066 tlogG= -0.045170 logG= -0.047236 Density= 0.857202 ETOT(band)= -0.618034 trlgG= -0.762047 logG= -0.047236 TDE= -0.390822 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002040 tlogG= -0.045572 logG= -0.047612 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.571337 ETOT(band)= -0.413201 trlgG= -0.509805 logG= -0.047612 TDE= -0.390936 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002809 tlogG= -0.038938 logG= -0.041747 Density= 0.622277 ETOT(band)= -0.370670 trlgG= -0.456228 logG= -0.041747 TDE= -0.387498 logGD-logG0= -0.002051 tlogG= -0.045922 logG= -0.047973 Density= 0.571225 ETOT(band)= -0.413471 trlgG= -0.510441 logG= -0.047973 TDE= -0.391182 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002445 tlogG= -0.043266 logG= -0.045711 Density= 0.588239 ETOT(band)= -0.398854 trlgG= -0.491571 logG= -0.045711 TDE= -0.389969 logGD-logG0= -0.006185 tlogG= -0.076100 logG= -0.082285 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.936076 ETOT(band)= -0.553482 trlgG= -0.680923 logG= -0.082285 TDE= -0.774232 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001017 tlogG= -0.023042 logG= -0.024059 Density= 0.428388 ETOT(band)= -0.310661 trlgG= -0.383662 logG= -0.024059 TDE= -0.195754 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002059 tlogG= -0.045358 logG= -0.047417 Density= 0.857141 ETOT(band)= -0.618659 trlgG= -0.763075 logG= -0.047417 TDE= -0.390963 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000508 tlogG= -0.011585 logG= -0.012093 Density= 0.356860 ETOT(band)= -0.259366 trlgG= -0.320609 logG= -0.012093 TDE= -0.097958 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002030 tlogG= -0.046277 logG= -0.048307 Density= 0.571037 ETOT(band)= -0.414797 trlgG= -0.512629 logG= -0.048307 TDE= -0.391748 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002194 tlogG= -0.041687 logG= -0.043881 Density= 0.592955 ETOT(band)= -0.395286 trlgG= -0.487795 logG= -0.043881 TDE= -0.388947 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002455 tlogG= -0.041452 logG= -0.043907 Density= 0.602851 ETOT(band)= -0.386206 trlgG= -0.475735 logG= -0.043907 TDE= -0.388802 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004130 tlogG= -0.088979 logG= -0.093109 Density= 0.857632 ETOT(band)= -0.615570 trlgG= -0.757356 logG= -0.093109 TDE= -0.780413 logGD-logG0= -0.002134 tlogG= -0.042103 logG= -0.044236 Density= 0.589935 ETOT(band)= -0.397663 trlgG= -0.490777 logG= -0.044236 TDE= -0.389197 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002665 tlogG= -0.041660 logG= -0.044325 Density= 0.589070 ETOT(band)= -0.395400 trlgG= -0.485494 logG= -0.044325 TDE= -0.388809 logGD-logG0= -0.004697 tlogG= -0.087106 logG= -0.091803 Density= 1.176035 ETOT(band)= -0.798655 trlgG= -0.984728 logG= -0.091803 TDE= -0.780154 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002144 tlogG= -0.043811 logG= -0.045955 Density= 0.587376 ETOT(band)= -0.399618 trlgG= -0.492720 logG= -0.045955 TDE= -0.390000 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002127 tlogG= -0.044504 logG= -0.046631 Density= 0.877790 ETOT(band)= -0.603968 trlgG= -0.746151 logG= -0.046631 TDE= -0.390583 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004111 tlogG= -0.091113 logG= -0.095224 Density= 0.856978 ETOT(band)= -0.619092 trlgG= -0.763380 logG= -0.095224 TDE= -0.781759 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005084 tlogG= -0.085746 logG= -0.090829 Density= 1.176863 ETOT(band)= -0.796352 trlgG= -0.980705 logG= -0.090829 TDE= -0.779493 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004063 tlogG= -0.090863 logG= -0.094926 Density= 0.857290 ETOT(band)= -0.618755 trlgG= -0.762448 logG= -0.094926 TDE= -0.781675 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001326 tlogG= -0.021357 logG= -0.022683 Density= 0.441355 ETOT(band)= -0.298815 trlgG= -0.368245 logG= -0.022683 TDE= -0.194880 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 24 logGD-logG0= -0.002038 tlogG= -0.044962 logG= -0.047001 Density= 0.571800 ETOT(band)= -0.411165 trlgG= -0.506232 logG= -0.047001 TDE= -0.390599 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004095 tlogG= -0.090966 logG= -0.095061 Density= 1.142924 ETOT(band)= -0.825059 trlgG= -1.017236 logG= -0.095061 TDE= -0.781997 38) Finished k-point 78 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004093 tlogG= -0.087389 logG= -0.091482 Density= 0.862524 ETOT(band)= -0.610326 trlgG= -0.750764 logG= -0.091482 TDE= -0.779784 logGD-logG0= -0.004111 tlogG= -0.089442 logG= -0.093553 Density= 0.857572 ETOT(band)= -0.616315 trlgG= -0.758626 logG= -0.093553 TDE= -0.780755 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004069 tlogG= -0.092134 logG= -0.096204 Density= 0.856821 ETOT(band)= -0.621101 trlgG= -0.766966 logG= -0.096204 TDE= -0.782928 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005111 tlogG= -0.081937 logG= -0.087048 Density= 1.208247 ETOT(band)= -0.769401 trlgG= -0.946930 logG= -0.087048 TDE= -0.777029 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004549 tlogG= -0.087761 logG= -0.092311 Density= 1.175635 ETOT(band)= -0.799899 trlgG= -0.986911 logG= -0.092311 TDE= -0.780547 logGD-logG0= -0.002027 tlogG= -0.046222 logG= -0.048250 Density= 0.380689 ETOT(band)= -0.276499 trlgG= -0.341652 logG= -0.048250 TDE= -0.391717 logGD-logG0= -0.004174 tlogG= -0.087989 logG= -0.092162 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 1.164149 ETOT(band)= -0.806011 trlgG= -0.992999 logG= -0.092162 TDE= -0.780082 logGD-logG0= -0.004712 tlogG= -0.083642 logG= -0.088353 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 1.198947 ETOT(band)= -0.777492 trlgG= -0.957701 logG= -0.088353 TDE= -0.777934 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004100 tlogG= -0.091407 logG= -0.095507 Density= 0.856962 ETOT(band)= -0.619615 trlgG= -0.764303 logG= -0.095507 TDE= -0.782056 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004117 tlogG= -0.089920 logG= -0.094038 Density= 1.144370 ETOT(band)= -0.822103 trlgG= -1.013089 logG= -0.094038 TDE= -0.781598 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004257 tlogG= -0.087406 logG= -0.091663 Density= 1.172484 ETOT(band)= -0.799979 trlgG= -0.985736 logG= -0.091663 TDE= -0.779693 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004564 tlogG= -0.084484 logG= -0.089048 Density= 1.194424 ETOT(band)= -0.781574 trlgG= -0.963207 logG= -0.089048 TDE= -0.778443 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002029 tlogG= -0.046248 logG= -0.048276 Density= 0.428212 ETOT(band)= -0.311203 trlgG= -0.384595 logG= -0.048276 TDE= -0.391779 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004058 tlogG= -0.092341 logG= -0.096399 Density= 0.856699 ETOT(band)= -0.621672 trlgG= -0.767956 logG= -0.096399 TDE= -0.783235 logGD-logG0= -0.000509 tlogG= -0.011597 logG= -0.012105 Density= 0.356905 ETOT(band)= -0.259287 trlgG= -0.320548 logG= -0.012105 TDE= -0.097949 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002035 tlogG= -0.046261 logG= -0.048296 Density= 0.571110 ETOT(band)= -0.414564 trlgG= -0.512296 logG= -0.048296 TDE= -0.391664 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Sum of eigenvalues= -385.991015393330 eV TrLogG= -475.693780584324 eV Ratio to renormalize= 1.000782482335 rho-rho_expected=-0.032056691936 nargs= 1 argi=dmft2.def 10) Finished k-point number 21 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 9) Finished k-point number 19 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 1) Finished k-point number 4 2 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 55) Finished k-point number 111 1 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 20) Finished k-point number 41 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 28) Finished k-point number 58 2 with #bands= 19 3) Finished k-point number 8 2 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 20) Finished k-point number 42 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 42) Finished k-point number 86 2 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 27) Finished k-point number 55 1 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 8) Finished k-point number 17 1 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 38) Finished k-point number 78 2 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 2) Finished k-point number 6 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 52) Finished k-point number 106 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 6) Finished k-point number 13 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 6) Finished k-point number 14 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 51) Finished k-point number 103 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 33) Finished k-point number 67 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 33) Finished k-point number 68 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 44) Finished k-point number 89 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.861998657643528 0.869260395967140 0.847058983547251 4) Finished k-point number 9 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 18) Finished k-point number 37 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 31) Finished k-point number 63 1 with #bands= 19 30) Finished k-point number 61 1 with #bands= 19 17) Finished k-point number 35 1 with #bands= 19 19) Finished k-point number 39 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 56) Finished k-point number 113 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 21) Finished k-point number 43 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 36) Finished k-point number 73 1 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 13) Finished k-point number 28 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 17) Finished k-point number 36 2 with #bands= 19 18) Finished k-point number 38 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 46) Finished k-point number 94 2 with #bands= 19 34) Finished k-point number 70 2 with #bands= 19 30) Finished k-point number 62 2 with #bands= 19 39) Finished k-point number 80 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 33) Finished k-point number 68 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 35) Finished k-point number 72 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 8) Finished k-point number 18 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 29) Finished k-point number 60 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 8.75291030315948 Density= 40.6211320544788 41.0000000000000 EF 9.02502413527307 Density= 40.8625699318429 41.0000000000000 EF 9.29713796738665 Density= 41.3074757495189 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.68332710 0.66332710 0.307476 -0.137430 1 0.67332710 0.66332712 0.559275E-01 -0.137430 2 0.67064135 0.67332710 -0.246223E-02 0.559275E-01 3 0.67075460 0.67332710 -0.136798E-03 0.559275E-01 4 0.67076125 0.67332710 -0.378665E-06 0.559275E-01 5 0.67076127 0.67332710 -0.662368E-10 0.559275E-01 Absolute convergence of |F(X)|. Difference in EF too large to mix 0.373260856080995 cutoff= 2.9999999E-02 Difference in EF= 0.3732608561 EF set to : 9.1261711592 new EF (no-mixing): 9.1261711592 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.000762 tlogG= -0.016548 logG= -0.017310 Density= 0.095397 ETOT(band)= -0.068959 trlgG= -0.086501 logG= -0.017310 TDE= -0.133180 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001361 tlogG= -0.012864 logG= -0.014226 Density= 0.104348 ETOT(band)= -0.060667 trlgG= -0.075688 logG= -0.014226 TDE= -0.131455 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000765 tlogG= -0.016529 logG= -0.017294 Density= 0.095455 ETOT(band)= -0.068881 trlgG= -0.086389 logG= -0.017294 TDE= -0.133122 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000571 tlogG= -0.012399 logG= -0.012971 Density= 0.071538 ETOT(band)= -0.051719 trlgG= -0.064867 logG= -0.012971 TDE= -0.099881 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 25 logGD-logG0= -0.002318 tlogG= -0.049599 logG= -0.051917 Density= 0.286457 ETOT(band)= -0.206415 trlgG= -0.259226 logG= -0.051917 TDE= -0.399454 logGD-logG0= -0.002322 tlogG= -0.049494 logG= -0.051816 Density= 0.286480 ETOT(band)= -0.206264 trlgG= -0.259045 logG= -0.051816 TDE= -0.399388 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002325 tlogG= -0.049289 logG= -0.051614 Density= 0.286529 ETOT(band)= -0.206105 trlgG= -0.258783 logG= -0.051614 TDE= -0.399361 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000771 tlogG= -0.016278 logG= -0.017049 Density= 0.095558 ETOT(band)= -0.068562 trlgG= -0.086037 logG= -0.017049 TDE= -0.133085 logGD-logG0= -0.004633 tlogG= -0.098701 logG= -0.103334 Density= 0.573028 ETOT(band)= -0.412444 trlgG= -0.517739 logG= -0.103334 TDE= -0.798770 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000879 tlogG= -0.014737 logG= -0.015615 Density= 0.102811 ETOT(band)= -0.062876 trlgG= -0.079157 logG= -0.015615 TDE= -0.132503 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003647 tlogG= -0.040246 logG= -0.043894 Density= 0.311591 ETOT(band)= -0.184049 trlgG= -0.230213 logG= -0.043894 TDE= -0.395322 logGD-logG0= -0.000577 tlogG= -0.012452 logG= -0.013029 Density= 0.071597 ETOT(band)= -0.051677 trlgG= -0.064884 logG= -0.013029 TDE= -0.099880 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002305 tlogG= -0.049443 logG= -0.051748 Density= 0.286460 ETOT(band)= -0.206411 trlgG= -0.258955 logG= -0.051748 TDE= -0.399353 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002776 tlogG= -0.043591 logG= -0.046367 Density= 0.304167 ETOT(band)= -0.190726 trlgG= -0.239453 logG= -0.046367 TDE= -0.397110 logGD-logG0= -0.002746 tlogG= -0.046597 logG= -0.049342 Density= 0.294359 ETOT(band)= -0.199411 trlgG= -0.250218 logG= -0.049342 TDE= -0.398321 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003460 tlogG= -0.040845 logG= -0.044305 Density= 0.311512 ETOT(band)= -0.184446 trlgG= -0.230967 logG= -0.044305 TDE= -0.395612 logGD-logG0= -0.001329 tlogG= -0.023486 logG= -0.024815 Density= 0.147119 ETOT(band)= -0.099872 trlgG= -0.125401 logG= -0.024815 TDE= -0.199268 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001145 tlogG= -0.024847 logG= -0.025992 Density= 0.143138 ETOT(band)= -0.103413 trlgG= -0.129739 logG= -0.025992 TDE= -0.199759 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002571 tlogG= -0.047248 logG= -0.049819 Density= 0.294110 ETOT(band)= -0.199976 trlgG= -0.251187 logG= -0.049819 TDE= -0.398646 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002679 tlogG= -0.046018 logG= -0.048697 Density= 0.294487 ETOT(band)= -0.198738 trlgG= -0.249336 logG= -0.048697 TDE= -0.398170 logGD-logG0= -0.002297 tlogG= -0.049669 logG= -0.051966 Density= 0.286347 ETOT(band)= -0.206720 trlgG= -0.259344 logG= -0.051966 TDE= -0.399448 20) Finished k-point 41 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002327 tlogG= -0.049078 logG= -0.051405 logGD-logG0= -0.002311 tlogG= -0.049623 logG= -0.051934 Density= 0.286440 ETOT(band)= -0.206513 trlgG= -0.259263 logG= -0.051934 TDE= -0.399461 Density= 0.286592 ETOT(band)= -0.205932 trlgG= -0.258513 logG= -0.051405 TDE= -0.399343 logGD-logG0= -0.002907 tlogG= -0.043924 logG= -0.046831 Density= 0.295539 ETOT(band)= -0.196369 trlgG= -0.245709 logG= -0.046831 TDE= -0.397114 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002503 tlogG= -0.047564 logG= -0.050068 Density= 0.293975 ETOT(band)= -0.200289 trlgG= -0.251705 logG= -0.050068 TDE= -0.398825 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001156 tlogG= -0.013662 logG= -0.014817 Density= 0.103752 ETOT(band)= -0.061588 trlgG= -0.077145 logG= -0.014817 TDE= -0.131920 logGD-logG0= -0.002856 tlogG= -0.045913 logG= -0.048769 Density= 0.294821 ETOT(band)= -0.198598 trlgG= -0.248989 logG= -0.048769 TDE= -0.397975 logGD-logG0= -0.002302 tlogG= -0.049773 logG= -0.052075 Density= 0.286354 ETOT(band)= -0.206769 trlgG= -0.259502 logG= -0.052075 TDE= -0.399502 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002391 tlogG= -0.047853 logG= -0.050245 Density= 0.291893 ETOT(band)= -0.201680 trlgG= -0.253444 logG= -0.050245 TDE= -0.398989 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002288 tlogG= -0.049691 logG= -0.051979 Density= 0.286222 ETOT(band)= -0.206882 trlgG= -0.259546 logG= -0.051979 TDE= -0.399554 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005178 tlogG= -0.092666 logG= -0.097844 Density= 0.588697 ETOT(band)= -0.398021 trlgG= -0.499572 logG= -0.097844 TDE= -0.796603 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002340 tlogG= -0.048586 logG= -0.050926 Density= 0.286670 ETOT(band)= -0.205369 trlgG= -0.257737 logG= -0.050926 TDE= -0.399098 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004769 tlogG= -0.095511 logG= -0.100280 Density= 0.580874 ETOT(band)= -0.404823 trlgG= -0.508375 logG= -0.100280 TDE= -0.797722 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005539 tlogG= -0.091189 logG= -0.096728 Density= 0.589218 ETOT(band)= -0.396732 trlgG= -0.497344 logG= -0.096728 TDE= -0.795841 logGD-logG0= -0.002293 tlogG= -0.049755 logG= -0.052048 Density= 0.286287 ETOT(band)= -0.206854 trlgG= -0.259569 logG= -0.052048 TDE= -0.399551 logGD-logG0= -0.004726 tlogG= -0.096032 logG= -0.100758 Density= 0.575801 ETOT(band)= -0.408323 trlgG= -0.512549 logG= -0.100758 TDE= -0.798016 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002307 tlogG= -0.049601 logG= -0.051907 Density= 0.286419 ETOT(band)= -0.206563 trlgG= -0.259240 logG= -0.051907 TDE= -0.399452 logGD-logG0= -0.002300 tlogG= -0.049451 logG= -0.051750 Density= 0.286448 ETOT(band)= -0.206433 trlgG= -0.258869 logG= -0.051750 TDE= -0.399257 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005348 tlogG= -0.088037 logG= -0.093385 logGD-logG0= -0.004823 tlogG= -0.092511 logG= -0.097334 Density= 0.583935 ETOT(band)= -0.400291 trlgG= -0.502288 logG= -0.097334 TDE= -0.796635 logGD-logG0= -0.002333 tlogG= -0.048765 logG= -0.051098 Density= 0.286650 ETOT(band)= -0.205567 trlgG= -0.258019 logG= -0.051098 TDE= -0.399195 Density= 0.602812 ETOT(band)= -0.385361 trlgG= -0.483657 logG= -0.093385 TDE= -0.794614 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.004662 tlogG= -0.097044 logG= -0.101707 Density= 0.573484 ETOT(band)= -0.410656 trlgG= -0.515438 logG= -0.101707 TDE= -0.798402 logGD-logG0= -0.004695 tlogG= -0.096897 logG= -0.101592 Density= 0.573433 ETOT(band)= -0.410458 trlgG= -0.515101 logG= -0.101592 TDE= -0.798146 logGD-logG0= -0.002367 tlogG= -0.047182 logG= -0.049549 Density= 0.287027 ETOT(band)= -0.203911 trlgG= -0.255698 logG= -0.049549 TDE= -0.398676 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005781 tlogG= -0.086060 logG= -0.091841 Density= 0.613033 ETOT(band)= -0.377811 trlgG= -0.474185 logG= -0.091841 TDE= -0.793542 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002330 tlogG= -0.049152 logG= -0.051483 Density= 0.286551 ETOT(band)= -0.205934 trlgG= -0.258550 logG= -0.051483 TDE= -0.399275 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002343 tlogG= -0.048589 logG= -0.050932 Density= 0.286772 ETOT(band)= -0.205380 trlgG= -0.257804 logG= -0.050932 TDE= -0.399228 37) Finished k-point 75 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002336 tlogG= -0.047781 logG= -0.050118 Density= 0.286982 ETOT(band)= -0.204506 trlgG= -0.256656 logG= -0.050118 TDE= -0.399034 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002310 tlogG= -0.049263 logG= -0.051573 Density= 0.286533 ETOT(band)= -0.206171 trlgG= -0.258679 logG= -0.051573 TDE= -0.399302 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005042 tlogG= -0.093387 logG= -0.098429 Density= 0.588443 ETOT(band)= -0.398711 trlgG= -0.500749 logG= -0.098429 TDE= -0.797024 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002356 tlogG= -0.047462 logG= -0.049818 Density= 0.286994 ETOT(band)= -0.204192 trlgG= -0.256156 logG= -0.049818 TDE= -0.398841 logGD-logG0= -0.005181 tlogG= -0.089018 logG= -0.094199 Density= 0.597860 ETOT(band)= -0.389075 trlgG= -0.488388 logG= -0.094199 TDE= -0.795210 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 22) Finished k-point 45 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002372 tlogG= -0.046247 logG= -0.048619 Density= 0.288097 ETOT(band)= -0.202417 trlgG= -0.253830 logG= -0.048619 TDE= -0.398456 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.004764 tlogG= -0.093200 logG= -0.097964 Density= 0.578624 ETOT(band)= -0.404049 trlgG= -0.506888 logG= -0.097964 TDE= -0.797043 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004680 tlogG= -0.097287 logG= -0.101967 Density= 0.573376 ETOT(band)= -0.410886 trlgG= -0.515721 logG= -0.101967 TDE= -0.798352 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004631 tlogG= -0.098428 logG= -0.103060 Density= 0.573100 ETOT(band)= -0.412229 trlgG= -0.517316 logG= -0.103060 TDE= -0.798670 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002421 tlogG= -0.046385 logG= -0.048806 Density= 0.293437 ETOT(band)= -0.199425 trlgG= -0.250458 logG= -0.048806 TDE= -0.398477 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.004695 tlogG= -0.095823 logG= -0.100518 Density= 0.573947 ETOT(band)= -0.409264 trlgG= -0.513614 logG= -0.100518 TDE= -0.798078 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002323 tlogG= -0.048383 logG= -0.050706 Density= 0.286806 ETOT(band)= -0.205174 trlgG= -0.257518 logG= -0.050706 TDE= -0.399191 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002329 tlogG= -0.048835 logG= -0.051164 Density= 0.286667 ETOT(band)= -0.205683 trlgG= -0.258167 logG= -0.051164 TDE= -0.399288 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000095 tlogG= -0.002065 logG= -0.002160 Density= 0.083460 ETOT(band)= -0.060339 trlgG= -0.075676 logG= -0.002160 TDE= -0.016646 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.001143 tlogG= -0.024814 logG= -0.025957 Density= 0.238483 ETOT(band)= -0.172401 trlgG= -0.216250 logG= -0.025957 TDE= -0.199769 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000579 tlogG= -0.012427 logG= -0.013005 Density= 0.358065 ETOT(band)= -0.258045 trlgG= -0.324071 logG= -0.013005 TDE= -0.099871 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000580 tlogG= -0.012403 logG= -0.012984 Density= 0.358094 ETOT(band)= -0.257859 trlgG= -0.323850 logG= -0.012984 TDE= -0.099858 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002320 tlogG= -0.049483 logG= -0.051803 Density= 0.573012 ETOT(band)= -0.412404 trlgG= -0.517838 logG= -0.051803 TDE= -0.399414 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002316 tlogG= -0.049467 logG= -0.051783 Density= 0.859512 ETOT(band)= -0.618792 trlgG= -0.776796 logG= -0.051783 TDE= -0.399436 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002291 tlogG= -0.049665 logG= -0.051956 Density= 0.381755 ETOT(band)= -0.275658 trlgG= -0.345782 logG= -0.051956 TDE= -0.399476 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003851 tlogG= -0.039453 logG= -0.043304 Density= 0.416616 ETOT(band)= -0.243744 trlgG= -0.304394 logG= -0.043304 TDE= -0.394860 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000783 tlogG= -0.015674 logG= -0.016457 Density= 0.167338 ETOT(band)= -0.119562 trlgG= -0.150048 logG= -0.016457 TDE= -0.132927 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001194 tlogG= -0.024028 logG= -0.025222 Density= 0.437710 ETOT(band)= -0.302687 trlgG= -0.380383 logG= -0.025222 TDE= -0.199526 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001152 tlogG= -0.024765 logG= -0.025917 Density= 0.429673 ETOT(band)= -0.309669 trlgG= -0.388526 logG= -0.025917 TDE= -0.199716 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002361 tlogG= -0.048209 logG= -0.050571 Density= 0.863559 ETOT(band)= -0.612746 trlgG= -0.769168 logG= -0.050571 TDE= -0.399065 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002306 tlogG= -0.049202 logG= -0.051509 Density= 0.382108 ETOT(band)= -0.274682 trlgG= -0.344593 logG= -0.051509 TDE= -0.399254 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002455 tlogG= -0.045315 logG= -0.047770 Density= 0.397825 ETOT(band)= -0.260381 trlgG= -0.327077 logG= -0.047770 TDE= -0.398035 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002870 tlogG= -0.043267 logG= -0.046137 Density= 0.457010 ETOT(band)= -0.286989 trlgG= -0.360677 logG= -0.046137 TDE= -0.397001 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002294 tlogG= -0.049720 logG= -0.052014 Density= 0.572658 ETOT(band)= -0.413521 trlgG= -0.518818 logG= -0.052014 TDE= -0.399507 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000572 tlogG= -0.012422 logG= -0.012994 Density= 0.357773 ETOT(band)= -0.258607 trlgG= -0.324438 logG= -0.012994 TDE= -0.099891 57) Finished k-point 116 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002995 tlogG= -0.042696 logG= -0.045691 Density= 0.604587 ETOT(band)= -0.385914 trlgG= -0.484477 logG= -0.045691 TDE= -0.396657 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003144 tlogG= -0.042196 logG= -0.045339 Density= 0.414363 ETOT(band)= -0.247546 trlgG= -0.310555 logG= -0.045339 TDE= -0.396417 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002288 tlogG= -0.049688 logG= -0.051977 Density= 0.429382 ETOT(band)= -0.310271 trlgG= -0.389253 logG= -0.051977 TDE= -0.399538 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002345 tlogG= -0.048621 logG= -0.050966 Density= 0.860112 ETOT(band)= -0.615861 trlgG= -0.772892 logG= -0.050966 TDE= -0.399118 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002704 tlogG= -0.044924 logG= -0.047628 logGD-logG0= -0.000575 tlogG= -0.012457 logG= -0.013032 Density= 0.357937 ETOT(band)= -0.258478 trlgG= -0.324408 logG= -0.013032 TDE= -0.099889 Density= 0.599004 ETOT(band)= -0.388259 trlgG= -0.487027 logG= -0.047628 TDE= -0.397711 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002663 tlogG= -0.046728 logG= -0.049392 Density= 0.588786 ETOT(band)= -0.398228 trlgG= -0.499770 logG= -0.049392 TDE= -0.398447 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003023 tlogG= -0.042427 logG= -0.045450 Density= 0.620037 ETOT(band)= -0.371670 trlgG= -0.465879 logG= -0.045450 TDE= -0.396409 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002472 tlogG= -0.045157 logG= -0.047628 Density= 0.590365 ETOT(band)= -0.396589 trlgG= -0.497954 logG= -0.047628 TDE= -0.397855 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000573 tlogG= -0.012445 logG= -0.013019 Density= 0.357854 ETOT(band)= -0.258579 trlgG= -0.324480 logG= -0.013019 TDE= -0.099897 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006586 tlogG= -0.083089 logG= -0.089675 Density= 0.933445 ETOT(band)= -0.554660 trlgG= -0.694826 logG= -0.089675 TDE= -0.792054 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002423 tlogG= -0.045572 logG= -0.047995 Density= 0.587566 ETOT(band)= -0.398835 trlgG= -0.500875 logG= -0.047995 TDE= -0.398104 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.001424 tlogG= -0.023091 logG= -0.024515 Density= 0.442196 ETOT(band)= -0.298037 trlgG= -0.373691 logG= -0.024515 TDE= -0.199041 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002876 tlogG= -0.045132 logG= -0.048008 Density= 0.590576 ETOT(band)= -0.394140 trlgG= -0.493465 logG= -0.048008 TDE= -0.397647 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004665 tlogG= -0.098012 logG= -0.102677 Density= 0.859830 ETOT(band)= -0.616947 trlgG= -0.774384 logG= -0.102677 TDE= -0.798424 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005150 tlogG= -0.094027 logG= -0.099177 Density= 1.177032 ETOT(band)= -0.797483 trlgG= -1.001241 logG= -0.099177 TDE= -0.797123 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004595 tlogG= -0.099230 logG= -0.103825 Density= 0.859197 ETOT(band)= -0.619728 trlgG= -0.777296 logG= -0.103825 TDE= -0.798779 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002381 tlogG= -0.047959 logG= -0.050340 Density= 0.871118 ETOT(band)= -0.607530 trlgG= -0.762954 logG= -0.050340 TDE= -0.398924 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002303 tlogG= -0.049705 logG= -0.052008 Density= 0.572799 ETOT(band)= -0.413251 trlgG= -0.518599 logG= -0.052008 TDE= -0.399443 logGD-logG0= -0.005503 tlogG= -0.092676 logG= -0.098179 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 1.178056 ETOT(band)= -0.795021 trlgG= -0.996990 logG= -0.098179 TDE= -0.796437 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004656 tlogG= -0.097867 logG= -0.102523 Density= 1.146744 ETOT(band)= -0.822206 trlgG= -1.032016 logG= -0.102523 TDE= -0.798575 38) Finished k-point 78 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004654 tlogG= -0.098305 logG= -0.102959 Density= 0.859768 ETOT(band)= -0.617497 trlgG= -0.775155 logG= -0.102959 TDE= -0.798602 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005593 tlogG= -0.088887 logG= -0.094479 logGD-logG0= -0.002325 tlogG= -0.049369 logG= -0.051695 Density= 0.573056 ETOT(band)= -0.412078 trlgG= -0.517412 logG= -0.051695 TDE= -0.399344 Density= 1.202977 ETOT(band)= -0.772018 trlgG= -0.967799 logG= -0.094479 TDE= -0.794847 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005224 tlogG= -0.090581 logG= -0.095805 Density= 1.192170 ETOT(band)= -0.781091 trlgG= -0.979893 logG= -0.095805 TDE= -0.795750 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004787 tlogG= -0.094324 logG= -0.099112 Density= 1.165905 ETOT(band)= -0.803391 trlgG= -1.008356 logG= -0.099112 TDE= -0.797319 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.004708 tlogG= -0.095889 logG= -0.100597 Density= 0.860680 ETOT(band)= -0.613337 trlgG= -0.769361 logG= -0.100597 TDE= -0.797851 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002340 tlogG= -0.047902 logG= -0.050242 Density= 0.573690 ETOT(band)= -0.410030 trlgG= -0.514639 logG= -0.050242 TDE= -0.399046 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002330 tlogG= -0.048416 logG= -0.050746 Density= 0.573772 ETOT(band)= -0.409722 trlgG= -0.514235 logG= -0.050746 TDE= -0.399201 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002338 tlogG= -0.048808 logG= -0.051147 Density= 0.860025 ETOT(band)= -0.616501 trlgG= -0.773819 logG= -0.051147 TDE= -0.399226 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.004615 tlogG= -0.099027 logG= -0.103641 Density= 0.859433 ETOT(band)= -0.619093 trlgG= -0.776818 logG= -0.103641 TDE= -0.798776 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005015 tlogG= -0.094679 logG= -0.099694 Density= 1.176516 ETOT(band)= -0.798811 trlgG= -1.003480 logG= -0.099694 TDE= -0.797493 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002310 tlogG= -0.049717 logG= -0.052026 Density= 0.572853 ETOT(band)= -0.413126 trlgG= -0.518664 logG= -0.052026 TDE= -0.399490 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.004738 tlogG= -0.094905 logG= -0.099643 Density= 1.155314 ETOT(band)= -0.810813 trlgG= -1.017360 logG= -0.099643 TDE= -0.797650 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004690 tlogG= -0.096350 logG= -0.101040 Density= 0.860597 ETOT(band)= -0.614097 trlgG= -0.770560 logG= -0.101040 TDE= -0.798114 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005087 tlogG= -0.091420 logG= -0.096507 Density= 1.186959 ETOT(band)= -0.785603 trlgG= -0.986008 logG= -0.096507 TDE= -0.796259 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002322 tlogG= -0.049021 logG= -0.051343 Density= 0.573195 ETOT(band)= -0.411799 trlgG= -0.516897 logG= -0.051343 TDE= -0.399284 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002314 tlogG= -0.049333 logG= -0.051647 Density= 0.859613 ETOT(band)= -0.618481 trlgG= -0.776187 logG= -0.051647 TDE= -0.399407 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001164 tlogG= -0.024491 logG= -0.025655 Density= 0.429979 ETOT(band)= -0.308607 trlgG= -0.387361 logG= -0.025655 TDE= -0.199667 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.004710 tlogG= -0.094311 logG= -0.099021 Density= 0.862591 ETOT(band)= -0.609952 trlgG= -0.765100 logG= -0.099021 TDE= -0.797596 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002402 tlogG= -0.047271 logG= -0.049672 Density= 0.585997 ETOT(band)= -0.400178 trlgG= -0.502691 logG= -0.049672 TDE= -0.398799 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.004689 tlogG= -0.096827 logG= -0.101516 Density= 1.147590 ETOT(band)= -0.819640 trlgG= -1.028711 logG= -0.101516 TDE= -0.798359 logGD-logG0= -0.004634 tlogG= -0.097765 logG= -0.102400 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.860113 ETOT(band)= -0.616649 trlgG= -0.773910 logG= -0.102400 TDE= -0.798544 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Sum of eigenvalues= -385.719097818742 eV TrLogG= -483.745753737255 eV Ratio to renormalize= 1.000770498761 rho-rho_expected=-0.031566127520 nargs= 1 argi=dmft2.def 37) Finished k-point number 75 1 with #bands= 19 9) Finished k-point number 19 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 13) Finished k-point number 27 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 1) Finished k-point number 3 1 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 34) Finished k-point number 69 1 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 43) Finished k-point number 87 1 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 34) Finished k-point number 70 2 with #bands= 19 25) Finished k-point number 51 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 56) Finished k-point number 114 2 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 43) Finished k-point number 88 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 48) Finished k-point number 98 2 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 8) Finished k-point number 18 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 15) Finished k-point number 31 1 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 15) Finished k-point number 32 2 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 26) Finished k-point number 53 1 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 33) Finished k-point number 67 1 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 26) Finished k-point number 54 2 with #bands= 19 38) Finished k-point number 78 2 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 59) Finished k-point number 120 2 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 21) Finished k-point number 44 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 16) Finished k-point number 34 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.862453152581323 0.869697930865647 0.847562260773005 0) Finished k-point number 1 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 14) Finished k-point number 29 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 42) Finished k-point number 85 1 with #bands= 19 16) Finished k-point number 33 1 with #bands= 19 40) Finished k-point number 81 1 with #bands= 19 19) Finished k-point number 39 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 2) Finished k-point number 5 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 20) Finished k-point number 41 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 21) Finished k-point number 43 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 24) Finished k-point number 49 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 15) Finished k-point number 32 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 18) Finished k-point number 38 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 5) Finished k-point number 12 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 57) Finished k-point number 116 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 34) Finished k-point number 70 2 with #bands= 19 32) Finished k-point number 66 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 49) Finished k-point number 100 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 44) Finished k-point number 90 2 with #bands= 19 46) Finished k-point number 94 2 with #bands= 19 16) Finished k-point number 34 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 29) Finished k-point number 60 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 9.12617115924048 Density= 41.0573368305001 41.0000000000000 EF 8.85405732712690 Density= 40.7518188939369 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.67076127 0.65076127 0.573368E-01 -0.248181 1 0.66700785 0.67076127 -0.273914E-01 0.573368E-01 2 0.66822127 0.67076127 -0.232877E-02 0.573368E-01 3 0.66832962 0.67076127 -0.964773E-04 0.573368E-01 4 0.66833428 0.67076127 -0.534212E-06 0.573368E-01 5 0.66833431 0.67076127 -0.128054E-09 0.573368E-01 6 0.66833431 0.66833431 0.193102E-08 -0.128054E-09 7 0.66833431 0.66833431 0.193102E-08 -0.128054E-09 Absolute convergence of the X interval. Difference in EF too large to mix -3.302045976924097E-002 cutoff= 2.9999999E-02 Difference in EF= -0.0330204598 EF set to : 9.0931506995 new EF (no-mixing): 9.0931506995 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.000578 tlogG= -0.012375 logG= -0.012953 Density= 0.071595 ETOT(band)= -0.051722 trlgG= -0.064854 logG= -0.012953 TDE= -0.099750 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001364 tlogG= -0.012750 logG= -0.014114 Density= 0.104483 ETOT(band)= -0.060644 trlgG= -0.075555 logG= -0.014114 TDE= -0.131271 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000766 tlogG= -0.016428 logG= -0.017194 Density= 0.095452 ETOT(band)= -0.068941 trlgG= -0.086351 logG= -0.017194 TDE= -0.132951 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000763 tlogG= -0.016447 logG= -0.017211 Density= 0.095394 ETOT(band)= -0.069020 trlgG= -0.086464 logG= -0.017211 TDE= -0.133009 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002348 tlogG= -0.048279 logG= -0.050627 Density= 0.286760 ETOT(band)= -0.205557 trlgG= -0.257682 logG= -0.050627 TDE= -0.398706 37) Finished k-point 75 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001158 tlogG= -0.013551 logG= -0.014709 Density= 0.103753 ETOT(band)= -0.061657 trlgG= -0.077107 logG= -0.014709 TDE= -0.131739 logGD-logG0= -0.002332 tlogG= -0.048770 logG= -0.051101 Density= 0.286580 ETOT(band)= -0.206110 trlgG= -0.258393 logG= -0.051101 TDE= -0.398823 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002335 tlogG= -0.048841 logG= -0.051176 Density= 0.286539 ETOT(band)= -0.206110 trlgG= -0.258423 logG= -0.051176 TDE= -0.398750 logGD-logG0= -0.000572 tlogG= -0.012324 logG= -0.012896 Density= 0.071536 ETOT(band)= -0.051765 trlgG= -0.064839 logG= -0.012896 TDE= -0.099753 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 25 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000772 tlogG= -0.016176 logG= -0.016948 Density= 0.095555 ETOT(band)= -0.068621 trlgG= -0.085997 logG= -0.016948 TDE= -0.132912 logGD-logG0= -0.000881 tlogG= -0.014630 logG= -0.015511 Density= 0.102818 ETOT(band)= -0.062943 trlgG= -0.079120 logG= -0.015511 TDE= -0.132325 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002330 tlogG= -0.048979 logG= -0.051309 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.286517 ETOT(band)= -0.206282 trlgG= -0.258659 logG= -0.051309 TDE= -0.398839 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002327 tlogG= -0.049183 logG= -0.051510 Density= 0.286469 ETOT(band)= -0.206439 trlgG= -0.258917 logG= -0.051510 TDE= -0.398864 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003655 tlogG= -0.039911 logG= -0.043566 Density= 0.311596 ETOT(band)= -0.184252 trlgG= -0.230093 logG= -0.043566 TDE= -0.394777 logGD-logG0= -0.002322 tlogG= -0.049290 logG= -0.051613 Density= 0.286446 ETOT(band)= -0.206591 trlgG= -0.259102 logG= -0.051613 TDE= -0.398931 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002309 tlogG= -0.049138 logG= -0.051447 Density= 0.286450 ETOT(band)= -0.206590 trlgG= -0.258840 logG= -0.051447 TDE= -0.398837 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003467 tlogG= -0.040511 logG= -0.043978 Density= 0.311677 ETOT(band)= -0.184541 trlgG= -0.230741 logG= -0.043978 TDE= -0.395068 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002753 tlogG= -0.046277 logG= -0.049030 Density= 0.294352 ETOT(band)= -0.199598 trlgG= -0.250094 logG= -0.049030 TDE= -0.397789 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002292 tlogG= -0.049388 logG= -0.051680 Density= 0.286212 ETOT(band)= -0.207063 trlgG= -0.259436 logG= -0.051680 TDE= -0.399041 logGD-logG0= -0.002577 tlogG= -0.046932 logG= -0.049509 Density= 0.294104 ETOT(band)= -0.200163 trlgG= -0.251067 logG= -0.049509 TDE= -0.398117 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002306 tlogG= -0.049468 logG= -0.051774 Density= 0.286344 ETOT(band)= -0.206948 trlgG= -0.259388 logG= -0.051774 TDE= -0.398987 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001333 tlogG= -0.023327 logG= -0.024660 Density= 0.147116 ETOT(band)= -0.099966 trlgG= -0.125340 logG= -0.024660 TDE= -0.199003 logGD-logG0= -0.002686 tlogG= -0.045699 logG= -0.048385 Density= 0.294480 ETOT(band)= -0.198925 trlgG= -0.249213 logG= -0.048385 TDE= -0.397639 logGD-logG0= -0.002782 tlogG= -0.043267 logG= -0.046050 Density= 0.304174 ETOT(band)= -0.190920 trlgG= -0.239335 logG= -0.046050 TDE= -0.396575 logGD-logG0= -0.002298 tlogG= -0.049451 logG= -0.051749 Density= 0.286278 ETOT(band)= -0.207034 trlgG= -0.259457 logG= -0.051749 TDE= -0.399038 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 20) Finished k-point 41 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002915 tlogG= -0.043598 logG= -0.046512 logGD-logG0= -0.001148 tlogG= -0.024695 logG= -0.025843 Density= 0.143134 ETOT(band)= -0.103503 trlgG= -0.129684 logG= -0.025843 TDE= -0.199502 Density= 0.295755 ETOT(band)= -0.196402 trlgG= -0.245425 logG= -0.046512 TDE= -0.396576 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002372 tlogG= -0.046867 logG= -0.049239 Density= 0.287013 ETOT(band)= -0.204086 trlgG= -0.255566 logG= -0.049239 TDE= -0.398148 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002864 tlogG= -0.045590 logG= -0.048454 Density= 0.294972 ETOT(band)= -0.198677 trlgG= -0.248755 logG= -0.048454 TDE= -0.397440 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005191 tlogG= -0.092030 logG= -0.097221 Density= 0.588684 ETOT(band)= -0.398393 trlgG= -0.499326 logG= -0.097221 TDE= -0.795542 logGD-logG0= -0.002510 tlogG= -0.047250 logG= -0.049760 Density= 0.293971 ETOT(band)= -0.200477 trlgG= -0.251587 logG= -0.049760 TDE= -0.398298 logGD-logG0= -0.005554 tlogG= -0.090546 logG= -0.096100 Density= 0.589202 ETOT(band)= -0.397103 trlgG= -0.497091 logG= -0.096100 TDE= -0.794774 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004642 tlogG= -0.098086 logG= -0.102729 Density= 0.573007 ETOT(band)= -0.412800 trlgG= -0.517498 logG= -0.102729 TDE= -0.797730 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002328 tlogG= -0.048074 logG= -0.050401 logGD-logG0= -0.004780 tlogG= -0.094883 logG= -0.099662 Density= 0.286796 ETOT(band)= -0.205350 trlgG= -0.257395 logG= -0.050401 TDE= -0.398670 Density= 0.580946 ETOT(band)= -0.405131 trlgG= -0.508064 logG= -0.099662 TDE= -0.796668 logGD-logG0= -0.005192 tlogG= -0.088378 logG= -0.093570 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002301 tlogG= -0.049365 logG= -0.051666 Density= 0.286337 ETOT(band)= -0.206900 trlgG= -0.259231 logG= -0.051666 TDE= -0.398934 Density= 0.597876 ETOT(band)= -0.389444 trlgG= -0.488134 logG= -0.093570 TDE= -0.794146 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 22) Finished k-point 45 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002341 tlogG= -0.047471 logG= -0.049812 Density= 0.286972 ETOT(band)= -0.204681 trlgG= -0.256530 logG= -0.049812 TDE= -0.398512 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002311 tlogG= -0.049295 logG= -0.051606 Density= 0.286409 ETOT(band)= -0.206742 trlgG= -0.259124 logG= -0.051606 TDE= -0.398935 logGD-logG0= -0.004774 tlogG= -0.092570 logG= -0.097344 logGD-logG0= -0.002314 tlogG= -0.048956 logG= -0.051271 Density= 0.578672 ETOT(band)= -0.404363 trlgG= -0.506585 logG= -0.097344 TDE= -0.795988 Density= 0.286523 ETOT(band)= -0.206349 trlgG= -0.258561 logG= -0.051271 TDE= -0.398783 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002376 tlogG= -0.045933 logG= -0.048309 Density= 0.288109 ETOT(band)= -0.202578 trlgG= -0.253684 logG= -0.048309 TDE= -0.397929 logGD-logG0= -0.002345 tlogG= -0.048273 logG= -0.050618 Density= 0.286657 ETOT(band)= -0.205544 trlgG= -0.257608 logG= -0.050618 TDE= -0.398573 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.004640 tlogG= -0.097815 logG= -0.102455 Density= 0.573079 ETOT(band)= -0.412587 trlgG= -0.517081 logG= -0.102455 TDE= -0.797634 logGD-logG0= -0.002361 tlogG= -0.047149 logG= -0.049510 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.286982 ETOT(band)= -0.204367 trlgG= -0.256026 logG= -0.049510 TDE= -0.398316 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002304 tlogG= -0.049145 logG= -0.051450 Density= 0.286439 ETOT(band)= -0.206612 trlgG= -0.258754 logG= -0.051450 TDE= -0.398742 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005360 tlogG= -0.087392 logG= -0.092751 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.602813 ETOT(band)= -0.385745 trlgG= -0.483415 logG= -0.092751 TDE= -0.793544 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002338 tlogG= -0.048454 logG= -0.050792 Density= 0.286638 ETOT(band)= -0.205743 trlgG= -0.257894 logG= -0.050792 TDE= -0.398673 logGD-logG0= -0.004833 tlogG= -0.091877 logG= -0.096710 Density= 0.583963 ETOT(band)= -0.400626 trlgG= -0.502003 logG= -0.096710 TDE= -0.795575 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004705 tlogG= -0.096272 logG= -0.100977 Density= 0.573407 ETOT(band)= -0.410809 trlgG= -0.514844 logG= -0.100977 TDE= -0.797095 logGD-logG0= -0.002333 tlogG= -0.048527 logG= -0.050860 Density= 0.286656 ETOT(band)= -0.205862 trlgG= -0.258047 logG= -0.050860 TDE= -0.398768 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004736 tlogG= -0.095407 logG= -0.100143 Density= 0.575828 ETOT(band)= -0.408649 trlgG= -0.512264 logG= -0.100143 TDE= -0.796966 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004689 tlogG= -0.096666 logG= -0.101355 Density= 0.573351 ETOT(band)= -0.411240 trlgG= -0.515471 logG= -0.101355 TDE= -0.797305 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005055 tlogG= -0.092756 logG= -0.097810 Density= 0.588434 ETOT(band)= -0.399084 trlgG= -0.500508 logG= -0.097810 TDE= -0.795968 logGD-logG0= -0.002316 tlogG= -0.049316 logG= -0.051632 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.286429 ETOT(band)= -0.206691 trlgG= -0.259143 logG= -0.051632 TDE= -0.398941 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.005794 tlogG= -0.085408 logG= -0.091202 Density= 0.613047 ETOT(band)= -0.378203 trlgG= -0.473946 logG= -0.091202 TDE= -0.792465 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002397 tlogG= -0.047541 logG= -0.049938 Density= 0.291945 ETOT(band)= -0.201830 trlgG= -0.253286 logG= -0.049938 TDE= -0.398465 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004704 tlogG= -0.095201 logG= -0.099905 Density= 0.573927 ETOT(band)= -0.409615 trlgG= -0.513362 logG= -0.099905 TDE= -0.797031 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002427 tlogG= -0.046070 logG= -0.048497 Density= 0.293461 ETOT(band)= -0.199593 trlgG= -0.250318 logG= -0.048497 TDE= -0.397950 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.004672 tlogG= -0.096425 logG= -0.101097 Density= 0.573462 ETOT(band)= -0.411010 trlgG= -0.515192 logG= -0.101097 TDE= -0.797359 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000095 tlogG= -0.002053 logG= -0.002148 Density= 0.083457 ETOT(band)= -0.060392 trlgG= -0.075645 logG= -0.002148 TDE= -0.016625 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.000581 tlogG= -0.012326 logG= -0.012907 Density= 0.358080 ETOT(band)= -0.258078 trlgG= -0.323691 logG= -0.012907 TDE= -0.099726 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000785 tlogG= -0.015570 logG= -0.016355 Density= 0.167333 ETOT(band)= -0.119664 trlgG= -0.149975 logG= -0.016355 TDE= -0.132752 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000580 tlogG= -0.012349 logG= -0.012930 Density= 0.358051 ETOT(band)= -0.258266 trlgG= -0.323916 logG= -0.012930 TDE= -0.099740 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002324 tlogG= -0.049174 logG= -0.051499 Density= 0.572989 ETOT(band)= -0.412757 trlgG= -0.517589 logG= -0.051499 TDE= -0.398891 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003859 tlogG= -0.039114 logG= -0.042973 Density= 0.416938 ETOT(band)= -0.243799 trlgG= -0.304015 logG= -0.042973 TDE= -0.394311 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003150 tlogG= -0.041869 logG= -0.045019 Density= 0.414372 ETOT(band)= -0.247821 trlgG= -0.310407 logG= -0.045019 TDE= -0.395879 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002320 tlogG= -0.049160 logG= -0.051480 Density= 0.859479 ETOT(band)= -0.619326 trlgG= -0.776436 logG= -0.051480 TDE= -0.398916 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001166 tlogG= -0.024337 logG= -0.025503 Density= 0.429962 ETOT(band)= -0.308874 trlgG= -0.387182 logG= -0.025503 TDE= -0.199408 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002876 tlogG= -0.042944 logG= -0.045820 Density= 0.457016 ETOT(band)= -0.287289 trlgG= -0.360510 logG= -0.045820 TDE= -0.396466 logGD-logG0= -0.001197 tlogG= -0.023872 logG= -0.025069 Density= 0.437791 ETOT(band)= -0.302911 trlgG= -0.380146 logG= -0.025069 TDE= -0.199265 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003030 tlogG= -0.042097 logG= -0.045128 logGD-logG0= -0.002326 tlogG= -0.048713 logG= -0.051039 Density= 0.573173 ETOT(band)= -0.412155 trlgG= -0.516656 logG= -0.051039 TDE= -0.398763 Density= 0.620378 ETOT(band)= -0.371846 trlgG= -0.465421 logG= -0.045128 TDE= -0.395868 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002366 tlogG= -0.047897 logG= -0.050264 Density= 0.863598 ETOT(band)= -0.613236 trlgG= -0.768742 logG= -0.050264 TDE= -0.398541 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.001428 tlogG= -0.022929 logG= -0.024358 Density= 0.442421 ETOT(band)= -0.298157 trlgG= -0.373342 logG= -0.024358 TDE= -0.198774 logGD-logG0= -0.002330 tlogG= -0.049059 logG= -0.051389 Density= 0.573033 ETOT(band)= -0.412429 trlgG= -0.517157 logG= -0.051389 TDE= -0.398819 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002671 tlogG= -0.046411 logG= -0.049081 Density= 0.588772 ETOT(band)= -0.398603 trlgG= -0.499526 logG= -0.049081 TDE= -0.397917 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002477 tlogG= -0.044837 logG= -0.047314 Density= 0.590354 ETOT(band)= -0.396962 trlgG= -0.497709 logG= -0.047314 TDE= -0.397323 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003001 tlogG= -0.042370 logG= -0.045371 Density= 0.604590 ETOT(band)= -0.386304 trlgG= -0.484240 logG= -0.045371 TDE= -0.396119 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002350 tlogG= -0.048309 logG= -0.050659 Density= 0.860072 ETOT(band)= -0.616389 trlgG= -0.772508 logG= -0.050659 TDE= -0.398593 logGD-logG0= -0.002343 tlogG= -0.048498 logG= -0.050841 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 Density= 0.859988 ETOT(band)= -0.617031 trlgG= -0.773445 logG= -0.050841 TDE= -0.398703 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002319 tlogG= -0.049026 logG= -0.051345 logGD-logG0= -0.002460 tlogG= -0.044998 logG= -0.047458 Density= 0.397850 ETOT(band)= -0.260619 trlgG= -0.326903 logG= -0.047458 TDE= -0.397506 Density= 0.859581 ETOT(band)= -0.619017 trlgG= -0.775836 logG= -0.051345 TDE= -0.398890 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.006600 tlogG= -0.082429 logG= -0.089028 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 Density= 0.933469 ETOT(band)= -0.555268 trlgG= -0.694473 logG= -0.089028 TDE= -0.790970 logGD-logG0= -0.002344 tlogG= -0.047591 logG= -0.049936 Density= 0.573668 ETOT(band)= -0.410384 trlgG= -0.514391 logG= -0.049936 TDE= -0.398523 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002710 tlogG= -0.044604 logG= -0.047314 Density= 0.599003 ETOT(band)= -0.388639 trlgG= -0.486782 logG= -0.047314 TDE= -0.397178 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002884 tlogG= -0.044808 logG= -0.047693 Density= 0.590956 ETOT(band)= -0.394243 trlgG= -0.492936 logG= -0.047693 TDE= -0.397111 logGD-logG0= -0.004718 tlogG= -0.095262 logG= -0.099980 Density= 0.860641 ETOT(band)= -0.613862 trlgG= -0.768969 logG= -0.099980 TDE= -0.796798 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002429 tlogG= -0.045254 logG= -0.047683 Density= 0.587591 ETOT(band)= -0.399184 trlgG= -0.500608 logG= -0.047683 TDE= -0.397575 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005519 tlogG= -0.092036 logG= -0.097554 Density= 1.178025 ETOT(band)= -0.795766 trlgG= -0.996487 logG= -0.097554 TDE= -0.795372 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005164 tlogG= -0.093393 logG= -0.098557 Density= 1.177007 ETOT(band)= -0.798229 trlgG= -1.000751 logG= -0.098557 TDE= -0.796065 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004675 tlogG= -0.097389 logG= -0.102064 Density= 0.859794 ETOT(band)= -0.617473 trlgG= -0.774000 logG= -0.102064 TDE= -0.797375 logGD-logG0= -0.002335 tlogG= -0.048107 logG= -0.050442 logGD-logG0= -0.002387 tlogG= -0.047645 logG= -0.050032 Density= 0.871230 ETOT(band)= -0.607990 trlgG= -0.762487 logG= -0.050032 TDE= -0.398397 Density= 0.573752 ETOT(band)= -0.410074 trlgG= -0.513987 logG= -0.050442 TDE= -0.398679 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004748 tlogG= -0.094278 logG= -0.099026 Density= 1.155396 ETOT(band)= -0.811449 trlgG= -1.016765 logG= -0.099026 TDE= -0.796598 logGD-logG0= -0.002295 tlogG= -0.049361 logG= -0.051656 Density= 0.381742 ETOT(band)= -0.275897 trlgG= -0.345632 logG= -0.051656 TDE= -0.398962 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001145 tlogG= -0.024663 logG= -0.025808 Density= 0.238475 ETOT(band)= -0.172552 trlgG= -0.216159 logG= -0.025808 TDE= -0.199513 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004643 tlogG= -0.097150 logG= -0.101793 Density= 0.860084 ETOT(band)= -0.617181 trlgG= -0.773546 logG= -0.101793 TDE= -0.797505 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002314 tlogG= -0.049410 logG= -0.051724 Density= 0.572831 ETOT(band)= -0.413483 trlgG= -0.518425 logG= -0.051724 TDE= -0.398971 logGD-logG0= -0.004663 tlogG= -0.097686 logG= -0.102349 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 Density= 0.859734 ETOT(band)= -0.618027 trlgG= -0.774781 logG= -0.102349 TDE= -0.797556 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004798 tlogG= -0.093694 logG= -0.098492 logGD-logG0= -0.004700 tlogG= -0.095727 logG= -0.100427 Density= 1.165989 ETOT(band)= -0.804045 trlgG= -1.007769 logG= -0.098492 TDE= -0.796263 Density= 0.860561 ETOT(band)= -0.614624 trlgG= -0.770177 logG= -0.100427 TDE= -0.797066 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005236 tlogG= -0.089941 logG= -0.095177 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 1.192159 ETOT(band)= -0.781844 trlgG= -0.979398 logG= -0.095177 TDE= -0.794685 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005028 tlogG= -0.094050 logG= -0.099078 Density= 1.176497 ETOT(band)= -0.799559 trlgG= -1.003002 logG= -0.099078 TDE= -0.796439 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000573 tlogG= -0.012346 logG= -0.012919 Density= 0.357761 ETOT(band)= -0.258833 trlgG= -0.324300 logG= -0.012919 TDE= -0.099763 logGD-logG0= -0.002311 tlogG= -0.048896 logG= -0.051207 Density= 0.382095 ETOT(band)= -0.274919 trlgG= -0.344435 logG= -0.051207 TDE= -0.398736 57) Finished k-point 116 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005099 tlogG= -0.090784 logG= -0.095884 Density= 1.186966 ETOT(band)= -0.786342 trlgG= -0.985508 logG= -0.095884 TDE= -0.795199 logGD-logG0= -0.001154 tlogG= -0.024612 logG= -0.025767 Density= 0.429658 ETOT(band)= -0.309938 trlgG= -0.388353 logG= -0.025767 TDE= -0.199458 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000576 tlogG= -0.012381 logG= -0.012957 Density= 0.357924 ETOT(band)= -0.258702 trlgG= -0.324266 logG= -0.012957 TDE= -0.099760 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000574 tlogG= -0.012370 logG= -0.012944 Density= 0.357841 ETOT(band)= -0.258804 trlgG= -0.324341 logG= -0.012944 TDE= -0.099769 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002293 tlogG= -0.049385 logG= -0.051678 Density= 0.429368 ETOT(band)= -0.310542 trlgG= -0.389086 logG= -0.051678 TDE= -0.399024 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004623 tlogG= -0.098416 logG= -0.103039 Density= 0.859402 ETOT(band)= -0.619629 trlgG= -0.776467 logG= -0.103039 TDE= -0.797742 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004699 tlogG= -0.096207 logG= -0.100906 Density= 1.147548 ETOT(band)= -0.820345 trlgG= -1.028211 logG= -0.100906 TDE= -0.797314 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.004720 tlogG= -0.093686 logG= -0.098405 Density= 0.862588 ETOT(band)= -0.610459 trlgG= -0.764692 logG= -0.098405 TDE= -0.796546 logGD-logG0= -0.005607 tlogG= -0.088240 logG= -0.093847 Density= 1.202974 ETOT(band)= -0.772780 trlgG= -0.967301 logG= -0.093847 TDE= -0.793776 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002299 tlogG= -0.049416 logG= -0.051715 Density= 0.572638 ETOT(band)= -0.413881 trlgG= -0.518593 logG= -0.051715 TDE= -0.398993 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002307 tlogG= -0.049400 logG= -0.051708 Density= 0.572779 ETOT(band)= -0.413609 trlgG= -0.518369 logG= -0.051708 TDE= -0.398927 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004604 tlogG= -0.098621 logG= -0.103225 Density= 0.859168 ETOT(band)= -0.620266 trlgG= -0.776954 logG= -0.103225 TDE= -0.797750 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002407 tlogG= -0.046958 logG= -0.049365 Density= 0.586061 ETOT(band)= -0.400504 trlgG= -0.502401 logG= -0.049365 TDE= -0.398273 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.004666 tlogG= -0.097250 logG= -0.101915 Density= 1.146699 ETOT(band)= -0.822915 trlgG= -1.031527 logG= -0.101915 TDE= -0.797534 38) Finished k-point 78 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Sum of eigenvalues= -386.050103162374 eV TrLogG= -483.503301035905 eV Ratio to renormalize= 1.000748085780 rho-rho_expected=-0.030648589221 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 5) Finished k-point number 12 2 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 39) Finished k-point number 79 1 with #bands= 19 7) Finished k-point number 16 2 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 56) Finished k-point number 113 1 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 25) Finished k-point number 51 1 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 46) Finished k-point number 93 1 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 10) Finished k-point number 21 1 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 25) Finished k-point number 52 2 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 36) Finished k-point number 74 2 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 10) Finished k-point number 22 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 54) Finished k-point number 110 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 52) Finished k-point number 105 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 26) Finished k-point number 53 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 26) Finished k-point number 54 2 with #bands= 19 2) Finished k-point number 6 2 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 42) Finished k-point number 85 1 with #bands= 19 42) Finished k-point number 86 2 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 11) Finished k-point number 24 2 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 23) Finished k-point number 48 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 16) Finished k-point number 34 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.862206228321705 0.869460230844716 0.847288095126880 58) Finished k-point number 117 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 39) Finished k-point number 79 1 with #bands= 19 37) Finished k-point number 75 1 with #bands= 19 4) Finished k-point number 9 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 42) Finished k-point number 85 1 with #bands= 19 19) Finished k-point number 39 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 40) Finished k-point number 81 1 with #bands= 19 21) Finished k-point number 43 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 16) Finished k-point number 33 1 with #bands= 19 56) Finished k-point number 113 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 0) Finished k-point number 2 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 40) Finished k-point number 82 2 with #bands= 19 34) Finished k-point number 70 2 with #bands= 19 46) Finished k-point number 94 2 with #bands= 19 7) Finished k-point number 16 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 44) Finished k-point number 90 2 with #bands= 19 30) Finished k-point number 62 2 with #bands= 19 37) Finished k-point number 76 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 2) Finished k-point number 6 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 56) Finished k-point number 114 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 5) Finished k-point number 12 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 9.09315069947124 Density= 40.9733341277450 41.0000000000000 EF 9.36526453158482 Density= 41.4256037437794 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.68833431 0.66833431 0.425604 -0.266659E-01 1 0.67833431 0.66833433 0.242929 -0.266659E-01 2 0.67333432 0.66833408 0.913896E-01 -0.266659E-01 3 0.67083420 0.66833420 0.249912E-01 -0.266659E-01 4 0.66968538 0.66833420 0.117590E-02 -0.266659E-01 5 0.66962849 0.66833420 0.688000E-05 -0.266659E-01 6 0.66962815 0.66962849 -0.117722E-08 0.688000E-05 7 0.66962815 0.66962815 0.878281E-09 -0.117722E-08 8 0.66962815 0.66962815 -0.117722E-08 0.878281E-09 9 0.66962815 0.66962815 -0.117722E-08 0.878281E-09 Absolute convergence of the X interval. Difference in EF= 0.0176036474 EF set to : 9.1107543469 new EF (no-mixing): 9.1107543469 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.000765 tlogG= -0.016482 logG= -0.017247 Density= 0.095453 ETOT(band)= -0.068907 trlgG= -0.086369 logG= -0.017247 TDE= -0.133040 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001363 tlogG= -0.012811 logG= -0.014174 Density= 0.104401 ETOT(band)= -0.060661 trlgG= -0.075630 logG= -0.014174 TDE= -0.131367 logGD-logG0= -0.000763 tlogG= -0.016501 logG= -0.017264 Density= 0.095396 ETOT(band)= -0.068985 trlgG= -0.086482 logG= -0.017264 TDE= -0.133098 logGD-logG0= -0.000771 tlogG= -0.016230 logG= -0.017001 Density= 0.095557 ETOT(band)= -0.068588 trlgG= -0.086016 logG= -0.017001 TDE= -0.133002 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000572 tlogG= -0.012364 logG= -0.012936 Density= 0.071537 ETOT(band)= -0.051739 trlgG= -0.064852 logG= -0.012936 TDE= -0.099820 logGD-logG0= -0.002313 tlogG= -0.049479 logG= -0.051793 Density= 0.286435 ETOT(band)= -0.206590 trlgG= -0.259201 logG= -0.051793 TDE= -0.399212 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 25 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002329 tlogG= -0.048934 logG= -0.051263 Density= 0.286586 ETOT(band)= -0.206009 trlgG= -0.258451 logG= -0.051263 TDE= -0.399095 logGD-logG0= -0.002346 tlogG= -0.048444 logG= -0.050790 Density= 0.286767 ETOT(band)= -0.205457 trlgG= -0.257741 logG= -0.050790 TDE= -0.398978 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 37) Finished k-point 75 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002325 tlogG= -0.049349 logG= -0.051673 Density= 0.286475 ETOT(band)= -0.206340 trlgG= -0.258979 logG= -0.051673 TDE= -0.399137 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002333 tlogG= -0.049007 logG= -0.051340 Density= 0.286545 ETOT(band)= -0.206011 trlgG= -0.258485 logG= -0.051340 TDE= -0.399024 logGD-logG0= -0.004638 tlogG= -0.098413 logG= -0.103051 Density= 0.573018 ETOT(band)= -0.412598 trlgG= -0.517614 logG= -0.103051 TDE= -0.798272 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000880 tlogG= -0.014687 logG= -0.015566 Density= 0.102814 ETOT(band)= -0.062905 trlgG= -0.079137 logG= -0.015566 TDE= -0.132418 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000578 tlogG= -0.012416 logG= -0.012993 Density= 0.071596 ETOT(band)= -0.051697 trlgG= -0.064868 logG= -0.012993 TDE= -0.099817 logGD-logG0= -0.001146 tlogG= -0.024776 logG= -0.025922 Density= 0.143136 ETOT(band)= -0.103452 trlgG= -0.129710 logG= -0.025922 TDE= -0.199636 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002320 tlogG= -0.049455 logG= -0.051775 Density= 0.286452 ETOT(band)= -0.206491 trlgG= -0.259162 logG= -0.051775 TDE= -0.399204 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003651 tlogG= -0.040090 logG= -0.043740 Density= 0.311594 ETOT(band)= -0.184137 trlgG= -0.230150 logG= -0.043740 TDE= -0.395062 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002749 tlogG= -0.046447 logG= -0.049196 Density= 0.294356 ETOT(band)= -0.199493 trlgG= -0.250154 logG= -0.049196 TDE= -0.398066 logGD-logG0= -0.001331 tlogG= -0.023412 logG= -0.024742 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.147118 ETOT(band)= -0.099913 trlgG= -0.125369 logG= -0.024742 TDE= -0.199141 logGD-logG0= -0.002295 tlogG= -0.049612 logG= -0.051908 Density= 0.286283 ETOT(band)= -0.206932 trlgG= -0.259510 logG= -0.051908 TDE= -0.399305 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002779 tlogG= -0.043440 logG= -0.046219 Density= 0.304168 ETOT(band)= -0.190812 trlgG= -0.239393 logG= -0.046219 TDE= -0.396854 logGD-logG0= -0.003463 tlogG= -0.040689 logG= -0.044152 Density= 0.311578 ETOT(band)= -0.184492 trlgG= -0.230863 logG= -0.044152 TDE= -0.395352 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002682 tlogG= -0.045869 logG= -0.048551 Density= 0.294483 ETOT(band)= -0.198820 trlgG= -0.249273 logG= -0.048551 TDE= -0.397916 logGD-logG0= -0.002574 tlogG= -0.047100 logG= -0.049674 Density= 0.294107 ETOT(band)= -0.200058 trlgG= -0.251125 logG= -0.049674 TDE= -0.398393 logGD-logG0= -0.002299 tlogG= -0.049527 logG= -0.051826 Density= 0.286342 ETOT(band)= -0.206799 trlgG= -0.259285 logG= -0.051826 TDE= -0.399202 20) Finished k-point 41 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002290 tlogG= -0.049549 logG= -0.051839 Density= 0.286218 ETOT(band)= -0.206961 trlgG= -0.259488 logG= -0.051839 TDE= -0.399309 logGD-logG0= -0.002307 tlogG= -0.049301 logG= -0.051607 Density= 0.286455 ETOT(band)= -0.206489 trlgG= -0.258895 logG= -0.051607 TDE= -0.399106 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002911 tlogG= -0.043771 logG= -0.046682 Density= 0.295624 ETOT(band)= -0.196389 trlgG= -0.245580 logG= -0.046682 TDE= -0.396857 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002374 tlogG= -0.046100 logG= -0.048474 logGD-logG0= -0.002394 tlogG= -0.047708 logG= -0.050101 Density= 0.291916 ETOT(band)= -0.201744 trlgG= -0.253364 logG= -0.050101 TDE= -0.398738 Density= 0.288102 ETOT(band)= -0.202487 trlgG= -0.253756 logG= -0.048474 TDE= -0.398204 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.001157 tlogG= -0.013610 logG= -0.014767 Density= 0.103752 ETOT(band)= -0.061618 trlgG= -0.077125 logG= -0.014767 TDE= -0.131834 logGD-logG0= -0.002369 tlogG= -0.047035 logG= -0.049404 logGD-logG0= -0.002358 tlogG= -0.047316 logG= -0.049674 Density= 0.287020 ETOT(band)= -0.203987 trlgG= -0.255630 logG= -0.049404 TDE= -0.398423 Density= 0.286988 ETOT(band)= -0.204268 trlgG= -0.256089 logG= -0.049674 TDE= -0.398590 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002506 tlogG= -0.047418 logG= -0.049924 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.293973 ETOT(band)= -0.200371 trlgG= -0.251644 logG= -0.049924 TDE= -0.398573 logGD-logG0= -0.002338 tlogG= -0.047636 logG= -0.049975 Density= 0.286977 ETOT(band)= -0.204582 trlgG= -0.256591 logG= -0.049975 TDE= -0.398784 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004774 tlogG= -0.095218 logG= -0.099991 logGD-logG0= -0.005184 tlogG= -0.092369 logG= -0.097553 Density= 0.588691 ETOT(band)= -0.398182 trlgG= -0.499445 logG= -0.097553 TDE= -0.796095 logGD-logG0= -0.002302 tlogG= -0.049308 logG= -0.051610 Density= 0.286444 ETOT(band)= -0.206510 trlgG= -0.258809 logG= -0.051610 TDE= -0.399011 Density= 0.580905 ETOT(band)= -0.404956 trlgG= -0.508219 logG= -0.099991 TDE= -0.797218 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002309 tlogG= -0.049458 logG= -0.051766 Density= 0.286415 ETOT(band)= -0.206641 trlgG= -0.259180 logG= -0.051766 TDE= -0.399205 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005546 tlogG= -0.090888 logG= -0.096434 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002304 tlogG= -0.049631 logG= -0.051934 Density= 0.286349 ETOT(band)= -0.206846 trlgG= -0.259443 logG= -0.051934 TDE= -0.399256 Density= 0.589210 ETOT(band)= -0.396893 trlgG= -0.497213 logG= -0.096434 TDE= -0.795331 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004636 tlogG= -0.098141 logG= -0.102777 Density= 0.573090 ETOT(band)= -0.412384 trlgG= -0.517194 logG= -0.102777 TDE= -0.798174 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002312 tlogG= -0.049120 logG= -0.051432 logGD-logG0= -0.002342 tlogG= -0.048440 logG= -0.050782 Density= 0.286664 ETOT(band)= -0.205445 trlgG= -0.257671 logG= -0.050782 TDE= -0.398847 Density= 0.286529 ETOT(band)= -0.206248 trlgG= -0.258618 logG= -0.051432 TDE= -0.399054 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004828 tlogG= -0.092215 logG= -0.097042 Density= 0.583946 ETOT(band)= -0.400436 trlgG= -0.502144 logG= -0.097042 TDE= -0.796128 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004700 tlogG= -0.096605 logG= -0.101304 Density= 0.573421 ETOT(band)= -0.410610 trlgG= -0.514969 logG= -0.101304 TDE= -0.797643 logGD-logG0= -0.004667 tlogG= -0.096755 logG= -0.101422 Density= 0.573474 ETOT(band)= -0.410810 trlgG= -0.515311 logG= -0.101422 TDE= -0.797903 logGD-logG0= -0.002331 tlogG= -0.048691 logG= -0.051022 Density= 0.286662 ETOT(band)= -0.205761 trlgG= -0.258105 logG= -0.051022 TDE= -0.399040 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005353 tlogG= -0.087735 logG= -0.093089 Density= 0.602810 ETOT(band)= -0.385530 trlgG= -0.483533 logG= -0.093089 TDE= -0.794103 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005787 tlogG= -0.085755 logG= -0.091542 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 Density= 0.613036 ETOT(band)= -0.377984 trlgG= -0.474063 logG= -0.091542 TDE= -0.793027 logGD-logG0= -0.002860 tlogG= -0.045762 logG= -0.048622 Density= 0.294879 ETOT(band)= -0.198637 trlgG= -0.248881 logG= -0.048622 TDE= -0.397719 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.004699 tlogG= -0.095532 logG= -0.100232 Density= 0.573937 ETOT(band)= -0.409416 trlgG= -0.513484 logG= -0.100232 TDE= -0.797577 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002325 tlogG= -0.048238 logG= -0.050563 Density= 0.286801 ETOT(band)= -0.205250 trlgG= -0.257455 logG= -0.050563 TDE= -0.398941 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004684 tlogG= -0.096997 logG= -0.101681 Density= 0.573364 ETOT(band)= -0.411039 trlgG= -0.515592 logG= -0.101681 TDE= -0.797851 logGD-logG0= -0.005048 tlogG= -0.093092 logG= -0.098140 Density= 0.588439 ETOT(band)= -0.398873 trlgG= -0.500624 logG= -0.098140 TDE= -0.796519 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002424 tlogG= -0.046238 logG= -0.048662 Density= 0.293448 ETOT(band)= -0.199497 trlgG= -0.250386 logG= -0.048662 TDE= -0.398225 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002327 tlogG= -0.049144 logG= -0.051471 Density= 0.286523 ETOT(band)= -0.206182 trlgG= -0.258719 logG= -0.051471 TDE= -0.399111 logGD-logG0= -0.004769 tlogG= -0.092905 logG= -0.097674 Density= 0.578645 ETOT(band)= -0.404185 trlgG= -0.506735 logG= -0.097674 TDE= -0.796538 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004731 tlogG= -0.095740 logG= -0.100471 Density= 0.575812 ETOT(band)= -0.408465 trlgG= -0.512404 logG= -0.100471 TDE= -0.797514 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005186 tlogG= -0.088719 logG= -0.093905 Density= 0.597865 ETOT(band)= -0.389237 trlgG= -0.488259 logG= -0.093905 TDE= -0.794701 22) Finished k-point 45 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002335 tlogG= -0.048620 logG= -0.050955 Density= 0.286645 ETOT(band)= -0.205643 trlgG= -0.257954 logG= -0.050955 TDE= -0.398945 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000095 tlogG= -0.002059 logG= -0.002155 Density= 0.083459 ETOT(band)= -0.060362 trlgG= -0.075660 logG= -0.002155 TDE= -0.016636 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.000581 tlogG= -0.012367 logG= -0.012948 Density= 0.358088 ETOT(band)= -0.257954 trlgG= -0.323768 logG= -0.012948 TDE= -0.099795 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001144 tlogG= -0.024743 logG= -0.025887 Density= 0.238479 ETOT(band)= -0.172467 trlgG= -0.216202 logG= -0.025887 TDE= -0.199647 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002293 tlogG= -0.049523 logG= -0.051816 Density= 0.381749 ETOT(band)= -0.275762 trlgG= -0.345703 logG= -0.051816 TDE= -0.399230 logGD-logG0= -0.002308 tlogG= -0.049059 logG= -0.051367 Density= 0.382102 ETOT(band)= -0.274785 trlgG= -0.344511 logG= -0.051367 TDE= -0.399006 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000579 tlogG= -0.012391 logG= -0.012970 Density= 0.358059 ETOT(band)= -0.258141 trlgG= -0.323991 logG= -0.012970 TDE= -0.099808 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001195 tlogG= -0.023955 logG= -0.025150 Density= 0.437747 ETOT(band)= -0.302784 trlgG= -0.380263 logG= -0.025150 TDE= -0.199401 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002312 tlogG= -0.049573 logG= -0.051885 logGD-logG0= -0.000784 tlogG= -0.015625 logG= -0.016409 Density= 0.167336 ETOT(band)= -0.119606 trlgG= -0.150010 logG= -0.016409 TDE= -0.132843 Density= 0.572843 ETOT(band)= -0.413281 trlgG= -0.518540 logG= -0.051885 TDE= -0.399241 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002318 tlogG= -0.049323 logG= -0.051641 Density= 0.859496 ETOT(band)= -0.619024 trlgG= -0.776609 logG= -0.051641 TDE= -0.399187 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000574 tlogG= -0.012410 logG= -0.012984 Density= 0.357848 ETOT(band)= -0.258677 trlgG= -0.324407 logG= -0.012984 TDE= -0.099836 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003855 tlogG= -0.039294 logG= -0.043149 Density= 0.416744 ETOT(band)= -0.243777 trlgG= -0.304223 logG= -0.043149 TDE= -0.394598 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002290 tlogG= -0.049547 logG= -0.051837 Density= 0.429375 ETOT(band)= -0.310389 trlgG= -0.389165 logG= -0.051837 TDE= -0.399292 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000572 tlogG= -0.012386 logG= -0.012959 Density= 0.357767 ETOT(band)= -0.258705 trlgG= -0.324366 logG= -0.012959 TDE= -0.099830 57) Finished k-point 116 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000576 tlogG= -0.012422 logG= -0.012997 Density= 0.357931 ETOT(band)= -0.258575 trlgG= -0.324334 logG= -0.012997 TDE= -0.099827 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001165 tlogG= -0.024419 logG= -0.025584 Density= 0.429971 ETOT(band)= -0.308723 trlgG= -0.387268 logG= -0.025584 TDE= -0.199543 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002316 tlogG= -0.049190 logG= -0.051506 Density= 0.859598 ETOT(band)= -0.618713 trlgG= -0.776005 logG= -0.051506 TDE= -0.399159 logGD-logG0= -0.002457 tlogG= -0.045166 logG= -0.047624 Density= 0.397836 ETOT(band)= -0.260485 trlgG= -0.326988 logG= -0.047624 TDE= -0.397782 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002873 tlogG= -0.043116 logG= -0.045989 Density= 0.457013 ETOT(band)= -0.287120 trlgG= -0.360589 logG= -0.045989 TDE= -0.396745 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.001153 tlogG= -0.024693 logG= -0.025847 Density= 0.429666 ETOT(band)= -0.309786 trlgG= -0.388436 logG= -0.025847 TDE= -0.199593 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002296 tlogG= -0.049578 logG= -0.051874 Density= 0.572649 ETOT(band)= -0.413678 trlgG= -0.518700 logG= -0.051874 TDE= -0.399261 logGD-logG0= -0.002342 tlogG= -0.047757 logG= -0.050099 Density= 0.573680 ETOT(band)= -0.410184 trlgG= -0.514510 logG= -0.050099 TDE= -0.398796 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002998 tlogG= -0.042543 logG= -0.045541 Density= 0.604588 ETOT(band)= -0.386084 trlgG= -0.484354 logG= -0.045541 TDE= -0.396400 logGD-logG0= -0.002324 tlogG= -0.048877 logG= -0.051201 Density= 0.573185 ETOT(band)= -0.411953 trlgG= -0.516772 logG= -0.051201 TDE= -0.399035 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003026 tlogG= -0.042273 logG= -0.045299 Density= 0.620173 ETOT(band)= -0.371755 trlgG= -0.465668 logG= -0.045299 TDE= -0.396150 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002707 tlogG= -0.044774 logG= -0.047481 Density= 0.599002 ETOT(band)= -0.388425 trlgG= -0.486901 logG= -0.047481 TDE= -0.397456 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002667 tlogG= -0.046580 logG= -0.049247 Density= 0.588780 ETOT(band)= -0.398391 trlgG= -0.499644 logG= -0.049247 TDE= -0.398194 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002348 tlogG= -0.048475 logG= -0.050823 Density= 0.860093 ETOT(band)= -0.616090 trlgG= -0.772694 logG= -0.050823 TDE= -0.398867 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002328 tlogG= -0.049224 logG= -0.051552 Density= 0.573045 ETOT(band)= -0.412230 trlgG= -0.517281 logG= -0.051552 TDE= -0.399093 logGD-logG0= -0.002474 tlogG= -0.045007 logG= -0.047481 Density= 0.590359 ETOT(band)= -0.396752 trlgG= -0.497828 logG= -0.047481 TDE= -0.397601 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002341 tlogG= -0.048663 logG= -0.051004 Density= 0.860008 ETOT(band)= -0.616731 trlgG= -0.773626 logG= -0.051004 TDE= -0.398975 logGD-logG0= -0.004599 tlogG= -0.098945 logG= -0.103544 Density= 0.859184 ETOT(band)= -0.619961 trlgG= -0.777118 logG= -0.103544 TDE= -0.798287 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.003147 tlogG= -0.042043 logG= -0.045189 Density= 0.414367 ETOT(band)= -0.247666 trlgG= -0.310477 logG= -0.045189 TDE= -0.396160 logGD-logG0= -0.006592 tlogG= -0.082780 logG= -0.089372 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.933456 ETOT(band)= -0.554926 trlgG= -0.694641 logG= -0.089372 TDE= -0.791536 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002322 tlogG= -0.049339 logG= -0.051661 Density= 0.573001 ETOT(band)= -0.412557 trlgG= -0.517709 logG= -0.051661 TDE= -0.399164 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002305 tlogG= -0.049563 logG= -0.051868 Density= 0.572790 ETOT(band)= -0.413406 trlgG= -0.518479 logG= -0.051868 TDE= -0.399196 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002880 tlogG= -0.044981 logG= -0.047861 Density= 0.590725 ETOT(band)= -0.394195 trlgG= -0.493224 logG= -0.047861 TDE= -0.397390 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002363 tlogG= -0.048064 logG= -0.050427 Density= 0.863575 ETOT(band)= -0.612958 trlgG= -0.768951 logG= -0.050427 TDE= -0.398814 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.004712 tlogG= -0.095596 logG= -0.100308 Density= 0.860662 ETOT(band)= -0.613564 trlgG= -0.769159 logG= -0.100308 TDE= -0.797347 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005157 tlogG= -0.093731 logG= -0.098887 Density= 1.177020 ETOT(band)= -0.797808 trlgG= -1.000987 logG= -0.098887 TDE= -0.796617 logGD-logG0= -0.002332 tlogG= -0.048272 logG= -0.050604 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005510 tlogG= -0.092376 logG= -0.097887 Density= 1.178042 ETOT(band)= -0.795345 trlgG= -0.996730 logG= -0.097887 TDE= -0.795928 Density= 0.573762 ETOT(band)= -0.409875 trlgG= -0.514107 logG= -0.050604 TDE= -0.398951 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004670 tlogG= -0.097721 logG= -0.102391 Density= 0.859813 ETOT(band)= -0.617175 trlgG= -0.774186 logG= -0.102391 TDE= -0.797922 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002426 tlogG= -0.045423 logG= -0.047849 Density= 0.587577 ETOT(band)= -0.398986 trlgG= -0.500739 logG= -0.047849 TDE= -0.397851 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.004715 tlogG= -0.094019 logG= -0.098733 logGD-logG0= -0.002384 tlogG= -0.047812 logG= -0.050196 Density= 0.871167 ETOT(band)= -0.607729 trlgG= -0.762720 logG= -0.050196 TDE= -0.398672 Density= 0.862589 ETOT(band)= -0.610171 trlgG= -0.764891 logG= -0.098733 TDE= -0.797094 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.004619 tlogG= -0.098741 logG= -0.103359 Density= 0.859419 ETOT(band)= -0.619326 trlgG= -0.776635 logG= -0.103359 TDE= -0.798281 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001426 tlogG= -0.023015 logG= -0.024441 logGD-logG0= -0.004661 tlogG= -0.097578 logG= -0.102239 logGD-logG0= -0.004792 tlogG= -0.094030 logG= -0.098822 Density= 1.165940 ETOT(band)= -0.803675 trlgG= -1.008060 logG= -0.098822 TDE= -0.796814 Density= 1.146723 ETOT(band)= -0.822514 trlgG= -1.031763 logG= -0.102239 TDE= -0.798077 Density= 0.442283 ETOT(band)= -0.298096 trlgG= -0.373530 logG= -0.024441 TDE= -0.198913 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 38) Finished k-point 78 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005599 tlogG= -0.088584 logG= -0.094184 Density= 1.202972 ETOT(band)= -0.772352 trlgG= -0.967543 logG= -0.094184 TDE= -0.794335 logGD-logG0= -0.004693 tlogG= -0.096537 logG= -0.101230 Density= 1.147570 ETOT(band)= -0.819946 trlgG= -1.028453 logG= -0.101230 TDE= -0.797859 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004638 tlogG= -0.097478 logG= -0.102116 Density= 0.860099 ETOT(band)= -0.616880 trlgG= -0.773721 logG= -0.102116 TDE= -0.798047 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004695 tlogG= -0.096059 logG= -0.100754 Density= 0.860580 ETOT(band)= -0.614325 trlgG= -0.770362 logG= -0.100754 TDE= -0.797613 logGD-logG0= -0.005230 tlogG= -0.090282 logG= -0.095511 Density= 1.192163 ETOT(band)= -0.781420 trlgG= -0.979638 logG= -0.095511 TDE= -0.795241 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005021 tlogG= -0.094385 logG= -0.099406 Density= 1.176507 ETOT(band)= -0.799136 trlgG= -1.003232 logG= -0.099406 TDE= -0.796989 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002404 tlogG= -0.047124 logG= -0.049529 Density= 0.586026 ETOT(band)= -0.400319 trlgG= -0.502543 logG= -0.049529 TDE= -0.398547 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.004743 tlogG= -0.094612 logG= -0.099355 Density= 1.155348 ETOT(band)= -0.811088 trlgG= -1.017060 logG= -0.099355 TDE= -0.797147 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005093 tlogG= -0.091123 logG= -0.096215 Density= 1.186960 ETOT(band)= -0.785926 trlgG= -0.985751 logG= -0.096215 TDE= -0.795752 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.004658 tlogG= -0.098016 logG= -0.102674 Density= 0.859752 ETOT(band)= -0.617727 trlgG= -0.774961 logG= -0.102674 TDE= -0.798102 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Sum of eigenvalues= -385.863332938069 eV TrLogG= -483.620517273207 eV Ratio to renormalize= 1.000763001758 rho-rho_expected=-0.031259221231 nargs= 1 argi=dmft2.def 11) Finished k-point number 23 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 2) Finished k-point number 6 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 18) Finished k-point number 37 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 5) Finished k-point number 12 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 22) Finished k-point number 45 1 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 35) Finished k-point number 71 1 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 37) Finished k-point number 76 2 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 13) Finished k-point number 27 1 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 20) Finished k-point number 42 2 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 57) Finished k-point number 116 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 39) Finished k-point number 80 2 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 24) Finished k-point number 50 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 27) Finished k-point number 56 2 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 25) Finished k-point number 51 1 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 6) Finished k-point number 13 1 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 59) Finished k-point number 119 1 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 59) Finished k-point number 120 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 36) Finished k-point number 73 1 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 38) Finished k-point number 77 1 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 28) Finished k-point number 58 2 with #bands= 19 0) Finished k-point number 1 1 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.862212087430790 0.869465890405579 0.847294411278842 4) Finished k-point number 9 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 59) Finished k-point number 119 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 41) Finished k-point number 83 1 with #bands= 19 16) Finished k-point number 33 1 with #bands= 19 31) Finished k-point number 63 1 with #bands= 19 40) Finished k-point number 81 1 with #bands= 19 39) Finished k-point number 79 1 with #bands= 19 3) Finished k-point number 7 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 56) Finished k-point number 113 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 27) Finished k-point number 55 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 18) Finished k-point number 38 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 17) Finished k-point number 36 2 with #bands= 19 57) Finished k-point number 116 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 20) Finished k-point number 42 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 32) Finished k-point number 66 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 24) Finished k-point number 50 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 40) Finished k-point number 82 2 with #bands= 19 9) Finished k-point number 20 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 55) Finished k-point number 112 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 12) Finished k-point number 26 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 39) Finished k-point number 80 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 9.11075434687449 Density= 41.0003811495995 41.0000000000000 EF 8.83864051476091 Density= 40.7241353013222 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.66962815 0.64962815 0.381150E-03 -0.275865 1 0.66960056 0.66962815 -0.186056E-03 0.381150E-03 2 0.66960961 0.66960056 0.173530E-07 -0.186056E-03 3 0.66960961 0.66960056 0.795808E-12 -0.186056E-03 Absolute convergence of |F(X)|. Difference in EF= -0.0002523045 EF set to : 9.1105020424 new EF (no-mixing): 9.1105020424 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.000572 tlogG= -0.012363 logG= -0.012935 Density= 0.071537 ETOT(band)= -0.051739 trlgG= -0.064851 logG= -0.012935 TDE= -0.099818 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 25 logGD-logG0= -0.000578 tlogG= -0.012415 logG= -0.012992 Density= 0.071596 ETOT(band)= -0.051696 trlgG= -0.064867 logG= -0.012992 TDE= -0.099816 logGD-logG0= -0.000765 tlogG= -0.016481 logG= -0.017246 Density= 0.095453 ETOT(band)= -0.068907 trlgG= -0.086367 logG= -0.017246 TDE= -0.133038 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001363 tlogG= -0.012809 logG= -0.014172 Density= 0.104403 ETOT(band)= -0.060659 trlgG= -0.075627 logG= -0.014172 TDE= -0.131364 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000763 tlogG= -0.016500 logG= -0.017262 Density= 0.095396 ETOT(band)= -0.068985 trlgG= -0.086480 logG= -0.017262 TDE= -0.133095 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002313 tlogG= -0.049476 logG= -0.051789 Density= 0.286434 ETOT(band)= -0.206588 trlgG= -0.259195 logG= -0.051789 TDE= -0.399205 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000771 tlogG= -0.016229 logG= -0.017000 Density= 0.095557 ETOT(band)= -0.068587 trlgG= -0.086014 logG= -0.017000 TDE= -0.133000 logGD-logG0= -0.002333 tlogG= -0.049003 logG= -0.051336 Density= 0.286545 ETOT(band)= -0.206009 trlgG= -0.258479 logG= -0.051336 TDE= -0.399016 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002329 tlogG= -0.048930 logG= -0.051259 Density= 0.286586 ETOT(band)= -0.206008 trlgG= -0.258445 logG= -0.051259 TDE= -0.399087 logGD-logG0= -0.004638 tlogG= -0.098406 logG= -0.103044 Density= 0.573018 ETOT(band)= -0.412594 trlgG= -0.517603 logG= -0.103044 TDE= -0.798258 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001157 tlogG= -0.013609 logG= -0.014765 Density= 0.103752 ETOT(band)= -0.061618 trlgG= -0.077123 logG= -0.014765 TDE= -0.131831 logGD-logG0= -0.002320 tlogG= -0.049451 logG= -0.051771 Density= 0.286452 ETOT(band)= -0.206489 trlgG= -0.259157 logG= -0.051771 TDE= -0.399197 logGD-logG0= -0.001146 tlogG= -0.024774 logG= -0.025920 Density= 0.143136 ETOT(band)= -0.103451 trlgG= -0.129707 logG= -0.025920 TDE= -0.199632 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002325 tlogG= -0.049345 logG= -0.051669 Density= 0.286475 ETOT(band)= -0.206338 trlgG= -0.258973 logG= -0.051669 TDE= -0.399130 logGD-logG0= -0.002327 tlogG= -0.049140 logG= -0.051467 Density= 0.286523 ETOT(band)= -0.206180 trlgG= -0.258713 logG= -0.051467 TDE= -0.399104 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000880 tlogG= -0.014686 logG= -0.015565 Density= 0.102814 ETOT(band)= -0.062905 trlgG= -0.079135 logG= -0.015565 TDE= -0.132415 logGD-logG0= -0.003651 tlogG= -0.040085 logG= -0.043736 Density= 0.311594 ETOT(band)= -0.184135 trlgG= -0.230144 logG= -0.043736 TDE= -0.395054 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003463 tlogG= -0.040685 logG= -0.044148 Density= 0.311579 ETOT(band)= -0.184489 trlgG= -0.230855 logG= -0.044148 TDE= -0.395344 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002749 tlogG= -0.046443 logG= -0.049193 Density= 0.294356 ETOT(band)= -0.199491 trlgG= -0.250148 logG= -0.049193 TDE= -0.398059 logGD-logG0= -0.002779 tlogG= -0.043435 logG= -0.046215 Density= 0.304169 ETOT(band)= -0.190809 trlgG= -0.239387 logG= -0.046215 TDE= -0.396847 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002290 tlogG= -0.049545 logG= -0.051835 Density= 0.286218 ETOT(band)= -0.206959 trlgG= -0.259483 logG= -0.051835 TDE= -0.399302 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002307 tlogG= -0.049297 logG= -0.051603 Density= 0.286455 ETOT(band)= -0.206487 trlgG= -0.258889 logG= -0.051603 TDE= -0.399099 logGD-logG0= -0.002574 tlogG= -0.047096 logG= -0.049670 Density= 0.294107 ETOT(band)= -0.200056 trlgG= -0.251119 logG= -0.049670 TDE= -0.398386 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002682 tlogG= -0.045865 logG= -0.048547 Density= 0.294483 ETOT(band)= -0.198818 trlgG= -0.249267 logG= -0.048547 TDE= -0.397908 logGD-logG0= -0.001331 tlogG= -0.023410 logG= -0.024740 20) Finished k-point 41 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.147118 ETOT(band)= -0.099912 trlgG= -0.125367 logG= -0.024740 TDE= -0.199138 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002911 tlogG= -0.043767 logG= -0.046678 Density= 0.295627 ETOT(band)= -0.196385 trlgG= -0.245573 logG= -0.046678 TDE= -0.396849 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002860 tlogG= -0.045758 logG= -0.048618 Density= 0.294881 ETOT(band)= -0.198634 trlgG= -0.248874 logG= -0.048618 TDE= -0.397711 logGD-logG0= -0.002309 tlogG= -0.049454 logG= -0.051763 Density= 0.286414 ETOT(band)= -0.206639 trlgG= -0.259174 logG= -0.051763 TDE= -0.399197 logGD-logG0= -0.002374 tlogG= -0.046096 logG= -0.048470 Density= 0.288103 ETOT(band)= -0.202484 trlgG= -0.253750 logG= -0.048470 TDE= -0.398196 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002304 tlogG= -0.049627 logG= -0.051931 Density= 0.286349 ETOT(band)= -0.206845 trlgG= -0.259437 logG= -0.051931 TDE= -0.399249 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005185 tlogG= -0.092361 logG= -0.097545 Density= 0.588691 ETOT(band)= -0.398178 trlgG= -0.499433 logG= -0.097545 TDE= -0.796081 logGD-logG0= -0.002394 tlogG= -0.047704 logG= -0.050098 Density= 0.291917 ETOT(band)= -0.201742 trlgG= -0.253358 logG= -0.050098 TDE= -0.398731 logGD-logG0= -0.002369 tlogG= -0.047031 logG= -0.049400 Density= 0.287020 ETOT(band)= -0.203985 trlgG= -0.255624 logG= -0.049400 TDE= -0.398416 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005546 tlogG= -0.090880 logG= -0.096427 Density= 0.589210 ETOT(band)= -0.396889 trlgG= -0.497202 logG= -0.096427 TDE= -0.795316 logGD-logG0= -0.002325 tlogG= -0.048234 logG= -0.050560 Density= 0.286801 ETOT(band)= -0.205248 trlgG= -0.257449 logG= -0.050560 TDE= -0.398934 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002295 tlogG= -0.049609 logG= -0.051904 Density= 0.286283 ETOT(band)= -0.206930 trlgG= -0.259505 logG= -0.051904 TDE= -0.399298 logGD-logG0= -0.002302 tlogG= -0.049304 logG= -0.051606 Density= 0.286444 ETOT(band)= -0.206508 trlgG= -0.258804 logG= -0.051606 TDE= -0.399003 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002338 tlogG= -0.047633 logG= -0.049971 Density= 0.286977 ETOT(band)= -0.204580 trlgG= -0.256585 logG= -0.049971 TDE= -0.398777 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002506 tlogG= -0.047414 logG= -0.049920 logGD-logG0= -0.002358 tlogG= -0.047312 logG= -0.049670 Density= 0.286988 ETOT(band)= -0.204266 trlgG= -0.256083 logG= -0.049670 TDE= -0.398583 Density= 0.293973 ETOT(band)= -0.200369 trlgG= -0.251638 logG= -0.049920 TDE= -0.398566 logGD-logG0= -0.005186 tlogG= -0.088711 logG= -0.093897 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.597866 ETOT(band)= -0.389232 trlgG= -0.488247 logG= -0.093897 TDE= -0.794686 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 22) Finished k-point 45 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002346 tlogG= -0.048440 logG= -0.050786 Density= 0.286766 ETOT(band)= -0.205455 trlgG= -0.257735 logG= -0.050786 TDE= -0.398971 logGD-logG0= -0.002342 tlogG= -0.048436 logG= -0.050778 logGD-logG0= -0.004769 tlogG= -0.092897 logG= -0.097666 Density= 0.286664 ETOT(band)= -0.205443 trlgG= -0.257665 logG= -0.050778 TDE= -0.398840 Density= 0.578645 ETOT(band)= -0.404180 trlgG= -0.506723 logG= -0.097666 TDE= -0.796523 37) Finished k-point 75 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002312 tlogG= -0.049116 logG= -0.051428 Density= 0.286529 ETOT(band)= -0.206246 trlgG= -0.258612 logG= -0.051428 TDE= -0.399046 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002335 tlogG= -0.048616 logG= -0.050951 Density= 0.286645 ETOT(band)= -0.205642 trlgG= -0.257949 logG= -0.050951 TDE= -0.398938 logGD-logG0= -0.002424 tlogG= -0.046234 logG= -0.048658 logGD-logG0= -0.005354 tlogG= -0.087727 logG= -0.093081 Density= 0.602811 ETOT(band)= -0.385526 trlgG= -0.483521 logG= -0.093081 TDE= -0.794088 Density= 0.293448 ETOT(band)= -0.199495 trlgG= -0.250380 logG= -0.048658 TDE= -0.398218 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.004731 tlogG= -0.095732 logG= -0.100463 Density= 0.575812 ETOT(band)= -0.408460 trlgG= -0.512393 logG= -0.100463 TDE= -0.797499 logGD-logG0= -0.004667 tlogG= -0.096747 logG= -0.101414 Density= 0.573473 ETOT(band)= -0.410806 trlgG= -0.515299 logG= -0.101414 TDE= -0.797888 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004774 tlogG= -0.095210 logG= -0.099984 Density= 0.580906 ETOT(band)= -0.404951 trlgG= -0.508207 logG= -0.099984 TDE= -0.797203 logGD-logG0= -0.004828 tlogG= -0.092207 logG= -0.097035 Density= 0.583946 ETOT(band)= -0.400432 trlgG= -0.502132 logG= -0.097035 TDE= -0.796113 logGD-logG0= -0.002299 tlogG= -0.049523 logG= -0.051822 Density= 0.286342 ETOT(band)= -0.206797 trlgG= -0.259279 logG= -0.051822 TDE= -0.399195 logGD-logG0= -0.004699 tlogG= -0.095525 logG= -0.100224 Density= 0.573937 ETOT(band)= -0.409412 trlgG= -0.513473 logG= -0.100224 TDE= -0.797562 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.004700 tlogG= -0.096597 logG= -0.101297 Density= 0.573420 ETOT(band)= -0.410606 trlgG= -0.514957 logG= -0.101297 TDE= -0.797628 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005048 tlogG= -0.093084 logG= -0.098132 Density= 0.588439 ETOT(band)= -0.398869 trlgG= -0.500612 logG= -0.098132 TDE= -0.796504 logGD-logG0= -0.005787 tlogG= -0.085747 logG= -0.091534 Density= 0.613037 ETOT(band)= -0.377980 trlgG= -0.474051 logG= -0.091534 TDE= -0.793012 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.004684 tlogG= -0.096989 logG= -0.101673 Density= 0.573364 ETOT(band)= -0.411035 trlgG= -0.515580 logG= -0.101673 TDE= -0.797836 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002331 tlogG= -0.048687 logG= -0.051018 Density= 0.286662 ETOT(band)= -0.205759 trlgG= -0.258099 logG= -0.051018 TDE= -0.399032 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004636 tlogG= -0.098134 logG= -0.102769 Density= 0.573090 ETOT(band)= -0.412380 trlgG= -0.517183 logG= -0.102769 TDE= -0.798160 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000095 tlogG= -0.002059 logG= -0.002154 Density= 0.083459 ETOT(band)= -0.060361 trlgG= -0.075658 logG= -0.002154 TDE= -0.016636 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.001144 tlogG= -0.024741 logG= -0.025885 Density= 0.238479 ETOT(band)= -0.172465 trlgG= -0.216198 logG= -0.025885 TDE= -0.199643 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000784 tlogG= -0.015624 logG= -0.016408 Density= 0.167336 ETOT(band)= -0.119605 trlgG= -0.150007 logG= -0.016408 TDE= -0.132840 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000579 tlogG= -0.012390 logG= -0.012969 Density= 0.358058 ETOT(band)= -0.258138 trlgG= -0.323984 logG= -0.012969 TDE= -0.099807 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000581 tlogG= -0.012366 logG= -0.012947 Density= 0.358087 ETOT(band)= -0.257951 trlgG= -0.323761 logG= -0.012947 TDE= -0.099793 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002293 tlogG= -0.049519 logG= -0.051812 Density= 0.381749 ETOT(band)= -0.275759 trlgG= -0.345696 logG= -0.051812 TDE= -0.399223 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002312 tlogG= -0.049569 logG= -0.051881 Density= 0.572842 ETOT(band)= -0.413277 trlgG= -0.518529 logG= -0.051881 TDE= -0.399234 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002318 tlogG= -0.049320 logG= -0.051637 Density= 0.859496 ETOT(band)= -0.619018 trlgG= -0.776592 logG= -0.051637 TDE= -0.399180 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003855 tlogG= -0.039290 logG= -0.043145 Density= 0.416747 ETOT(band)= -0.243772 trlgG= -0.304213 logG= -0.043145 TDE= -0.394590 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002322 tlogG= -0.049335 logG= -0.051657 Density= 0.573001 ETOT(band)= -0.412553 trlgG= -0.517698 logG= -0.051657 TDE= -0.399157 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000572 tlogG= -0.012386 logG= -0.012958 Density= 0.357767 ETOT(band)= -0.258703 trlgG= -0.324359 logG= -0.012958 TDE= -0.099828 57) Finished k-point 116 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000576 tlogG= -0.012421 logG= -0.012996 Density= 0.357931 ETOT(band)= -0.258573 trlgG= -0.324327 logG= -0.012996 TDE= -0.099825 logGD-logG0= -0.002290 tlogG= -0.049543 logG= -0.051833 Density= 0.429375 ETOT(band)= -0.310386 trlgG= -0.389157 logG= -0.051833 TDE= -0.399285 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002308 tlogG= -0.049055 logG= -0.051364 Density= 0.382102 ETOT(band)= -0.274782 trlgG= -0.344504 logG= -0.051364 TDE= -0.398999 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001195 tlogG= -0.023953 logG= -0.025148 Density= 0.437748 ETOT(band)= -0.302780 trlgG= -0.380254 logG= -0.025148 TDE= -0.199398 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003147 tlogG= -0.042039 logG= -0.045185 Density= 0.414368 ETOT(band)= -0.247664 trlgG= -0.310469 logG= -0.045185 TDE= -0.396152 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000574 tlogG= -0.012409 logG= -0.012983 Density= 0.357848 ETOT(band)= -0.258674 trlgG= -0.324400 logG= -0.012983 TDE= -0.099834 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002364 tlogG= -0.048060 logG= -0.050423 Density= 0.863576 ETOT(band)= -0.612951 trlgG= -0.768934 logG= -0.050423 TDE= -0.398807 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.001153 tlogG= -0.024692 logG= -0.025845 Density= 0.429666 ETOT(band)= -0.309783 trlgG= -0.388427 logG= -0.025845 TDE= -0.199589 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002457 tlogG= -0.045162 logG= -0.047620 Density= 0.397837 ETOT(band)= -0.260482 trlgG= -0.326980 logG= -0.047620 TDE= -0.397775 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002328 tlogG= -0.049220 logG= -0.051548 Density= 0.573045 ETOT(band)= -0.412226 trlgG= -0.517269 logG= -0.051548 TDE= -0.399085 logGD-logG0= -0.002873 tlogG= -0.043112 logG= -0.045985 Density= 0.457013 ETOT(band)= -0.287117 trlgG= -0.360581 logG= -0.045985 TDE= -0.396738 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003026 tlogG= -0.042268 logG= -0.045295 Density= 0.620177 ETOT(band)= -0.371749 trlgG= -0.465653 logG= -0.045295 TDE= -0.396143 logGD-logG0= -0.001426 tlogG= -0.023013 logG= -0.024439 Density= 0.442286 ETOT(band)= -0.298091 trlgG= -0.373520 logG= -0.024439 TDE= -0.198910 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001165 tlogG= -0.024417 logG= -0.025582 Density= 0.429971 ETOT(band)= -0.308720 trlgG= -0.387259 logG= -0.025582 TDE= -0.199540 logGD-logG0= -0.002324 tlogG= -0.048873 logG= -0.051197 Density= 0.573184 ETOT(band)= -0.411949 trlgG= -0.516761 logG= -0.051197 TDE= -0.399027 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002305 tlogG= -0.049559 logG= -0.051864 Density= 0.572789 ETOT(band)= -0.413402 trlgG= -0.518468 logG= -0.051864 TDE= -0.399189 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002474 tlogG= -0.045003 logG= -0.047478 Density= 0.590359 ETOT(band)= -0.396748 trlgG= -0.497816 logG= -0.047478 TDE= -0.397593 logGD-logG0= -0.002348 tlogG= -0.048471 logG= -0.050819 Density= 0.860093 ETOT(band)= -0.616084 trlgG= -0.772677 logG= -0.050819 TDE= -0.398860 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002667 tlogG= -0.046576 logG= -0.049243 Density= 0.588780 ETOT(band)= -0.398387 trlgG= -0.499632 logG= -0.049243 TDE= -0.398186 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004599 tlogG= -0.098937 logG= -0.103536 Density= 0.859183 ETOT(band)= -0.619955 trlgG= -0.777101 logG= -0.103536 TDE= -0.798272 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002707 tlogG= -0.044770 logG= -0.047477 Density= 0.599002 ETOT(band)= -0.388421 trlgG= -0.486889 logG= -0.047477 TDE= -0.397448 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002316 tlogG= -0.049186 logG= -0.051502 Density= 0.859598 ETOT(band)= -0.618708 trlgG= -0.775988 logG= -0.051502 TDE= -0.399152 logGD-logG0= -0.006593 tlogG= -0.082772 logG= -0.089364 Density= 0.933457 ETOT(band)= -0.554920 trlgG= -0.694623 logG= -0.089364 TDE= -0.791520 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002296 tlogG= -0.049574 logG= -0.051870 Density= 0.572649 ETOT(band)= -0.413674 trlgG= -0.518689 logG= -0.051870 TDE= -0.399254 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002998 tlogG= -0.042539 logG= -0.045537 Density= 0.604589 ETOT(band)= -0.386080 trlgG= -0.484342 logG= -0.045537 TDE= -0.396392 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002341 tlogG= -0.048660 logG= -0.051000 Density= 0.860008 ETOT(band)= -0.616725 trlgG= -0.773609 logG= -0.051000 TDE= -0.398968 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002880 tlogG= -0.044977 logG= -0.047857 Density= 0.590729 ETOT(band)= -0.394188 trlgG= -0.493209 logG= -0.047857 TDE= -0.397383 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002426 tlogG= -0.045419 logG= -0.047845 Density= 0.587577 ETOT(band)= -0.398982 trlgG= -0.500727 logG= -0.047845 TDE= -0.397844 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005511 tlogG= -0.092369 logG= -0.097879 Density= 1.178041 ETOT(band)= -0.795337 trlgG= -0.996707 logG= -0.097879 TDE= -0.795913 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005157 tlogG= -0.093723 logG= -0.098880 Density= 1.177020 ETOT(band)= -0.797800 trlgG= -1.000964 logG= -0.098880 TDE= -0.796602 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004713 tlogG= -0.095588 logG= -0.100301 Density= 0.860661 ETOT(band)= -0.613558 trlgG= -0.769142 logG= -0.100301 TDE= -0.797332 logGD-logG0= -0.004670 tlogG= -0.097713 logG= -0.102383 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.859813 ETOT(band)= -0.617169 trlgG= -0.774169 logG= -0.102383 TDE= -0.797907 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002332 tlogG= -0.048268 logG= -0.050600 Density= 0.573762 ETOT(band)= -0.409871 trlgG= -0.514095 logG= -0.050600 TDE= -0.398944 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004743 tlogG= -0.094604 logG= -0.099347 Density= 1.155350 ETOT(band)= -0.811079 trlgG= -1.017036 logG= -0.099347 TDE= -0.797132 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004639 tlogG= -0.097470 logG= -0.102109 Density= 0.860099 ETOT(band)= -0.616874 trlgG= -0.773704 logG= -0.102109 TDE= -0.798033 logGD-logG0= -0.002342 tlogG= -0.047753 logG= -0.050095 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.573680 ETOT(band)= -0.410180 trlgG= -0.514499 logG= -0.050095 TDE= -0.398789 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002404 tlogG= -0.047121 logG= -0.049525 Density= 0.586027 ETOT(band)= -0.400314 trlgG= -0.502531 logG= -0.049525 TDE= -0.398540 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.004715 tlogG= -0.094011 logG= -0.098726 Density= 0.862589 ETOT(band)= -0.610165 trlgG= -0.764874 logG= -0.098726 TDE= -0.797079 logGD-logG0= -0.004659 tlogG= -0.098008 logG= -0.102667 Density= 0.859752 ETOT(band)= -0.617721 trlgG= -0.774944 logG= -0.102667 TDE= -0.798087 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004619 tlogG= -0.098733 logG= -0.103352 Density= 0.859418 ETOT(band)= -0.619320 trlgG= -0.776618 logG= -0.103352 TDE= -0.798267 logGD-logG0= -0.004661 tlogG= -0.097571 logG= -0.102232 Density= 1.146722 ETOT(band)= -0.822506 trlgG= -1.031740 logG= -0.102232 TDE= -0.798062 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 38) Finished k-point 78 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004695 tlogG= -0.096051 logG= -0.100746 logGD-logG0= -0.005230 tlogG= -0.090274 logG= -0.095503 Density= 1.192163 ETOT(band)= -0.781412 trlgG= -0.979614 logG= -0.095503 TDE= -0.795226 Density= 0.860580 ETOT(band)= -0.614319 trlgG= -0.770345 logG= -0.100746 TDE= -0.797598 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005021 tlogG= -0.094377 logG= -0.099398 Density= 1.176507 ETOT(band)= -0.799129 trlgG= -1.003209 logG= -0.099398 TDE= -0.796974 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004694 tlogG= -0.096529 logG= -0.101223 Density= 1.147570 ETOT(band)= -0.819938 trlgG= -1.028430 logG= -0.101223 TDE= -0.797844 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002384 tlogG= -0.047809 logG= -0.050192 Density= 0.871168 ETOT(band)= -0.607722 trlgG= -0.762701 logG= -0.050192 TDE= -0.398664 logGD-logG0= -0.005093 tlogG= -0.091115 logG= -0.096208 Density= 1.186961 ETOT(band)= -0.785917 trlgG= -0.985727 logG= -0.096208 TDE= -0.795737 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.004792 tlogG= -0.094022 logG= -0.098814 Density= 1.165941 ETOT(band)= -0.803666 trlgG= -1.008035 logG= -0.098814 TDE= -0.796799 logGD-logG0= -0.005599 tlogG= -0.088576 logG= -0.094176 Density= 1.202972 ETOT(band)= -0.772344 trlgG= -0.967519 logG= -0.094176 TDE= -0.794320 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Sum of eigenvalues= -385.859372619929 eV TrLogG= -483.609474942063 eV Ratio to renormalize= 1.000762647539 rho-rho_expected=-0.031244720409 nargs= 1 argi=dmft2.def 53) Finished k-point number 107 1 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 53) Finished k-point number 108 2 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 58) Finished k-point number 118 2 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 52) Finished k-point number 105 1 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 5) Finished k-point number 12 2 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 4) Finished k-point number 9 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 48) Finished k-point number 98 2 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 15) Finished k-point number 32 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 14) Finished k-point number 30 2 with #bands= 19 13) Finished k-point number 27 1 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 29) Finished k-point number 59 1 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 3) Finished k-point number 8 2 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 6) Finished k-point number 13 1 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 24) Finished k-point number 49 1 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 30) Finished k-point number 62 2 with #bands= 19 6) Finished k-point number 14 2 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 26) Finished k-point number 53 1 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 7) Finished k-point number 16 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 0) Finished k-point number 1 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 40) Finished k-point number 82 2 with #bands= 19 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.862429995953869 0.869676525226305 0.847536673571798 58) Finished k-point number 117 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 59) Finished k-point number 119 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 41) Finished k-point number 83 1 with #bands= 19 16) Finished k-point number 33 1 with #bands= 19 30) Finished k-point number 61 1 with #bands= 19 4) Finished k-point number 9 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 40) Finished k-point number 81 1 with #bands= 19 17) Finished k-point number 35 1 with #bands= 19 19) Finished k-point number 39 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 1) Finished k-point number 3 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 30) Finished k-point number 62 2 with #bands= 19 42) Finished k-point number 86 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 0) Finished k-point number 2 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 32) Finished k-point number 66 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 41) Finished k-point number 84 2 with #bands= 19 16) Finished k-point number 34 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 40) Finished k-point number 82 2 with #bands= 19 24) Finished k-point number 50 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 44) Finished k-point number 90 2 with #bands= 19 21) Finished k-point number 44 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 56) Finished k-point number 114 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 9.11050204235607 Density= 41.0156698291798 41.0000000000000 EF 8.83838821024249 Density= 40.7328171102007 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.66960961 0.64960961 0.156698E-01 -0.267183 1 0.66850162 0.66960961 -0.732814E-02 0.156698E-01 2 0.66885468 0.66960961 -0.503935E-04 0.156698E-01 3 0.66885711 0.66960961 -0.235629E-06 0.156698E-01 4 0.66885712 0.66960961 -0.116742E-10 0.156698E-01 Absolute convergence of |F(X)|. Difference in EF= -0.0102380805 EF set to : 9.1002639618 new EF (no-mixing): 9.1002639618 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.000578 tlogG= -0.012384 logG= -0.012962 Density= 0.071595 ETOT(band)= -0.051703 trlgG= -0.064843 logG= -0.012962 TDE= -0.099768 logGD-logG0= -0.000572 tlogG= -0.012332 logG= -0.012904 Density= 0.071536 ETOT(band)= -0.051745 trlgG= -0.064828 logG= -0.012904 TDE= -0.099771 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 25 logGD-logG0= -0.001364 tlogG= -0.012763 logG= -0.014127 Density= 0.104474 ETOT(band)= -0.060621 trlgG= -0.075545 logG= -0.014127 TDE= -0.131296 logGD-logG0= -0.000763 tlogG= -0.016459 logG= -0.017222 Density= 0.095395 ETOT(band)= -0.068994 trlgG= -0.086449 logG= -0.017222 TDE= -0.133033 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002348 tlogG= -0.048314 logG= -0.050662 Density= 0.286762 ETOT(band)= -0.205480 trlgG= -0.257639 logG= -0.050662 TDE= -0.398780 37) Finished k-point 75 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002315 tlogG= -0.049351 logG= -0.051666 Density= 0.286430 ETOT(band)= -0.206613 trlgG= -0.259099 logG= -0.051666 TDE= -0.399015 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001158 tlogG= -0.013564 logG= -0.014721 Density= 0.103753 ETOT(band)= -0.061628 trlgG= -0.077090 logG= -0.014721 TDE= -0.131764 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000766 tlogG= -0.016439 logG= -0.017205 Density= 0.095452 ETOT(band)= -0.068915 trlgG= -0.086336 logG= -0.017205 TDE= -0.132975 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004641 tlogG= -0.098155 logG= -0.102797 Density= 0.573010 ETOT(band)= -0.412645 trlgG= -0.517411 logG= -0.102797 TDE= -0.797876 logGD-logG0= -0.002331 tlogG= -0.048804 logG= -0.051135 Density= 0.286582 ETOT(band)= -0.206033 trlgG= -0.258350 logG= -0.051135 TDE= -0.398897 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000772 tlogG= -0.016187 logG= -0.016959 Density= 0.095556 ETOT(band)= -0.068596 trlgG= -0.085982 logG= -0.016959 TDE= -0.132936 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000880 tlogG= -0.014642 logG= -0.015522 Density= 0.102816 ETOT(band)= -0.062915 trlgG= -0.079103 logG= -0.015522 TDE= -0.132350 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002329 tlogG= -0.049014 logG= -0.051343 Density= 0.286519 ETOT(band)= -0.206205 trlgG= -0.258615 logG= -0.051343 TDE= -0.398912 logGD-logG0= -0.002292 tlogG= -0.049422 logG= -0.051714 Density= 0.286214 ETOT(band)= -0.206985 trlgG= -0.259391 logG= -0.051714 TDE= -0.399113 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001147 tlogG= -0.024712 logG= -0.025859 Density= 0.143134 ETOT(band)= -0.103464 trlgG= -0.129661 logG= -0.025859 TDE= -0.199538 logGD-logG0= -0.002326 tlogG= -0.049218 logG= -0.051545 Density= 0.286470 ETOT(band)= -0.206362 trlgG= -0.258874 logG= -0.051545 TDE= -0.398937 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003653 tlogG= -0.039949 logG= -0.043603 Density= 0.311595 ETOT(band)= -0.184166 trlgG= -0.230043 logG= -0.043603 TDE= -0.394852 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003466 tlogG= -0.040549 logG= -0.044015 logGD-logG0= -0.002752 tlogG= -0.046313 logG= -0.049065 Density= 0.294353 ETOT(band)= -0.199518 trlgG= -0.250049 logG= -0.049065 TDE= -0.397863 Density= 0.311665 ETOT(band)= -0.184462 trlgG= -0.230698 logG= -0.044015 TDE= -0.395143 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001332 tlogG= -0.023345 logG= -0.024677 logGD-logG0= -0.002781 tlogG= -0.043304 logG= -0.046085 Density= 0.304169 ETOT(band)= -0.190840 trlgG= -0.239289 logG= -0.046085 TDE= -0.396649 Density= 0.147116 ETOT(band)= -0.099925 trlgG= -0.125318 logG= -0.024677 TDE= -0.199040 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002685 tlogG= -0.045735 logG= -0.048420 logGD-logG0= -0.002576 tlogG= -0.046967 logG= -0.049544 Density= 0.294104 ETOT(band)= -0.200083 trlgG= -0.251021 logG= -0.049544 TDE= -0.398191 logGD-logG0= -0.002334 tlogG= -0.048876 logG= -0.051211 Density= 0.286540 ETOT(band)= -0.206033 trlgG= -0.258380 logG= -0.051211 TDE= -0.398824 Density= 0.294480 ETOT(band)= -0.198845 trlgG= -0.249168 logG= -0.048420 TDE= -0.397713 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 20) Finished k-point 41 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002310 tlogG= -0.049330 logG= -0.051640 Density= 0.286411 ETOT(band)= -0.206665 trlgG= -0.259080 logG= -0.051640 TDE= -0.399008 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002306 tlogG= -0.049503 logG= -0.051808 Density= 0.286346 ETOT(band)= -0.206871 trlgG= -0.259344 logG= -0.051808 TDE= -0.399060 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002301 tlogG= -0.049399 logG= -0.051700 Density= 0.286338 ETOT(band)= -0.206823 trlgG= -0.259186 logG= -0.051700 TDE= -0.399006 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002509 tlogG= -0.047286 logG= -0.049794 Density= 0.293971 ETOT(band)= -0.200397 trlgG= -0.251542 logG= -0.049794 TDE= -0.398372 logGD-logG0= -0.002308 tlogG= -0.049172 logG= -0.051481 Density= 0.286451 ETOT(band)= -0.206513 trlgG= -0.258795 logG= -0.051481 TDE= -0.398909 logGD-logG0= -0.002396 tlogG= -0.047577 logG= -0.049973 Density= 0.291936 ETOT(band)= -0.201756 trlgG= -0.253248 logG= -0.049973 TDE= -0.398539 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002863 tlogG= -0.045627 logG= -0.048490 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002914 tlogG= -0.043634 logG= -0.046548 Density= 0.295742 ETOT(band)= -0.196332 trlgG= -0.245390 logG= -0.046548 TDE= -0.396651 Density= 0.294962 ETOT(band)= -0.198604 trlgG= -0.248717 logG= -0.048490 TDE= -0.397515 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005190 tlogG= -0.092102 logG= -0.097291 Density= 0.588685 ETOT(band)= -0.398233 trlgG= -0.499235 logG= -0.097291 TDE= -0.795690 logGD-logG0= -0.002327 tlogG= -0.048109 logG= -0.050436 Density= 0.286798 ETOT(band)= -0.205273 trlgG= -0.257352 logG= -0.050436 TDE= -0.398743 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005190 tlogG= -0.088450 logG= -0.093641 Density= 0.597869 ETOT(band)= -0.389285 trlgG= -0.488046 logG= -0.093641 TDE= -0.794294 22) Finished k-point 45 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.005552 tlogG= -0.090618 logG= -0.096171 Density= 0.589203 ETOT(band)= -0.396943 trlgG= -0.497001 logG= -0.096171 TDE= -0.794923 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004639 tlogG= -0.097884 logG= -0.102523 Density= 0.573082 ETOT(band)= -0.412432 trlgG= -0.516993 logG= -0.102523 TDE= -0.797780 logGD-logG0= -0.004778 tlogG= -0.094953 logG= -0.099732 Density= 0.580932 ETOT(band)= -0.404983 trlgG= -0.507987 logG= -0.099732 TDE= -0.796816 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002344 tlogG= -0.048309 logG= -0.050653 Density= 0.286659 ETOT(band)= -0.205467 trlgG= -0.257566 logG= -0.050653 TDE= -0.398647 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002304 tlogG= -0.049180 logG= -0.051484 Density= 0.286440 ETOT(band)= -0.206534 trlgG= -0.258710 logG= -0.051484 TDE= -0.398814 logGD-logG0= -0.004670 tlogG= -0.096495 logG= -0.101166 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.573465 ETOT(band)= -0.410856 trlgG= -0.515105 logG= -0.101166 TDE= -0.797506 logGD-logG0= -0.005358 tlogG= -0.087465 logG= -0.092823 Density= 0.602807 ETOT(band)= -0.385584 trlgG= -0.483324 logG= -0.092823 TDE= -0.793694 logGD-logG0= -0.002337 tlogG= -0.048489 logG= -0.050826 Density= 0.286640 ETOT(band)= -0.205666 trlgG= -0.257851 logG= -0.050826 TDE= -0.398746 logGD-logG0= -0.004832 tlogG= -0.091949 logG= -0.096780 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 Density= 0.583954 ETOT(band)= -0.400474 trlgG= -0.501922 logG= -0.096780 TDE= -0.795724 logGD-logG0= -0.002322 tlogG= -0.049325 logG= -0.051647 Density= 0.286448 ETOT(band)= -0.206514 trlgG= -0.259059 logG= -0.051647 TDE= -0.399005 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002333 tlogG= -0.048562 logG= -0.050895 Density= 0.286657 ETOT(band)= -0.205784 trlgG= -0.258003 logG= -0.050895 TDE= -0.398842 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002376 tlogG= -0.045968 logG= -0.048344 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.288107 ETOT(band)= -0.202503 trlgG= -0.253644 logG= -0.048344 TDE= -0.398003 logGD-logG0= -0.002371 tlogG= -0.046902 logG= -0.049274 logGD-logG0= -0.004703 tlogG= -0.095271 logG= -0.099974 logGD-logG0= -0.004704 tlogG= -0.096342 logG= -0.101046 Density= 0.573410 ETOT(band)= -0.410655 trlgG= -0.514759 logG= -0.101046 TDE= -0.797243 Density= 0.573929 ETOT(band)= -0.409461 trlgG= -0.513276 logG= -0.099974 TDE= -0.797178 Density= 0.287015 ETOT(band)= -0.204009 trlgG= -0.255523 logG= -0.049274 TDE= -0.398222 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002297 tlogG= -0.049485 logG= -0.051782 Density= 0.286279 ETOT(band)= -0.206957 trlgG= -0.259412 logG= -0.051782 TDE= -0.399110 logGD-logG0= -0.005792 tlogG= -0.085481 logG= -0.091273 Density= 0.613039 ETOT(band)= -0.378039 trlgG= -0.473853 logG= -0.091273 TDE= -0.792615 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002340 tlogG= -0.047506 logG= -0.049846 Density= 0.286973 ETOT(band)= -0.204604 trlgG= -0.256487 logG= -0.049846 TDE= -0.398585 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005053 tlogG= -0.092827 logG= -0.097880 Density= 0.588435 ETOT(band)= -0.398924 trlgG= -0.500417 logG= -0.097880 TDE= -0.796116 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.004688 tlogG= -0.096736 logG= -0.101424 Density= 0.573354 ETOT(band)= -0.411085 trlgG= -0.515385 logG= -0.101424 TDE= -0.797453 logGD-logG0= -0.002426 tlogG= -0.046106 logG= -0.048532 Density= 0.293456 ETOT(band)= -0.199516 trlgG= -0.250276 logG= -0.048532 TDE= -0.398024 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002314 tlogG= -0.048991 logG= -0.051305 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.286525 ETOT(band)= -0.206272 trlgG= -0.258517 logG= -0.051305 TDE= -0.398856 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004773 tlogG= -0.092641 logG= -0.097413 Density= 0.578663 ETOT(band)= -0.404214 trlgG= -0.506506 logG= -0.097413 TDE= -0.796136 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002360 tlogG= -0.047184 logG= -0.049545 logGD-logG0= -0.004735 tlogG= -0.095477 logG= -0.100212 Density= 0.575823 ETOT(band)= -0.408499 trlgG= -0.512183 logG= -0.100212 TDE= -0.797114 Density= 0.286983 ETOT(band)= -0.204290 trlgG= -0.255984 logG= -0.049545 TDE= -0.398390 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000095 tlogG= -0.002054 logG= -0.002149 Density= 0.083458 ETOT(band)= -0.060369 trlgG= -0.075631 logG= -0.002149 TDE= -0.016628 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.000784 tlogG= -0.015582 logG= -0.016366 logGD-logG0= -0.000581 tlogG= -0.012335 logG= -0.012916 Density= 0.167333 ETOT(band)= -0.119620 trlgG= -0.149950 logG= -0.016366 TDE= -0.132776 Density= 0.358082 ETOT(band)= -0.257982 trlgG= -0.323637 logG= -0.012916 TDE= -0.099745 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000573 tlogG= -0.012355 logG= -0.012928 Density= 0.357762 ETOT(band)= -0.258736 trlgG= -0.324244 logG= -0.012928 TDE= -0.099781 57) Finished k-point 116 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001145 tlogG= -0.024680 logG= -0.025824 Density= 0.238476 ETOT(band)= -0.172487 trlgG= -0.216121 logG= -0.025824 TDE= -0.199549 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002314 tlogG= -0.049444 logG= -0.051758 Density= 0.572834 ETOT(band)= -0.413328 trlgG= -0.518338 logG= -0.051758 TDE= -0.399044 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003858 tlogG= -0.039152 logG= -0.043010 Density= 0.416916 ETOT(band)= -0.243698 trlgG= -0.303962 logG= -0.043010 TDE= -0.394387 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002320 tlogG= -0.049194 logG= -0.051514 Density= 0.859484 ETOT(band)= -0.619094 trlgG= -0.776305 logG= -0.051514 TDE= -0.398990 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000576 tlogG= -0.012390 logG= -0.012966 Density= 0.357926 ETOT(band)= -0.258605 trlgG= -0.324210 logG= -0.012966 TDE= -0.099778 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001196 tlogG= -0.023889 logG= -0.025086 Density= 0.437777 ETOT(band)= -0.302801 trlgG= -0.380088 logG= -0.025086 TDE= -0.199301 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002292 tlogG= -0.049420 logG= -0.051712 Density= 0.429370 ETOT(band)= -0.310425 trlgG= -0.389019 logG= -0.051712 TDE= -0.399096 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003149 tlogG= -0.041906 logG= -0.045055 Density= 0.414370 ETOT(band)= -0.247706 trlgG= -0.310340 logG= -0.045055 TDE= -0.395953 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000580 tlogG= -0.012358 logG= -0.012938 Density= 0.358053 ETOT(band)= -0.258169 trlgG= -0.323862 logG= -0.012938 TDE= -0.099759 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001166 tlogG= -0.024354 logG= -0.025520 Density= 0.429965 ETOT(band)= -0.308758 trlgG= -0.387116 logG= -0.025520 TDE= -0.199445 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002310 tlogG= -0.048931 logG= -0.051241 Density= 0.382097 ETOT(band)= -0.274816 trlgG= -0.344377 logG= -0.051241 TDE= -0.398809 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002318 tlogG= -0.049061 logG= -0.051379 Density= 0.859586 ETOT(band)= -0.618785 trlgG= -0.775704 logG= -0.051379 TDE= -0.398962 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002295 tlogG= -0.049395 logG= -0.051690 Density= 0.381744 ETOT(band)= -0.275794 trlgG= -0.345572 logG= -0.051690 TDE= -0.399034 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002459 tlogG= -0.045033 logG= -0.047493 Density= 0.397845 ETOT(band)= -0.260514 trlgG= -0.326844 logG= -0.047493 TDE= -0.397580 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002344 tlogG= -0.047626 logG= -0.049970 Density= 0.573671 ETOT(band)= -0.410229 trlgG= -0.514304 logG= -0.049970 TDE= -0.398597 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002307 tlogG= -0.049435 logG= -0.051741 Density= 0.572782 ETOT(band)= -0.413454 trlgG= -0.518280 logG= -0.051741 TDE= -0.399000 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003029 tlogG= -0.042135 logG= -0.045164 Density= 0.620353 ETOT(band)= -0.371690 trlgG= -0.465337 logG= -0.045164 TDE= -0.395943 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001154 tlogG= -0.024629 logG= -0.025784 Density= 0.429660 ETOT(band)= -0.309822 trlgG= -0.388287 logG= -0.025784 TDE= -0.199494 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001428 tlogG= -0.022948 logG= -0.024375 Density= 0.442406 ETOT(band)= -0.298047 trlgG= -0.373284 logG= -0.024375 TDE= -0.198811 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002350 tlogG= -0.048344 logG= -0.050694 Density= 0.860078 ETOT(band)= -0.616157 trlgG= -0.772380 logG= -0.050694 TDE= -0.398667 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.006597 tlogG= -0.082503 logG= -0.089101 logGD-logG0= -0.002326 tlogG= -0.048748 logG= -0.051074 Density= 0.573176 ETOT(band)= -0.412000 trlgG= -0.516569 logG= -0.051074 TDE= -0.398837 Density= 0.933463 ETOT(band)= -0.555011 trlgG= -0.694323 logG= -0.089101 TDE= -0.791121 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002342 tlogG= -0.048533 logG= -0.050875 Density= 0.859994 ETOT(band)= -0.616800 trlgG= -0.773316 logG= -0.050875 TDE= -0.398776 logGD-logG0= -0.002476 tlogG= -0.044873 logG= -0.047349 Density= 0.590353 ETOT(band)= -0.396803 trlgG= -0.497620 logG= -0.047349 TDE= -0.397397 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002324 tlogG= -0.049209 logG= -0.051533 Density= 0.572992 ETOT(band)= -0.412603 trlgG= -0.517503 logG= -0.051533 TDE= -0.398965 logGD-logG0= -0.000574 tlogG= -0.012378 logG= -0.012952 Density= 0.357843 ETOT(band)= -0.258707 trlgG= -0.324285 logG= -0.012952 TDE= -0.099787 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003000 tlogG= -0.042406 logG= -0.045407 logGD-logG0= -0.002709 tlogG= -0.044640 logG= -0.047349 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.598999 ETOT(band)= -0.388478 trlgG= -0.486691 logG= -0.047349 TDE= -0.397252 Density= 0.604589 ETOT(band)= -0.386138 trlgG= -0.484145 logG= -0.045407 TDE= -0.396194 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002428 tlogG= -0.045290 logG= -0.047718 Density= 0.587586 ETOT(band)= -0.399028 trlgG= -0.500523 logG= -0.047718 TDE= -0.397649 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002298 tlogG= -0.049450 logG= -0.051748 Density= 0.572641 ETOT(band)= -0.413726 trlgG= -0.518503 logG= -0.051748 TDE= -0.399065 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002883 tlogG= -0.044845 logG= -0.047728 Density= 0.590931 ETOT(band)= -0.394100 trlgG= -0.492864 logG= -0.047728 TDE= -0.397185 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005162 tlogG= -0.093465 logG= -0.098627 Density= 1.177010 ETOT(band)= -0.797909 trlgG= -1.000570 logG= -0.098627 TDE= -0.796213 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004674 tlogG= -0.097459 logG= -0.102133 Density= 0.859799 ETOT(band)= -0.617242 trlgG= -0.773872 logG= -0.102133 TDE= -0.797522 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005517 tlogG= -0.092108 logG= -0.097624 Density= 1.178028 ETOT(band)= -0.795446 trlgG= -0.996307 logG= -0.097624 TDE= -0.795521 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004642 tlogG= -0.097220 logG= -0.101862 Density= 0.860088 ETOT(band)= -0.616949 trlgG= -0.773416 logG= -0.101862 TDE= -0.797652 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004603 tlogG= -0.098690 logG= -0.103292 Density= 0.859173 ETOT(band)= -0.620033 trlgG= -0.776821 logG= -0.103292 TDE= -0.797894 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002386 tlogG= -0.047680 logG= -0.050067 Density= 0.871209 ETOT(band)= -0.607769 trlgG= -0.762371 logG= -0.050067 TDE= -0.398471 logGD-logG0= -0.002334 tlogG= -0.048142 logG= -0.050476 logGD-logG0= -0.004664 tlogG= -0.097319 logG= -0.101984 Density= 1.146705 ETOT(band)= -0.822606 trlgG= -1.031354 logG= -0.101984 TDE= -0.797681 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.573755 ETOT(band)= -0.409920 trlgG= -0.513900 logG= -0.050476 TDE= -0.398753 38) Finished k-point 78 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004697 tlogG= -0.096277 logG= -0.100974 Density= 1.147554 ETOT(band)= -0.820037 trlgG= -1.028039 logG= -0.100974 TDE= -0.797461 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002406 tlogG= -0.046993 logG= -0.049399 Density= 0.586050 ETOT(band)= -0.400352 trlgG= -0.502319 logG= -0.049399 TDE= -0.398347 logGD-logG0= -0.005235 tlogG= -0.090013 logG= -0.095248 Density= 1.192154 ETOT(band)= -0.781523 trlgG= -0.979217 logG= -0.095248 TDE= -0.794834 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005026 tlogG= -0.094120 logG= -0.099147 Density= 1.176499 ETOT(band)= -0.799239 trlgG= -1.002820 logG= -0.099147 TDE= -0.796587 logGD-logG0= -0.004796 tlogG= -0.093765 logG= -0.098561 Density= 1.165968 ETOT(band)= -0.803745 trlgG= -1.007610 logG= -0.098561 TDE= -0.796411 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005605 tlogG= -0.088313 logG= -0.093918 Density= 1.202968 ETOT(band)= -0.772455 trlgG= -0.967118 logG= -0.093918 TDE= -0.793925 logGD-logG0= -0.004716 tlogG= -0.095332 logG= -0.100049 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.860646 ETOT(band)= -0.613630 trlgG= -0.768841 logG= -0.100049 TDE= -0.796946 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004718 tlogG= -0.093756 logG= -0.098475 Density= 0.862588 ETOT(band)= -0.610230 trlgG= -0.764567 logG= -0.098475 TDE= -0.796694 logGD-logG0= -0.002875 tlogG= -0.042981 logG= -0.045856 Density= 0.457015 ETOT(band)= -0.287163 trlgG= -0.360437 logG= -0.045856 TDE= -0.396541 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.004622 tlogG= -0.098484 logG= -0.103107 Density= 0.859407 ETOT(band)= -0.619397 trlgG= -0.776335 logG= -0.103107 TDE= -0.797887 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002670 tlogG= -0.046446 logG= -0.049116 Density= 0.588774 ETOT(band)= -0.398442 trlgG= -0.499435 logG= -0.049116 TDE= -0.397991 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004699 tlogG= -0.095797 logG= -0.100496 Density= 0.860566 ETOT(band)= -0.614392 trlgG= -0.770048 logG= -0.100496 TDE= -0.797214 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002366 tlogG= -0.047933 logG= -0.050298 logGD-logG0= -0.002329 tlogG= -0.049094 logG= -0.051423 Density= 0.573036 ETOT(band)= -0.412275 trlgG= -0.517071 logG= -0.051423 TDE= -0.398893 Density= 0.863591 ETOT(band)= -0.613010 trlgG= -0.768620 logG= -0.050298 TDE= -0.398614 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 28 logGD-logG0= -0.004662 tlogG= -0.097755 logG= -0.102418 Density= 0.859739 ETOT(band)= -0.617795 trlgG= -0.774651 logG= -0.102418 TDE= -0.797703 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005098 tlogG= -0.090856 logG= -0.095954 Density= 1.186960 ETOT(band)= -0.786024 trlgG= -0.985329 logG= -0.095954 TDE= -0.795347 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.004747 tlogG= -0.094349 logG= -0.099096 Density= 1.155381 ETOT(band)= -0.811150 trlgG= -1.016606 logG= -0.099096 TDE= -0.796746 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Sum of eigenvalues= -385.901209531216 eV TrLogG= -483.419048080336 eV Ratio to renormalize= 1.000750384875 rho-rho_expected=-0.030742711005 nargs= 1 argi=dmft2.def 49) Finished k-point number 99 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 14) Finished k-point number 29 1 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 20) Finished k-point number 41 1 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 3) Finished k-point number 7 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 13) Finished k-point number 27 1 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 50) Finished k-point number 101 1 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 12) Finished k-point number 25 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 53) Finished k-point number 108 2 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 54) Finished k-point number 110 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 40) Finished k-point number 81 1 with #bands= 19 51) Finished k-point number 104 2 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 44) Finished k-point number 90 2 with #bands= 19 32) Finished k-point number 65 1 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 16) Finished k-point number 33 1 with #bands= 19 32) Finished k-point number 66 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 52) Finished k-point number 106 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 31) Finished k-point number 63 1 with #bands= 19 5) Finished k-point number 11 1 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 5) Finished k-point number 12 2 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 4) Finished k-point number 9 1 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 4) Finished k-point number 10 2 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.862492582033024 0.869734364453526 0.847606606572057 58) Finished k-point number 117 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 55) Finished k-point number 111 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 39) Finished k-point number 79 1 with #bands= 19 37) Finished k-point number 75 1 with #bands= 19 17) Finished k-point number 35 1 with #bands= 19 30) Finished k-point number 61 1 with #bands= 19 16) Finished k-point number 33 1 with #bands= 19 3) Finished k-point number 7 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 19) Finished k-point number 39 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 9) Finished k-point number 19 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 42) Finished k-point number 86 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 49) Finished k-point number 100 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 30) Finished k-point number 62 2 with #bands= 19 9) Finished k-point number 20 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 19) Finished k-point number 40 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 20) Finished k-point number 42 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 40) Finished k-point number 82 2 with #bands= 19 16) Finished k-point number 34 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 7) Finished k-point number 16 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 37) Finished k-point number 76 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 23) Finished k-point number 48 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 9.10026396184123 Density= 40.7843699140177 41.0000000000000 EF 9.37237779395481 Density= 41.1721579278754 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.68885712 0.66885712 0.172158 -0.215630 1 0.67997815 0.68885712 -0.287993E-03 0.172158 2 0.67999298 0.68885712 -0.832038E-04 0.172158 3 0.67999900 0.68885712 -0.274252E-07 0.172158 4 0.67999900 0.68885712 -0.262901E-11 0.172158 Absolute convergence of |F(X)|. Difference in EF too large to mix 0.151592995328777 cutoff= 2.9999999E-02 Difference in EF= 0.1515929953 EF set to : 9.2518569572 new EF (no-mixing): 9.2518569572 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.000813 tlogG= -0.016913 logG= -0.017726 Density= 0.095597 ETOT(band)= -0.068848 trlgG= -0.086822 logG= -0.017726 TDE= -0.134102 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000820 tlogG= -0.016895 logG= -0.017714 Density= 0.095667 ETOT(band)= -0.068764 trlgG= -0.086756 logG= -0.017714 TDE= -0.134095 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000619 tlogG= -0.012725 logG= -0.013344 Density= 0.071761 ETOT(band)= -0.051586 trlgG= -0.065196 logG= -0.013344 TDE= -0.100650 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001314 tlogG= -0.013307 logG= -0.014621 Density= 0.112537 ETOT(band)= -0.055050 trlgG= -0.070690 logG= -0.014621 TDE= -0.132594 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002480 tlogG= -0.050718 logG= -0.053199 Density= 0.287109 ETOT(band)= -0.206139 trlgG= -0.260531 logG= -0.053199 TDE= -0.402566 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001133 tlogG= -0.014036 logG= -0.015169 Density= 0.102672 ETOT(band)= -0.062220 trlgG= -0.078349 logG= -0.015169 TDE= -0.132997 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002493 tlogG= -0.050586 logG= -0.053079 Density= 0.287166 ETOT(band)= -0.205878 trlgG= -0.260311 logG= -0.053079 TDE= -0.402504 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002504 tlogG= -0.050175 logG= -0.052679 logGD-logG0= -0.002526 tlogG= -0.049687 logG= -0.052213 Density= 0.287494 ETOT(band)= -0.204981 trlgG= -0.259192 logG= -0.052213 TDE= -0.402474 Density= 0.287305 ETOT(band)= -0.205536 trlgG= -0.259873 logG= -0.052679 TDE= -0.402561 37) Finished k-point 75 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000906 tlogG= -0.015108 logG= -0.016014 Density= 0.099595 ETOT(band)= -0.064797 trlgG= -0.081873 logG= -0.016014 TDE= -0.133583 logGD-logG0= -0.002505 tlogG= -0.050246 logG= -0.052751 Density= 0.287260 ETOT(band)= -0.205535 trlgG= -0.259878 logG= -0.052751 TDE= -0.402464 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000609 tlogG= -0.012673 logG= -0.013282 Density= 0.071686 ETOT(band)= -0.051637 trlgG= -0.065108 logG= -0.013282 TDE= -0.100573 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 25 logGD-logG0= -0.004980 tlogG= -0.100895 logG= -0.105874 Density= 0.574408 ETOT(band)= -0.411677 trlgG= -0.520403 logG= -0.105874 TDE= -0.805126 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.003558 tlogG= -0.041371 logG= -0.044929 Density= 0.308717 ETOT(band)= -0.185679 trlgG= -0.233552 logG= -0.044929 TDE= -0.398550 logGD-logG0= -0.003391 tlogG= -0.042061 logG= -0.045453 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 Density= 0.321852 ETOT(band)= -0.177196 trlgG= -0.225529 logG= -0.045453 TDE= -0.398936 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002498 tlogG= -0.050384 logG= -0.052882 Density= 0.287229 ETOT(band)= -0.205713 trlgG= -0.260100 logG= -0.052882 TDE= -0.402533 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002453 tlogG= -0.050850 logG= -0.053303 Density= 0.286911 ETOT(band)= -0.206507 trlgG= -0.260556 logG= -0.053303 TDE= -0.402352 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002872 tlogG= -0.044703 logG= -0.047575 Density= 0.296661 ETOT(band)= -0.195244 trlgG= -0.246194 logG= -0.047575 TDE= -0.400348 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002823 tlogG= -0.047694 logG= -0.050517 Density= 0.293787 ETOT(band)= -0.199735 trlgG= -0.252304 logG= -0.050517 TDE= -0.401562 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002444 tlogG= -0.050785 logG= -0.053229 Density= 0.286829 ETOT(band)= -0.206545 trlgG= -0.260507 logG= -0.053229 TDE= -0.402321 logGD-logG0= -0.002921 tlogG= -0.047104 logG= -0.050025 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.308087 ETOT(band)= -0.189596 trlgG= -0.241830 logG= -0.050025 TDE= -0.401304 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002779 tlogG= -0.047120 logG= -0.049898 Density= 0.293907 ETOT(band)= -0.199086 trlgG= -0.251454 logG= -0.049898 TDE= -0.401412 20) Finished k-point 41 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002620 tlogG= -0.048663 logG= -0.051283 Density= 0.292660 ETOT(band)= -0.201079 trlgG= -0.254345 logG= -0.051283 TDE= -0.402071 logGD-logG0= -0.001225 tlogG= -0.025394 logG= -0.026620 Density= 0.143448 ETOT(band)= -0.103241 trlgG= -0.130226 logG= -0.026620 TDE= -0.201151 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002675 tlogG= -0.048345 logG= -0.051020 Density= 0.293338 ETOT(band)= -0.200441 trlgG= -0.253440 logG= -0.051020 TDE= -0.401890 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002993 tlogG= -0.045123 logG= -0.048117 Density= 0.308701 ETOT(band)= -0.187465 trlgG= -0.238641 logG= -0.048117 TDE= -0.400440 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002475 tlogG= -0.050541 logG= -0.053017 Density= 0.287126 ETOT(band)= -0.206044 trlgG= -0.260249 logG= -0.053017 TDE= -0.402477 logGD-logG0= -0.002585 tlogG= -0.047355 logG= -0.049940 Density= 0.288406 ETOT(band)= -0.202293 trlgG= -0.255527 logG= -0.049940 TDE= -0.401702 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002563 tlogG= -0.048281 logG= -0.050844 Density= 0.287836 ETOT(band)= -0.203464 trlgG= -0.257038 logG= -0.050844 TDE= -0.401921 logGD-logG0= -0.005713 tlogG= -0.093390 logG= -0.099103 Density= 0.588195 ETOT(band)= -0.397316 trlgG= -0.501452 logG= -0.099103 TDE= -0.802321 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002475 tlogG= -0.050697 logG= -0.053172 Density= 0.287080 ETOT(band)= -0.206196 trlgG= -0.260468 logG= -0.053172 TDE= -0.402510 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005405 tlogG= -0.094866 logG= -0.100271 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.587304 ETOT(band)= -0.398875 trlgG= -0.503994 logG= -0.100271 TDE= -0.803089 logGD-logG0= -0.002559 tlogG= -0.048953 logG= -0.051512 logGD-logG0= -0.002533 tlogG= -0.048886 logG= -0.051419 Density= 0.288614 ETOT(band)= -0.203650 trlgG= -0.257493 logG= -0.051512 TDE= -0.402239 Density= 0.287757 ETOT(band)= -0.204088 trlgG= -0.258030 logG= -0.051419 TDE= -0.402286 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005454 tlogG= -0.091239 logG= -0.096694 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.589942 ETOT(band)= -0.393908 trlgG= -0.497226 logG= -0.096694 TDE= -0.801692 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002512 tlogG= -0.049485 logG= -0.051997 Density= 0.287547 ETOT(band)= -0.204772 trlgG= -0.258909 logG= -0.051997 TDE= -0.402444 22) Finished k-point 45 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002461 tlogG= -0.050766 logG= -0.053226 Density= 0.286985 ETOT(band)= -0.206367 trlgG= -0.260456 logG= -0.053226 TDE= -0.402379 logGD-logG0= -0.005120 tlogG= -0.097705 logG= -0.102825 Density= 0.576412 ETOT(band)= -0.407536 trlgG= -0.515081 logG= -0.102825 TDE= -0.804215 logGD-logG0= -0.005163 tlogG= -0.095407 logG= -0.100570 Density= 0.576738 ETOT(band)= -0.405271 trlgG= -0.511924 logG= -0.100570 TDE= -0.803535 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002470 tlogG= -0.050549 logG= -0.053018 Density= 0.287107 ETOT(band)= -0.206071 trlgG= -0.260212 logG= -0.053018 TDE= -0.402425 logGD-logG0= -0.004982 tlogG= -0.100625 logG= -0.105607 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.574487 ETOT(band)= -0.411464 trlgG= -0.520068 logG= -0.105607 TDE= -0.805111 logGD-logG0= -0.002595 tlogG= -0.047491 logG= -0.050087 Density= 0.289872 ETOT(band)= -0.201571 trlgG= -0.254698 logG= -0.050087 TDE= -0.401724 logGD-logG0= -0.005059 tlogG= -0.099087 logG= -0.104146 Density= 0.574933 ETOT(band)= -0.409616 trlgG= -0.517834 logG= -0.104146 TDE= -0.804642 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005196 tlogG= -0.094715 logG= -0.099911 logGD-logG0= -0.002509 tlogG= -0.049935 logG= -0.052444 logGD-logG0= -0.005032 tlogG= -0.099244 logG= -0.104277 Density= 0.574966 ETOT(band)= -0.409841 trlgG= -0.518207 logG= -0.104277 TDE= -0.804907 Density= 0.287391 ETOT(band)= -0.205284 trlgG= -0.259558 logG= -0.052444 TDE= -0.402539 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.577961 ETOT(band)= -0.403922 trlgG= -0.510020 logG= -0.099911 TDE= -0.803122 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005924 tlogG= -0.088283 logG= -0.094207 Density= 0.597092 ETOT(band)= -0.387309 trlgG= -0.488197 logG= -0.094207 TDE= -0.800012 logGD-logG0= -0.002485 tlogG= -0.050362 logG= -0.052846 Density= 0.287218 ETOT(band)= -0.205794 trlgG= -0.260069 logG= -0.052846 TDE= -0.402530 logGD-logG0= -0.005292 tlogG= -0.095590 logG= -0.100882 Density= 0.586259 ETOT(band)= -0.400044 trlgG= -0.505742 logG= -0.100882 TDE= -0.803515 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005079 tlogG= -0.098026 logG= -0.103106 Density= 0.575417 ETOT(band)= -0.408465 trlgG= -0.516401 logG= -0.103106 TDE= -0.804579 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002521 tlogG= -0.049681 logG= -0.052201 Density= 0.287411 ETOT(band)= -0.204954 trlgG= -0.259109 logG= -0.052201 TDE= -0.402347 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002552 tlogG= -0.048563 logG= -0.051115 Density= 0.287793 ETOT(band)= -0.203753 trlgG= -0.257506 logG= -0.051115 TDE= -0.402090 logGD-logG0= -0.005579 tlogG= -0.090256 logG= -0.095835 Density= 0.591988 ETOT(band)= -0.391905 trlgG= -0.494375 logG= -0.095835 TDE= -0.801091 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002513 tlogG= -0.049861 logG= -0.052374 Density= 0.287381 ETOT(band)= -0.205160 trlgG= -0.259401 logG= -0.052374 TDE= -0.402446 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.005096 tlogG= -0.098228 logG= -0.103324 Density= 0.575584 ETOT(band)= -0.408524 trlgG= -0.516442 logG= -0.103324 TDE= -0.804514 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005042 tlogG= -0.099481 logG= -0.104523 Density= 0.574855 ETOT(band)= -0.410061 trlgG= -0.518472 logG= -0.104523 TDE= -0.804851 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002487 tlogG= -0.050693 logG= -0.053180 Density= 0.287135 ETOT(band)= -0.206034 trlgG= -0.260486 logG= -0.053180 TDE= -0.402558 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001374 tlogG= -0.024035 logG= -0.025409 Density= 0.146802 ETOT(band)= -0.100059 trlgG= -0.126473 logG= -0.025409 TDE= -0.200890 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000831 tlogG= -0.016645 logG= -0.017477 Density= 0.095794 ETOT(band)= -0.068434 trlgG= -0.086506 logG= -0.017477 TDE= -0.134170 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002466 tlogG= -0.050869 logG= -0.053335 Density= 0.286998 ETOT(band)= -0.206411 trlgG= -0.260679 logG= -0.053335 TDE= -0.402503 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000101 tlogG= -0.002111 logG= -0.002212 Density= 0.083633 ETOT(band)= -0.060243 trlgG= -0.075958 logG= -0.002212 TDE= -0.016762 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.001219 tlogG= -0.025361 logG= -0.026580 Density= 0.238980 ETOT(band)= -0.172124 trlgG= -0.217054 logG= -0.026580 TDE= -0.201153 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000622 tlogG= -0.012677 logG= -0.013299 Density= 0.358950 ETOT(band)= -0.257377 trlgG= -0.325428 logG= -0.013299 TDE= -0.100632 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000852 tlogG= -0.016043 logG= -0.016895 Density= 0.167772 ETOT(band)= -0.119327 trlgG= -0.150813 logG= -0.016895 TDE= -0.134010 logGD-logG0= -0.002452 tlogG= -0.050760 logG= -0.053213 Density= 0.382591 ETOT(band)= -0.275195 trlgG= -0.347131 logG= -0.053213 TDE= -0.402270 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000610 tlogG= -0.012695 logG= -0.013306 Density= 0.358530 ETOT(band)= -0.258186 trlgG= -0.325639 logG= -0.013306 TDE= -0.100583 57) Finished k-point 116 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002477 tlogG= -0.050812 logG= -0.053289 Density= 0.574185 ETOT(band)= -0.412382 trlgG= -0.521187 logG= -0.053289 TDE= -0.402579 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000613 tlogG= -0.012719 logG= -0.013332 Density= 0.358632 ETOT(band)= -0.258146 trlgG= -0.325709 logG= -0.013332 TDE= -0.100591 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002491 tlogG= -0.050577 logG= -0.053068 Density= 0.574397 ETOT(band)= -0.411627 trlgG= -0.520438 logG= -0.053068 TDE= -0.402544 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001277 tlogG= -0.024577 logG= -0.025855 Density= 0.432853 ETOT(band)= -0.305607 trlgG= -0.386416 logG= -0.025855 TDE= -0.201151 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003735 tlogG= -0.040677 logG= -0.044413 Density= 0.435501 ETOT(band)= -0.230618 trlgG= -0.293669 logG= -0.044413 TDE= -0.398181 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003120 tlogG= -0.043314 logG= -0.046434 Density= 0.409735 ETOT(band)= -0.250289 trlgG= -0.315632 logG= -0.046434 TDE= -0.399652 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002487 tlogG= -0.050563 logG= -0.053050 Density= 0.861574 ETOT(band)= -0.617644 trlgG= -0.780753 logG= -0.053050 TDE= -0.402573 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002631 tlogG= -0.046425 logG= -0.049056 Density= 0.390891 ETOT(band)= -0.264554 trlgG= -0.334128 logG= -0.049056 TDE= -0.401280 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.001253 tlogG= -0.025040 logG= -0.026293 Density= 0.431062 ETOT(band)= -0.308009 trlgG= -0.389436 logG= -0.026293 TDE= -0.201281 logGD-logG0= -0.002487 tlogG= -0.050431 logG= -0.052918 Density= 0.861687 ETOT(band)= -0.617335 trlgG= -0.780256 logG= -0.052918 TDE= -0.402566 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002533 tlogG= -0.049005 logG= -0.051538 logGD-logG0= -0.001456 tlogG= -0.023685 logG= -0.025141 Density= 0.462094 ETOT(band)= -0.284533 trlgG= -0.362954 logG= -0.025141 TDE= -0.200707 Density= 0.575187 ETOT(band)= -0.409210 trlgG= -0.517396 logG= -0.051538 TDE= -0.402297 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003066 tlogG= -0.043634 logG= -0.046700 Density= 0.633801 ETOT(band)= -0.361415 trlgG= -0.459838 logG= -0.046700 TDE= -0.399734 logGD-logG0= -0.002500 tlogG= -0.050120 logG= -0.052619 logGD-logG0= -0.002498 tlogG= -0.050462 logG= -0.052960 Density= 0.574618 ETOT(band)= -0.411010 trlgG= -0.519652 logG= -0.052619 TDE= -0.402533 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.574459 ETOT(band)= -0.411288 trlgG= -0.520033 logG= -0.052960 TDE= -0.402490 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002997 tlogG= -0.043810 logG= -0.046808 Density= 0.599430 ETOT(band)= -0.388968 trlgG= -0.491167 logG= -0.046808 TDE= -0.399892 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002544 tlogG= -0.049307 logG= -0.051851 logGD-logG0= -0.002446 tlogG= -0.050783 logG= -0.053229 Density= 0.430302 ETOT(band)= -0.309760 trlgG= -0.390699 logG= -0.053229 TDE= -0.402304 Density= 0.863310 ETOT(band)= -0.613000 trlgG= -0.774952 logG= -0.051851 TDE= -0.402313 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002525 tlogG= -0.049716 logG= -0.052241 Density= 0.862353 ETOT(band)= -0.614603 trlgG= -0.776991 logG= -0.052241 TDE= -0.402362 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000621 tlogG= -0.012700 logG= -0.013321 Density= 0.358911 ETOT(band)= -0.257570 trlgG= -0.325644 logG= -0.013321 TDE= -0.100644 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002815 tlogG= -0.046031 logG= -0.048846 Density= 0.590980 ETOT(band)= -0.393096 trlgG= -0.495854 logG= -0.048846 TDE= -0.400951 logGD-logG0= -0.001237 tlogG= -0.025314 logG= -0.026550 Density= 0.430669 ETOT(band)= -0.309119 trlgG= -0.390424 logG= -0.026550 TDE= -0.201235 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002642 tlogG= -0.046263 logG= -0.048905 Density= 0.584794 ETOT(band)= -0.399957 trlgG= -0.505252 logG= -0.048905 TDE= -0.401096 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002756 tlogG= -0.047827 logG= -0.050583 Density= 0.587586 ETOT(band)= -0.398943 trlgG= -0.504027 logG= -0.050583 TDE= -0.401691 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002616 tlogG= -0.046679 logG= -0.049296 Density= 0.582412 ETOT(band)= -0.401964 trlgG= -0.507958 logG= -0.049296 TDE= -0.401348 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002949 tlogG= -0.046326 logG= -0.049275 Density= 0.617010 ETOT(band)= -0.376239 trlgG= -0.479240 logG= -0.049275 TDE= -0.400974 logGD-logG0= -0.002517 tlogG= -0.049905 logG= -0.052422 Density= 0.862238 ETOT(band)= -0.615266 trlgG= -0.777939 logG= -0.052422 TDE= -0.402465 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002456 tlogG= -0.050816 logG= -0.053271 Density= 0.573925 ETOT(band)= -0.412819 trlgG= -0.520953 logG= -0.053271 TDE= -0.402344 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005663 tlogG= -0.094872 logG= -0.100535 Density= 1.175919 ETOT(band)= -0.796237 trlgG= -1.005255 logG= -0.100535 TDE= -0.802919 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006504 tlogG= -0.085326 logG= -0.091830 Density= 0.924110 ETOT(band)= -0.560061 trlgG= -0.705433 logG= -0.091830 TDE= -0.798517 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002469 tlogG= -0.050802 logG= -0.053270 Density= 0.574109 ETOT(band)= -0.412523 trlgG= -0.521053 logG= -0.053270 TDE= -0.402495 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004926 tlogG= -0.101424 logG= -0.106350 Density= 0.861142 ETOT(band)= -0.618654 trlgG= -0.780966 logG= -0.106350 TDE= -0.804748 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005363 tlogG= -0.096222 logG= -0.101586 Density= 1.174135 ETOT(band)= -0.799248 trlgG= -1.010147 logG= -0.101586 TDE= -0.803612 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005083 tlogG= -0.098083 logG= -0.103166 logGD-logG0= -0.002517 tlogG= -0.049518 logG= -0.052035 Density= 0.863039 ETOT(band)= -0.612025 trlgG= -0.773411 logG= -0.103166 TDE= -0.804345 Density= 0.575291 ETOT(band)= -0.408897 trlgG= -0.516995 logG= -0.052035 TDE= -0.402453 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004996 tlogG= -0.099966 logG= -0.104962 Density= 0.862278 ETOT(band)= -0.615467 trlgG= -0.778108 logG= -0.104962 TDE= -0.805053 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002556 tlogG= -0.049055 logG= -0.051611 Density= 0.864533 ETOT(band)= -0.611535 trlgG= -0.772939 logG= -0.051611 TDE= -0.402170 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002572 tlogG= -0.048373 logG= -0.050945 Density= 0.578921 ETOT(band)= -0.404434 trlgG= -0.511136 logG= -0.050945 TDE= -0.402047 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005120 tlogG= -0.097106 logG= -0.102226 logGD-logG0= -0.005116 tlogG= -0.096521 logG= -0.101636 Density= 1.152723 ETOT(band)= -0.812537 trlgG= -1.026626 logG= -0.102226 TDE= -0.804146 Density= 0.864357 ETOT(band)= -0.609053 trlgG= -0.769611 logG= -0.101636 TDE= -0.804094 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005014 tlogG= -0.100063 logG= -0.105078 Density= 1.149665 ETOT(band)= -0.820593 trlgG= -1.037558 logG= -0.105078 TDE= -0.805068 38) Finished k-point 78 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005253 tlogG= -0.096877 logG= -0.102130 Density= 1.171825 ETOT(band)= -0.801654 trlgG= -1.013673 logG= -0.102130 TDE= -0.803986 logGD-logG0= -0.004954 tlogG= -0.101222 logG= -0.106176 Density= 0.861450 ETOT(band)= -0.617978 trlgG= -0.780790 logG= -0.106176 TDE= -0.805023 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005357 tlogG= -0.093631 logG= -0.098988 Density= 1.177256 ETOT(band)= -0.791555 trlgG= -0.999587 logG= -0.098988 TDE= -0.802746 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005148 tlogG= -0.096522 logG= -0.101670 Density= 1.154893 ETOT(band)= -0.810086 trlgG= -1.023186 logG= -0.101670 TDE= -0.803810 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002892 tlogG= -0.044383 logG= -0.047274 Density= 0.451345 ETOT(band)= -0.290378 trlgG= -0.366898 logG= -0.047274 TDE= -0.400239 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005059 tlogG= -0.099026 logG= -0.104085 Density= 1.150512 ETOT(band)= -0.818041 trlgG= -1.034283 logG= -0.104085 TDE= -0.804861 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005791 tlogG= -0.091098 logG= -0.096889 Density= 1.186191 ETOT(band)= -0.782009 trlgG= -0.985821 logG= -0.096889 TDE= -0.801322 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005005 tlogG= -0.100496 logG= -0.105500 Density= 0.861914 ETOT(band)= -0.616298 trlgG= -0.779242 logG= -0.105500 TDE= -0.805022 logGD-logG0= -0.005064 tlogG= -0.098547 logG= -0.103612 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.862923 ETOT(band)= -0.612812 trlgG= -0.774643 logG= -0.103612 TDE= -0.804614 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005018 tlogG= -0.100200 logG= -0.105217 Density= 0.862006 ETOT(band)= -0.615725 trlgG= -0.778473 logG= -0.105217 TDE= -0.804871 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005473 tlogG= -0.092789 logG= -0.098262 Density= 1.180109 ETOT(band)= -0.788414 trlgG= -0.994948 logG= -0.098262 TDE= -0.802232 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002482 tlogG= -0.050302 logG= -0.052784 Density= 0.383026 ETOT(band)= -0.274180 trlgG= -0.346480 logG= -0.052784 TDE= -0.402507 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000616 tlogG= -0.012731 logG= -0.013347 Density= 0.358740 ETOT(band)= -0.258031 trlgG= -0.325867 logG= -0.013347 TDE= -0.100625 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Sum of eigenvalues= -385.664873395658 eV TrLogG= -487.105924310511 eV Ratio to renormalize= 1.000794175086 rho-rho_expected=-0.032535339776 nargs= 1 argi=dmft2.def 59) Finished k-point number 119 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 57) Finished k-point number 115 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 55) Finished k-point number 111 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 54) Finished k-point number 109 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 55) Finished k-point number 112 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 31) Finished k-point number 64 2 with #bands= 19 53) Finished k-point number 108 2 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 20) Finished k-point number 42 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 39) Finished k-point number 80 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 46) Finished k-point number 93 1 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 46) Finished k-point number 94 2 with #bands= 19 12) Finished k-point number 26 2 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 36) Finished k-point number 73 1 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 6) Finished k-point number 13 1 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 25) Finished k-point number 51 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 25) Finished k-point number 52 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 40) Finished k-point number 81 1 with #bands= 19 38) Finished k-point number 78 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 52) Finished k-point number 106 2 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 32) Finished k-point number 66 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 42) Finished k-point number 86 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.862172621755704 0.869429517797147 0.847250955380672 58) Finished k-point number 117 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 32) Finished k-point number 65 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 39) Finished k-point number 79 1 with #bands= 19 17) Finished k-point number 35 1 with #bands= 19 30) Finished k-point number 61 1 with #bands= 19 4) Finished k-point number 9 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 7) Finished k-point number 15 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 31) Finished k-point number 63 1 with #bands= 19 19) Finished k-point number 39 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 43) Finished k-point number 87 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 18) Finished k-point number 38 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 58) Finished k-point number 118 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 32) Finished k-point number 66 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 41) Finished k-point number 84 2 with #bands= 19 34) Finished k-point number 70 2 with #bands= 19 50) Finished k-point number 102 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 55) Finished k-point number 112 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 28) Finished k-point number 58 2 with #bands= 19 57) Finished k-point number 116 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 25) Finished k-point number 52 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 3) Finished k-point number 8 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 9.25185695717001 Density= 40.9744438950327 41.0000000000000 EF 9.52397078928359 Density= 41.4374768704186 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.69999900 0.67999900 0.437477 -0.255561E-01 1 0.68999900 0.67999902 0.146997 -0.255561E-01 2 0.68499901 0.67999925 0.471607E-01 -0.255561E-01 3 0.68249913 0.67999890 0.100259E-01 -0.255561E-01 4 0.68180500 0.67999890 0.242632E-03 -0.255561E-01 5 0.68178785 0.67999890 0.210223E-05 -0.255561E-01 6 0.68178770 0.67999890 0.440885E-09 -0.255561E-01 7 0.68178770 0.68178770 -0.961549E-09 0.440885E-09 8 0.68178770 0.68178770 -0.961549E-09 0.440885E-09 Absolute convergence of the X interval. Difference in EF= 0.0243364250 EF set to : 9.2761933822 new EF (no-mixing): 9.2761933822 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.000618 tlogG= -0.012779 logG= -0.013397 Density= 0.071763 ETOT(band)= -0.051554 trlgG= -0.065217 logG= -0.013397 TDE= -0.100747 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000813 tlogG= -0.016983 logG= -0.017796 Density= 0.095599 ETOT(band)= -0.068805 trlgG= -0.086847 logG= -0.017796 TDE= -0.134229 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001313 tlogG= -0.013382 logG= -0.014695 Density= 0.112512 ETOT(band)= -0.055000 trlgG= -0.070713 logG= -0.014695 TDE= -0.132727 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002501 tlogG= -0.050390 logG= -0.052891 Density= 0.287311 ETOT(band)= -0.205410 trlgG= -0.259957 logG= -0.052891 TDE= -0.402951 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001132 tlogG= -0.014112 logG= -0.015244 Density= 0.102672 ETOT(band)= -0.062172 trlgG= -0.078376 logG= -0.015244 TDE= -0.133132 logGD-logG0= -0.000819 tlogG= -0.016966 logG= -0.017784 Density= 0.095669 ETOT(band)= -0.068722 trlgG= -0.086783 logG= -0.017784 TDE= -0.134224 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002496 tlogG= -0.050599 logG= -0.053095 Density= 0.287235 ETOT(band)= -0.205588 trlgG= -0.260186 logG= -0.053095 TDE= -0.402924 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.000905 tlogG= -0.015182 logG= -0.016087 Density= 0.099600 ETOT(band)= -0.064749 trlgG= -0.081897 logG= -0.016087 TDE= -0.133716 logGD-logG0= -0.002491 tlogG= -0.050802 logG= -0.053293 Density= 0.287172 ETOT(band)= -0.205753 trlgG= -0.260398 logG= -0.053293 TDE= -0.402896 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000831 tlogG= -0.016716 logG= -0.017547 Density= 0.095796 ETOT(band)= -0.068392 trlgG= -0.086534 logG= -0.017547 TDE= -0.134300 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002524 tlogG= -0.049903 logG= -0.052427 logGD-logG0= -0.000608 tlogG= -0.012725 logG= -0.013334 Density= 0.071687 ETOT(band)= -0.051604 trlgG= -0.065127 logG= -0.013334 TDE= -0.100668 Density= 0.287501 ETOT(band)= -0.204855 trlgG= -0.259278 logG= -0.052427 TDE= -0.402866 logGD-logG0= -0.002503 tlogG= -0.050462 logG= -0.052965 Density= 0.287266 ETOT(band)= -0.205411 trlgG= -0.259966 logG= -0.052965 TDE= -0.402856 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 25 37) Finished k-point 75 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.004975 tlogG= -0.101323 logG= -0.106298 Density= 0.574420 ETOT(band)= -0.411424 trlgG= -0.520570 logG= -0.106298 TDE= -0.805905 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.003556 tlogG= -0.041602 logG= -0.045157 Density= 0.308672 ETOT(band)= -0.185568 trlgG= -0.233666 logG= -0.045157 TDE= -0.398957 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.003389 tlogG= -0.042286 logG= -0.045675 Density= 0.321795 ETOT(band)= -0.177063 trlgG= -0.225616 logG= -0.045675 TDE= -0.399337 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001224 tlogG= -0.025500 logG= -0.026724 Density= 0.143451 ETOT(band)= -0.103177 trlgG= -0.130264 logG= -0.026724 TDE= -0.201342 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002820 tlogG= -0.047916 logG= -0.050736 Density= 0.293790 ETOT(band)= -0.199606 trlgG= -0.252394 logG= -0.050736 TDE= -0.401960 logGD-logG0= -0.002473 tlogG= -0.050754 logG= -0.053227 Density= 0.287131 ETOT(band)= -0.205916 trlgG= -0.260330 logG= -0.053227 TDE= -0.402865 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002870 tlogG= -0.044927 logG= -0.047796 Density= 0.296677 ETOT(band)= -0.195105 trlgG= -0.246274 logG= -0.047796 TDE= -0.400749 logGD-logG0= -0.002459 tlogG= -0.050978 logG= -0.053436 Density= 0.286990 ETOT(band)= -0.206239 trlgG= -0.260535 logG= -0.053436 TDE= -0.402765 logGD-logG0= -0.002442 tlogG= -0.050996 logG= -0.053438 Density= 0.286834 ETOT(band)= -0.206416 trlgG= -0.260582 logG= -0.053438 TDE= -0.402704 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001372 tlogG= -0.024145 logG= -0.025518 Density= 0.146804 ETOT(band)= -0.099993 trlgG= -0.126517 logG= -0.025518 TDE= -0.201088 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002776 tlogG= -0.047341 logG= -0.050116 Density= 0.293911 ETOT(band)= -0.198955 trlgG= -0.251541 logG= -0.050116 TDE= -0.401810 logGD-logG0= -0.002917 tlogG= -0.047322 logG= -0.050239 Density= 0.308039 ETOT(band)= -0.189471 trlgG= -0.241921 logG= -0.050239 TDE= -0.401699 20) Finished k-point 41 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002478 tlogG= -0.050932 logG= -0.053410 Density= 0.287116 ETOT(band)= -0.206013 trlgG= -0.260613 logG= -0.053410 TDE= -0.402955 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002990 tlogG= -0.045343 logG= -0.048333 Density= 0.308661 ETOT(band)= -0.187337 trlgG= -0.238730 logG= -0.048333 TDE= -0.400837 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002451 tlogG= -0.051062 logG= -0.053513 Density= 0.286917 ETOT(band)= -0.206379 trlgG= -0.260633 logG= -0.053513 TDE= -0.402737 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002583 tlogG= -0.047574 logG= -0.050157 Density= 0.288411 ETOT(band)= -0.202170 trlgG= -0.255619 logG= -0.050157 TDE= -0.402097 logGD-logG0= -0.005706 tlogG= -0.093836 logG= -0.099542 Density= 0.588200 ETOT(band)= -0.397059 trlgG= -0.501634 logG= -0.099542 TDE= -0.803120 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002485 tlogG= -0.050908 logG= -0.053393 Density= 0.287141 ETOT(band)= -0.205909 trlgG= -0.260572 logG= -0.053393 TDE= -0.402948 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002464 tlogG= -0.051081 logG= -0.053545 Density= 0.287004 ETOT(band)= -0.206283 trlgG= -0.260760 logG= -0.053545 TDE= -0.402890 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002510 tlogG= -0.049700 logG= -0.052210 Density= 0.287553 ETOT(band)= -0.204646 trlgG= -0.258995 logG= -0.052210 TDE= -0.402835 logGD-logG0= -0.002561 tlogG= -0.048500 logG= -0.051061 Density= 0.287844 ETOT(band)= -0.203340 trlgG= -0.257130 logG= -0.051061 TDE= -0.402317 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002550 tlogG= -0.048781 logG= -0.051331 Density= 0.287800 ETOT(band)= -0.203629 trlgG= -0.257596 logG= -0.051331 TDE= -0.402484 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005158 tlogG= -0.095845 logG= -0.101003 logGD-logG0= -0.005399 tlogG= -0.095308 logG= -0.100707 Density= 0.587309 ETOT(band)= -0.398616 trlgG= -0.504171 logG= -0.100707 TDE= -0.803884 Density= 0.576751 ETOT(band)= -0.405024 trlgG= -0.512107 logG= -0.101003 TDE= -0.804326 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002518 tlogG= -0.049898 logG= -0.052416 Density= 0.287418 ETOT(band)= -0.204829 trlgG= -0.259198 logG= -0.052416 TDE= -0.402740 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002556 tlogG= -0.049170 logG= -0.051727 Density= 0.288613 ETOT(band)= -0.203529 trlgG= -0.257586 logG= -0.051727 TDE= -0.402632 logGD-logG0= -0.002468 tlogG= -0.050761 logG= -0.053229 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.287112 ETOT(band)= -0.205944 trlgG= -0.260292 logG= -0.053229 TDE= -0.402813 logGD-logG0= -0.005449 tlogG= -0.091683 logG= -0.097133 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.589958 ETOT(band)= -0.393643 trlgG= -0.497396 logG= -0.097133 TDE= -0.802489 22) Finished k-point 45 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.004977 tlogG= -0.101053 logG= -0.106030 logGD-logG0= -0.002507 tlogG= -0.050149 logG= -0.052656 Density= 0.287398 ETOT(band)= -0.205158 trlgG= -0.259642 logG= -0.052656 TDE= -0.402930 Density= 0.574499 ETOT(band)= -0.411210 trlgG= -0.520234 logG= -0.106030 TDE= -0.805890 logGD-logG0= -0.002672 tlogG= -0.048565 logG= -0.051237 Density= 0.293340 ETOT(band)= -0.200312 trlgG= -0.253528 logG= -0.051237 TDE= -0.402287 logGD-logG0= -0.005191 tlogG= -0.095156 logG= -0.100347 Density= 0.577979 ETOT(band)= -0.403672 trlgG= -0.510204 logG= -0.100347 TDE= -0.803916 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002482 tlogG= -0.050575 logG= -0.053057 Density= 0.287223 ETOT(band)= -0.205668 trlgG= -0.260151 logG= -0.053057 TDE= -0.402919 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005091 tlogG= -0.098663 logG= -0.103754 logGD-logG0= -0.002617 tlogG= -0.048881 logG= -0.051498 Density= 0.292653 ETOT(band)= -0.200954 trlgG= -0.254437 logG= -0.051498 TDE= -0.402466 logGD-logG0= -0.005286 tlogG= -0.096029 logG= -0.101315 Density= 0.586254 ETOT(band)= -0.399790 trlgG= -0.505921 logG= -0.101315 TDE= -0.804307 Density= 0.575597 ETOT(band)= -0.408275 trlgG= -0.516620 logG= -0.103754 TDE= -0.805301 logGD-logG0= -0.002593 tlogG= -0.047710 logG= -0.050303 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.289868 ETOT(band)= -0.201450 trlgG= -0.254793 logG= -0.050303 TDE= -0.402119 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005054 tlogG= -0.099522 logG= -0.104576 logGD-logG0= -0.005574 tlogG= -0.090703 logG= -0.096277 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.592022 ETOT(band)= -0.391629 trlgG= -0.494536 logG= -0.096277 TDE= -0.801892 Density= 0.574947 ETOT(band)= -0.409367 trlgG= -0.518013 logG= -0.104576 TDE= -0.805429 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005028 tlogG= -0.099675 logG= -0.104703 logGD-logG0= -0.002472 tlogG= -0.050910 logG= -0.053383 Density= 0.574978 ETOT(band)= -0.409590 trlgG= -0.518379 logG= -0.104703 TDE= -0.805689 Density= 0.287086 ETOT(band)= -0.206069 trlgG= -0.260549 logG= -0.053383 TDE= -0.402898 logGD-logG0= -0.005037 tlogG= -0.099913 logG= -0.104951 logGD-logG0= -0.005074 tlogG= -0.098459 logG= -0.103533 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.574869 ETOT(band)= -0.409810 trlgG= -0.518647 logG= -0.104951 TDE= -0.805635 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.575430 ETOT(band)= -0.408215 trlgG= -0.516576 logG= -0.103533 TDE= -0.805364 logGD-logG0= -0.002511 tlogG= -0.050077 logG= -0.052588 Density= 0.287387 ETOT(band)= -0.205035 trlgG= -0.259489 logG= -0.052588 TDE= -0.402838 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005918 tlogG= -0.088735 logG= -0.094653 Density= 0.597034 ETOT(band)= -0.387089 trlgG= -0.488419 logG= -0.094653 TDE= -0.800817 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005115 tlogG= -0.098142 logG= -0.103257 Density= 0.576423 ETOT(band)= -0.407289 trlgG= -0.515265 logG= -0.103257 TDE= -0.805006 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002531 tlogG= -0.049102 logG= -0.051633 Density= 0.287763 ETOT(band)= -0.203963 trlgG= -0.258117 logG= -0.051633 TDE= -0.402678 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000101 tlogG= -0.002119 logG= -0.002221 Density= 0.083634 ETOT(band)= -0.060205 trlgG= -0.075980 logG= -0.002221 TDE= -0.016777 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.000622 tlogG= -0.012731 logG= -0.013352 Density= 0.358958 ETOT(band)= -0.257222 trlgG= -0.325538 logG= -0.013352 TDE= -0.100730 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000851 tlogG= -0.016115 logG= -0.016967 Density= 0.167775 ETOT(band)= -0.119254 trlgG= -0.150864 logG= -0.016967 TDE= -0.134141 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001218 tlogG= -0.025466 logG= -0.026684 Density= 0.238985 ETOT(band)= -0.172017 trlgG= -0.217116 logG= -0.026684 TDE= -0.201344 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002489 tlogG= -0.050792 logG= -0.053281 Density= 0.574410 ETOT(band)= -0.411377 trlgG= -0.520610 logG= -0.053281 TDE= -0.402935 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000610 tlogG= -0.012748 logG= -0.013358 Density= 0.358536 ETOT(band)= -0.258025 trlgG= -0.325733 logG= -0.013358 TDE= -0.100679 57) Finished k-point 116 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003733 tlogG= -0.040905 logG= -0.044638 Density= 0.435435 ETOT(band)= -0.230424 trlgG= -0.293771 logG= -0.044638 TDE= -0.398585 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002480 tlogG= -0.050515 logG= -0.052995 Density= 0.383034 ETOT(band)= -0.274011 trlgG= -0.346590 logG= -0.052995 TDE= -0.402896 logGD-logG0= -0.002450 tlogG= -0.050972 logG= -0.053422 Density= 0.382598 ETOT(band)= -0.275025 trlgG= -0.347234 logG= -0.053422 TDE= -0.402654 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002485 tlogG= -0.050777 logG= -0.053262 Density= 0.861593 ETOT(band)= -0.617266 trlgG= -0.781004 logG= -0.053262 TDE= -0.402962 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003118 tlogG= -0.043540 logG= -0.046658 Density= 0.409733 ETOT(band)= -0.250099 trlgG= -0.315738 logG= -0.046658 TDE= -0.400054 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000620 tlogG= -0.012754 logG= -0.013374 Density= 0.358918 ETOT(band)= -0.257414 trlgG= -0.325751 logG= -0.013374 TDE= -0.100741 logGD-logG0= -0.001276 tlogG= -0.024686 logG= -0.025962 Density= 0.432851 ETOT(band)= -0.305425 trlgG= -0.386555 logG= -0.025962 TDE= -0.201347 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001252 tlogG= -0.025147 logG= -0.026399 Density= 0.431072 ETOT(band)= -0.307819 trlgG= -0.389562 logG= -0.026399 TDE= -0.201476 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002444 tlogG= -0.050994 logG= -0.053438 Density= 0.430311 ETOT(band)= -0.309567 trlgG= -0.390812 logG= -0.053438 TDE= -0.402687 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000615 tlogG= -0.012784 logG= -0.013399 Density= 0.358747 ETOT(band)= -0.257872 trlgG= -0.325967 logG= -0.013399 TDE= -0.100722 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000612 tlogG= -0.012772 logG= -0.013384 Density= 0.358639 ETOT(band)= -0.257986 trlgG= -0.325805 logG= -0.013384 TDE= -0.100687 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002629 tlogG= -0.046645 logG= -0.049274 Density= 0.390892 ETOT(band)= -0.264385 trlgG= -0.334248 logG= -0.049274 TDE= -0.401676 logGD-logG0= -0.001235 tlogG= -0.025420 logG= -0.026655 Density= 0.430678 ETOT(band)= -0.308928 trlgG= -0.390545 logG= -0.026655 TDE= -0.201428 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002454 tlogG= -0.051027 logG= -0.053481 Density= 0.573936 ETOT(band)= -0.412563 trlgG= -0.521109 logG= -0.053481 TDE= -0.402729 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002475 tlogG= -0.051025 logG= -0.053500 Density= 0.574198 ETOT(band)= -0.412130 trlgG= -0.521353 logG= -0.053500 TDE= -0.402968 logGD-logG0= -0.002485 tlogG= -0.050644 logG= -0.053129 Density= 0.861705 ETOT(band)= -0.616954 trlgG= -0.780504 logG= -0.053129 TDE= -0.402955 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002498 tlogG= -0.050334 logG= -0.052832 logGD-logG0= -0.002889 tlogG= -0.044606 logG= -0.047496 Density= 0.574631 ETOT(band)= -0.410758 trlgG= -0.519821 logG= -0.052832 TDE= -0.402923 Density= 0.451352 ETOT(band)= -0.290167 trlgG= -0.367015 logG= -0.047496 TDE= -0.400640 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002542 tlogG= -0.049524 logG= -0.052065 Density= 0.863330 ETOT(band)= -0.612625 trlgG= -0.775219 logG= -0.052065 TDE= -0.402706 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.003063 tlogG= -0.043856 logG= -0.046920 Density= 0.633729 ETOT(band)= -0.361138 trlgG= -0.459996 logG= -0.046920 TDE= -0.400133 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002995 tlogG= -0.044036 logG= -0.047031 Density= 0.599428 ETOT(band)= -0.388700 trlgG= -0.491338 logG= -0.047031 TDE= -0.400294 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002523 tlogG= -0.049933 logG= -0.052456 logGD-logG0= -0.002531 tlogG= -0.049221 logG= -0.051752 Density= 0.862375 ETOT(band)= -0.614230 trlgG= -0.777259 logG= -0.052456 TDE= -0.402755 Density= 0.575200 ETOT(band)= -0.408959 trlgG= -0.517570 logG= -0.051752 TDE= -0.402689 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002495 tlogG= -0.050679 logG= -0.053174 Density= 0.574473 ETOT(band)= -0.411040 trlgG= -0.520209 logG= -0.053174 TDE= -0.402882 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002515 tlogG= -0.050121 logG= -0.052636 Density= 0.862259 ETOT(band)= -0.614891 trlgG= -0.778201 logG= -0.052636 TDE= -0.402857 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.001454 tlogG= -0.023794 logG= -0.025248 Density= 0.462021 ETOT(band)= -0.284347 trlgG= -0.363090 logG= -0.025248 TDE= -0.200904 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006499 tlogG= -0.085782 logG= -0.092282 Density= 0.924035 ETOT(band)= -0.559684 trlgG= -0.705727 logG= -0.092282 TDE= -0.799326 logGD-logG0= -0.002812 tlogG= -0.046253 logG= -0.049065 Density= 0.591001 ETOT(band)= -0.392828 trlgG= -0.496023 logG= -0.049065 TDE= -0.401350 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002753 tlogG= -0.048048 logG= -0.050801 Density= 0.587594 ETOT(band)= -0.398681 trlgG= -0.504200 logG= -0.050801 TDE= -0.402088 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002945 tlogG= -0.046545 logG= -0.049490 Density= 0.616924 ETOT(band)= -0.375985 trlgG= -0.479419 logG= -0.049490 TDE= -0.401369 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005656 tlogG= -0.095316 logG= -0.100972 Density= 1.175928 ETOT(band)= -0.795723 trlgG= -1.005617 logG= -0.100972 TDE= -0.803716 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004922 tlogG= -0.101848 logG= -0.106770 Density= 0.861158 ETOT(band)= -0.618272 trlgG= -0.781205 logG= -0.106770 TDE= -0.805521 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002466 tlogG= -0.051014 logG= -0.053481 Density= 0.574121 ETOT(band)= -0.412269 trlgG= -0.521215 logG= -0.053481 TDE= -0.402882 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.004992 tlogG= -0.100394 logG= -0.105386 Density= 0.862295 ETOT(band)= -0.615090 trlgG= -0.778361 logG= -0.105386 TDE= -0.805833 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005357 tlogG= -0.096663 logG= -0.102020 logGD-logG0= -0.005078 tlogG= -0.098519 logG= -0.103597 Density= 0.863062 ETOT(band)= -0.611653 trlgG= -0.773685 logG= -0.103597 TDE= -0.805134 Density= 1.174145 ETOT(band)= -0.798730 trlgG= -1.010498 logG= -0.102020 TDE= -0.804405 logGD-logG0= -0.005115 tlogG= -0.097541 logG= -0.102657 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 1.152748 ETOT(band)= -0.812042 trlgG= -1.026990 logG= -0.102657 TDE= -0.804934 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005013 tlogG= -0.100633 logG= -0.105646 logGD-logG0= -0.002614 tlogG= -0.046899 logG= -0.049514 Density= 0.862027 ETOT(band)= -0.615352 trlgG= -0.778740 logG= -0.105646 TDE= -0.805657 Density= 0.582410 ETOT(band)= -0.401716 trlgG= -0.508143 logG= -0.049514 TDE= -0.401745 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002640 tlogG= -0.046484 logG= -0.049124 logGD-logG0= -0.002569 tlogG= -0.048591 logG= -0.051160 Density= 0.578916 ETOT(band)= -0.404192 trlgG= -0.511325 logG= -0.051160 TDE= -0.402441 Density= 0.584810 ETOT(band)= -0.399696 trlgG= -0.505426 logG= -0.049124 TDE= -0.401495 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005247 tlogG= -0.097314 logG= -0.102561 Density= 1.171809 ETOT(band)= -0.801150 trlgG= -1.014035 logG= -0.102561 TDE= -0.804777 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004950 tlogG= -0.101648 logG= -0.106597 Density= 0.861468 ETOT(band)= -0.617598 trlgG= -0.781035 logG= -0.106597 TDE= -0.805799 logGD-logG0= -0.005111 tlogG= -0.096955 logG= -0.102066 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.864375 ETOT(band)= -0.608681 trlgG= -0.769881 logG= -0.102066 TDE= -0.804881 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005060 tlogG= -0.098981 logG= -0.104040 Density= 0.862944 ETOT(band)= -0.612438 trlgG= -0.774910 logG= -0.104040 TDE= -0.805400 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002515 tlogG= -0.049733 logG= -0.052248 Density= 0.575303 ETOT(band)= -0.408647 trlgG= -0.517168 logG= -0.052248 TDE= -0.402844 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005143 tlogG= -0.096960 logG= -0.102103 Density= 1.154924 ETOT(band)= -0.809588 trlgG= -1.023555 logG= -0.102103 TDE= -0.804601 logGD-logG0= -0.005010 tlogG= -0.100493 logG= -0.105503 Density= 1.149691 ETOT(band)= -0.820090 trlgG= -1.037899 logG= -0.105503 TDE= -0.805850 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 38) Finished k-point 78 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005000 tlogG= -0.100927 logG= -0.105927 Density= 0.861934 ETOT(band)= -0.615923 trlgG= -0.779502 logG= -0.105927 TDE= -0.805805 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005467 tlogG= -0.093233 logG= -0.098701 Density= 1.180150 ETOT(band)= -0.787880 trlgG= -0.995287 logG= -0.098701 TDE= -0.803029 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005054 tlogG= -0.099457 logG= -0.104512 Density= 1.150539 ETOT(band)= -0.817540 trlgG= -1.034630 logG= -0.104512 TDE= -0.805645 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002553 tlogG= -0.049273 logG= -0.051826 Density= 0.864550 ETOT(band)= -0.611164 trlgG= -0.773215 logG= -0.051826 TDE= -0.402565 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005352 tlogG= -0.094072 logG= -0.099424 Density= 1.177272 ETOT(band)= -0.791034 trlgG= -0.999936 logG= -0.099424 TDE= -0.803540 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005785 tlogG= -0.091546 logG= -0.097331 Density= 1.186132 ETOT(band)= -0.781537 trlgG= -0.986234 logG= -0.097331 TDE= -0.802124 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Sum of eigenvalues= -385.422083208719 eV TrLogG= -487.273504305189 eV Ratio to renormalize= 1.000788446206 rho-rho_expected=-0.032300826977 nargs= 1 argi=dmft2.def 53) Finished k-point number 107 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 11) Finished k-point number 23 1 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 8) Finished k-point number 17 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 49) Finished k-point number 100 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 44) Finished k-point number 90 2 with #bands= 19 43) Finished k-point number 87 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 6) Finished k-point number 14 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 43) Finished k-point number 88 2 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 23) Finished k-point number 48 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 13) Finished k-point number 27 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 58) Finished k-point number 118 2 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 48) Finished k-point number 98 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 41) Finished k-point number 83 1 with #bands= 19 45) Finished k-point number 91 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 45) Finished k-point number 92 2 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 41) Finished k-point number 84 2 with #bands= 19 4) Finished k-point number 9 1 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 0) Finished k-point number 1 1 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 26) Finished k-point number 54 2 with #bands= 19 0) Finished k-point number 2 2 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 21) Finished k-point number 43 1 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.862645688077326 0.869879636253521 0.847777443741262 58) Finished k-point number 117 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 39) Finished k-point number 79 1 with #bands= 19 18) Finished k-point number 37 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 4) Finished k-point number 9 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 1) Finished k-point number 3 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 31) Finished k-point number 63 1 with #bands= 19 30) Finished k-point number 61 1 with #bands= 19 17) Finished k-point number 35 1 with #bands= 19 24) Finished k-point number 49 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 7) Finished k-point number 15 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 58) Finished k-point number 118 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 30) Finished k-point number 62 2 with #bands= 19 18) Finished k-point number 38 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 34) Finished k-point number 70 2 with #bands= 19 20) Finished k-point number 42 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 44) Finished k-point number 90 2 with #bands= 19 40) Finished k-point number 82 2 with #bands= 19 21) Finished k-point number 44 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 57) Finished k-point number 116 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 1) Finished k-point number 4 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 22) Finished k-point number 46 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 9.27619338220088 Density= 41.0389095085762 41.0000000000000 EF 9.00407955008730 Density= 40.7097998277568 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.68178770 0.66178770 0.389095E-01 -0.290200 1 0.67942317 0.66178770 0.454055E-02 -0.290200 2 0.67911560 0.66178770 0.292760E-03 -0.290200 3 0.67909446 0.66178770 0.189268E-05 -0.290200 4 0.67909432 0.66178770 0.738048E-09 -0.290200 5 0.67909432 0.67909432 -0.637542E-09 0.738048E-09 6 0.67909432 0.67909432 0.738048E-09 -0.637542E-09 7 0.67909432 0.67909432 0.738048E-09 -0.637542E-09 Absolute convergence of the X interval. Difference in EF too large to mix -3.664529066990927E-002 cutoff= 2.9999999E-02 Difference in EF= -0.0366452907 EF set to : 9.2395480915 new EF (no-mixing): 9.2395480915 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.000609 tlogG= -0.012648 logG= -0.013257 Density= 0.071685 ETOT(band)= -0.051656 trlgG= -0.065104 logG= -0.013257 TDE= -0.100528 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 25 logGD-logG0= -0.000814 tlogG= -0.016880 logG= -0.017693 Density= 0.095596 ETOT(band)= -0.068874 trlgG= -0.086816 logG= -0.017693 TDE= -0.134041 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001315 tlogG= -0.013272 logG= -0.014586 Density= 0.112546 ETOT(band)= -0.055082 trlgG= -0.070688 logG= -0.014586 TDE= -0.132531 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.001134 tlogG= -0.014000 logG= -0.015134 Density= 0.102672 ETOT(band)= -0.062248 trlgG= -0.078343 logG= -0.015134 TDE= -0.132933 logGD-logG0= -0.002527 tlogG= -0.049586 logG= -0.052113 Density= 0.287491 ETOT(band)= -0.205057 trlgG= -0.259169 logG= -0.052113 TDE= -0.402289 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 37) Finished k-point 75 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000906 tlogG= -0.015073 logG= -0.015980 Density= 0.099594 ETOT(band)= -0.064825 trlgG= -0.081866 logG= -0.015980 TDE= -0.133520 logGD-logG0= -0.000619 tlogG= -0.012700 logG= -0.013319 Density= 0.071761 ETOT(band)= -0.051605 trlgG= -0.065190 logG= -0.013319 TDE= -0.100604 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000820 tlogG= -0.016862 logG= -0.017681 Density= 0.095666 ETOT(band)= -0.068790 trlgG= -0.086749 logG= -0.017681 TDE= -0.134034 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002506 tlogG= -0.050144 logG= -0.052650 Density= 0.287257 ETOT(band)= -0.205610 trlgG= -0.259853 logG= -0.052650 TDE= -0.402278 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002476 tlogG= -0.050441 logG= -0.052917 Density= 0.287123 ETOT(band)= -0.206120 trlgG= -0.260227 logG= -0.052917 TDE= -0.402294 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000832 tlogG= -0.016611 logG= -0.017443 Density= 0.095794 ETOT(band)= -0.068459 trlgG= -0.086499 logG= -0.017443 TDE= -0.134109 logGD-logG0= -0.002500 tlogG= -0.050282 logG= -0.052782 logGD-logG0= -0.002445 tlogG= -0.050686 logG= -0.053131 Density= 0.286826 ETOT(band)= -0.206622 trlgG= -0.260488 logG= -0.053131 TDE= -0.402140 Density= 0.287226 ETOT(band)= -0.205788 trlgG= -0.260076 logG= -0.052782 TDE= -0.402348 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002489 tlogG= -0.050592 logG= -0.053080 Density= 0.287132 ETOT(band)= -0.206110 trlgG= -0.260463 logG= -0.053080 TDE= -0.402373 logGD-logG0= -0.003559 tlogG= -0.041262 logG= -0.044822 Density= 0.308743 ETOT(band)= -0.185747 trlgG= -0.233514 logG= -0.044822 TDE= -0.398358 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002494 tlogG= -0.050484 logG= -0.052979 Density= 0.287163 ETOT(band)= -0.205953 trlgG= -0.260286 logG= -0.052979 TDE= -0.402318 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003393 tlogG= -0.041955 logG= -0.045348 Density= 0.321875 ETOT(band)= -0.177281 trlgG= -0.225511 logG= -0.045348 TDE= -0.398746 logGD-logG0= -0.001375 tlogG= -0.023983 logG= -0.025358 Density= 0.146801 ETOT(band)= -0.100098 trlgG= -0.126462 logG= -0.025358 TDE= -0.200796 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002467 tlogG= -0.050769 logG= -0.053236 Density= 0.286995 ETOT(band)= -0.206487 trlgG= -0.260658 logG= -0.053236 TDE= -0.402319 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002825 tlogG= -0.047589 logG= -0.050414 Density= 0.293786 ETOT(band)= -0.199812 trlgG= -0.252279 logG= -0.050414 TDE= -0.401373 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002874 tlogG= -0.044597 logG= -0.047471 Density= 0.296656 ETOT(band)= -0.195325 trlgG= -0.246172 logG= -0.047471 TDE= -0.400158 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002780 tlogG= -0.047015 logG= -0.049796 Density= 0.293905 ETOT(band)= -0.199164 trlgG= -0.251430 logG= -0.049796 TDE= -0.401224 20) Finished k-point 41 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002621 tlogG= -0.048559 logG= -0.051181 Density= 0.292664 ETOT(band)= -0.201154 trlgG= -0.254319 logG= -0.051181 TDE= -0.401884 logGD-logG0= -0.002586 tlogG= -0.047252 logG= -0.049839 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.288404 ETOT(band)= -0.202368 trlgG= -0.255501 logG= -0.049839 TDE= -0.401515 logGD-logG0= -0.002995 tlogG= -0.045019 logG= -0.048014 Density= 0.308716 ETOT(band)= -0.187546 trlgG= -0.238619 logG= -0.048014 TDE= -0.400252 logGD-logG0= -0.001226 tlogG= -0.025345 logG= -0.026570 Density= 0.143447 ETOT(band)= -0.103280 trlgG= -0.130216 logG= -0.026570 TDE= -0.201060 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002923 tlogG= -0.047001 logG= -0.049924 Density= 0.308106 ETOT(band)= -0.189675 trlgG= -0.241809 logG= -0.049924 TDE= -0.401118 logGD-logG0= -0.002505 tlogG= -0.050074 logG= -0.052579 Density= 0.287302 ETOT(band)= -0.205612 trlgG= -0.259850 logG= -0.052579 TDE= -0.402376 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002513 tlogG= -0.049384 logG= -0.051897 logGD-logG0= -0.005716 tlogG= -0.093180 logG= -0.098896 Density= 0.588193 ETOT(band)= -0.397470 trlgG= -0.501400 logG= -0.098896 TDE= -0.801943 Density= 0.287545 ETOT(band)= -0.204847 trlgG= -0.258886 logG= -0.051897 TDE= -0.402259 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002534 tlogG= -0.048784 logG= -0.051318 Density= 0.287755 ETOT(band)= -0.204163 trlgG= -0.258006 logG= -0.051318 TDE= -0.402100 logGD-logG0= -0.005408 tlogG= -0.094658 logG= -0.100066 Density= 0.587302 ETOT(band)= -0.399030 trlgG= -0.503945 logG= -0.100066 TDE= -0.802712 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002522 tlogG= -0.049578 logG= -0.052100 Density= 0.287408 ETOT(band)= -0.205029 trlgG= -0.259083 logG= -0.052100 TDE= -0.402160 logGD-logG0= -0.002481 tlogG= -0.050618 logG= -0.053099 Density= 0.287107 ETOT(band)= -0.206215 trlgG= -0.260508 logG= -0.053099 TDE= -0.402382 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002676 tlogG= -0.048241 logG= -0.050917 logGD-logG0= -0.002462 tlogG= -0.050666 logG= -0.053127 Density= 0.286982 ETOT(band)= -0.206444 trlgG= -0.260436 logG= -0.053127 TDE= -0.402197 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 Density= 0.293338 ETOT(band)= -0.200519 trlgG= -0.253416 logG= -0.050917 TDE= -0.401703 logGD-logG0= -0.002455 tlogG= -0.050750 logG= -0.053205 Density= 0.286908 ETOT(band)= -0.206584 trlgG= -0.260537 logG= -0.053205 TDE= -0.402170 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002476 tlogG= -0.050597 logG= -0.053073 Density= 0.287077 ETOT(band)= -0.206273 trlgG= -0.260446 logG= -0.053073 TDE= -0.402326 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005456 tlogG= -0.091030 logG= -0.096487 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.589938 ETOT(band)= -0.394066 trlgG= -0.497179 logG= -0.096487 TDE= -0.801315 logGD-logG0= -0.005123 tlogG= -0.097498 logG= -0.102621 logGD-logG0= -0.002471 tlogG= -0.050449 logG= -0.052919 Density= 0.287104 ETOT(band)= -0.206147 trlgG= -0.260190 logG= -0.052919 TDE= -0.402242 Density= 0.576408 ETOT(band)= -0.407685 trlgG= -0.515027 logG= -0.102621 TDE= -0.803841 logGD-logG0= -0.002553 tlogG= -0.048461 logG= -0.051014 22) Finished k-point 45 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 Density= 0.287790 ETOT(band)= -0.203829 trlgG= -0.257480 logG= -0.051014 TDE= -0.401903 logGD-logG0= -0.002486 tlogG= -0.050261 logG= -0.052747 Density= 0.287215 ETOT(band)= -0.205870 trlgG= -0.260047 logG= -0.052747 TDE= -0.402346 logGD-logG0= -0.002564 tlogG= -0.048178 logG= -0.050742 Density= 0.287832 ETOT(band)= -0.203538 trlgG= -0.257011 logG= -0.050742 TDE= -0.401734 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004984 tlogG= -0.100424 logG= -0.105408 Density= 0.574481 ETOT(band)= -0.411616 trlgG= -0.520024 logG= -0.105408 TDE= -0.804743 logGD-logG0= -0.005098 tlogG= -0.098023 logG= -0.103122 Density= 0.575578 ETOT(band)= -0.408675 trlgG= -0.516391 logG= -0.103122 TDE= -0.804141 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005198 tlogG= -0.094508 logG= -0.099706 Density= 0.577955 ETOT(band)= -0.404071 trlgG= -0.509966 logG= -0.099706 TDE= -0.802746 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005061 tlogG= -0.098882 logG= -0.103943 logGD-logG0= -0.005582 tlogG= -0.090045 logG= -0.095627 Density= 0.574926 ETOT(band)= -0.409766 trlgG= -0.517783 logG= -0.103943 TDE= -0.804269 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.591976 ETOT(band)= -0.392067 trlgG= -0.494332 logG= -0.095627 TDE= -0.800712 logGD-logG0= -0.004982 tlogG= -0.100693 logG= -0.105675 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.574402 ETOT(band)= -0.411829 trlgG= -0.520358 logG= -0.105675 TDE= -0.804756 logGD-logG0= -0.005081 tlogG= -0.097823 logG= -0.102904 Density= 0.575411 ETOT(band)= -0.408616 trlgG= -0.516352 logG= -0.102904 TDE= -0.804207 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.005926 tlogG= -0.088071 logG= -0.093997 Density= 0.597132 ETOT(band)= -0.387440 trlgG= -0.488119 logG= -0.093997 TDE= -0.799631 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.005294 tlogG= -0.095384 logG= -0.100678 Density= 0.586262 ETOT(band)= -0.400196 trlgG= -0.505691 logG= -0.100678 TDE= -0.803140 logGD-logG0= -0.002511 tlogG= -0.049834 logG= -0.052344 Density= 0.287388 ETOT(band)= -0.205360 trlgG= -0.259535 logG= -0.052344 TDE= -0.402355 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002514 tlogG= -0.049759 logG= -0.052274 Density= 0.287378 ETOT(band)= -0.205235 trlgG= -0.259377 logG= -0.052274 TDE= -0.402260 logGD-logG0= -0.005044 tlogG= -0.099277 logG= -0.104321 Density= 0.574849 ETOT(band)= -0.410211 trlgG= -0.518423 logG= -0.104321 TDE= -0.804479 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005165 tlogG= -0.095201 logG= -0.100366 Density= 0.576733 ETOT(band)= -0.405420 trlgG= -0.511870 logG= -0.100366 TDE= -0.803160 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002596 tlogG= -0.047388 logG= -0.049985 logGD-logG0= -0.002560 tlogG= -0.048851 logG= -0.051411 Density= 0.289875 ETOT(band)= -0.201643 trlgG= -0.254669 logG= -0.049985 TDE= -0.401537 Density= 0.288616 ETOT(band)= -0.203723 trlgG= -0.257466 logG= -0.051411 TDE= -0.402052 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005034 tlogG= -0.099041 logG= -0.104076 Density= 0.574960 ETOT(band)= -0.409992 trlgG= -0.518160 logG= -0.104076 TDE= -0.804536 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000101 tlogG= -0.002107 logG= -0.002208 Density= 0.083632 ETOT(band)= -0.060265 trlgG= -0.075953 logG= -0.002208 TDE= -0.016754 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.000621 tlogG= -0.012675 logG= -0.013296 Density= 0.358907 ETOT(band)= -0.257665 trlgG= -0.325614 logG= -0.013296 TDE= -0.100598 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001220 tlogG= -0.025311 logG= -0.026531 Density= 0.238978 ETOT(band)= -0.172188 trlgG= -0.217039 logG= -0.026531 TDE= -0.201062 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000623 tlogG= -0.012651 logG= -0.013274 Density= 0.358946 ETOT(band)= -0.257471 trlgG= -0.325397 logG= -0.013274 TDE= -0.100585 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000611 tlogG= -0.012671 logG= -0.013281 Density= 0.358526 ETOT(band)= -0.258282 trlgG= -0.325616 logG= -0.013281 TDE= -0.100538 57) Finished k-point 116 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002492 tlogG= -0.050476 logG= -0.052968 Density= 0.574391 ETOT(band)= -0.411778 trlgG= -0.520390 logG= -0.052968 TDE= -0.402359 logGD-logG0= -0.000852 tlogG= -0.016009 logG= -0.016861 Density= 0.167771 ETOT(band)= -0.119371 trlgG= -0.150799 logG= -0.016861 TDE= -0.133947 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000616 tlogG= -0.012706 logG= -0.013322 Density= 0.358736 ETOT(band)= -0.258127 trlgG= -0.325840 logG= -0.013322 TDE= -0.100579 logGD-logG0= -0.001237 tlogG= -0.025263 logG= -0.026501 Density= 0.430666 ETOT(band)= -0.309234 trlgG= -0.390392 logG= -0.026501 TDE= -0.201143 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003737 tlogG= -0.040570 logG= -0.044307 Density= 0.435526 ETOT(band)= -0.230739 trlgG= -0.293651 logG= -0.044307 TDE= -0.397991 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003121 tlogG= -0.043207 logG= -0.046329 Density= 0.409737 ETOT(band)= -0.250403 trlgG= -0.315607 logG= -0.046329 TDE= -0.399461 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.001253 tlogG= -0.024990 logG= -0.026243 Density= 0.431058 ETOT(band)= -0.308123 trlgG= -0.389402 logG= -0.026243 TDE= -0.201189 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002453 tlogG= -0.050661 logG= -0.053114 Density= 0.382587 ETOT(band)= -0.275297 trlgG= -0.347105 logG= -0.053114 TDE= -0.402088 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002483 tlogG= -0.050201 logG= -0.052684 Density= 0.383023 ETOT(band)= -0.274281 trlgG= -0.346451 logG= -0.052684 TDE= -0.402323 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002893 tlogG= -0.044277 logG= -0.047170 logGD-logG0= -0.002632 tlogG= -0.046321 logG= -0.048954 Density= 0.451343 ETOT(band)= -0.290502 trlgG= -0.366869 logG= -0.047170 TDE= -0.400050 Density= 0.390895 ETOT(band)= -0.264654 trlgG= -0.334091 logG= -0.048954 TDE= -0.401092 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002534 tlogG= -0.048903 logG= -0.051437 Density= 0.575181 ETOT(band)= -0.409361 trlgG= -0.517348 logG= -0.051437 TDE= -0.402111 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002545 tlogG= -0.049204 logG= -0.051750 Density= 0.863301 ETOT(band)= -0.613225 trlgG= -0.774876 logG= -0.051750 TDE= -0.402127 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002447 tlogG= -0.050684 logG= -0.053131 Density= 0.430299 ETOT(band)= -0.309875 trlgG= -0.390670 logG= -0.053131 TDE= -0.402123 logGD-logG0= -0.003067 tlogG= -0.043529 logG= -0.046597 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000613 tlogG= -0.012694 logG= -0.013307 Density= 0.358629 ETOT(band)= -0.258242 trlgG= -0.325685 logG= -0.013307 TDE= -0.100546 Density= 0.633831 ETOT(band)= -0.361586 trlgG= -0.459805 logG= -0.046597 TDE= -0.399545 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001457 tlogG= -0.023634 logG= -0.025091 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.462122 ETOT(band)= -0.284652 trlgG= -0.362921 logG= -0.025091 TDE= -0.200613 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002998 tlogG= -0.043704 logG= -0.046702 logGD-logG0= -0.001278 tlogG= -0.024526 logG= -0.025804 Density= 0.599433 ETOT(band)= -0.389128 trlgG= -0.491120 logG= -0.046702 TDE= -0.399702 Density= 0.432856 ETOT(band)= -0.305717 trlgG= -0.386375 logG= -0.025804 TDE= -0.201057 logGD-logG0= -0.002526 tlogG= -0.049613 logG= -0.052140 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 Density= 0.862343 ETOT(band)= -0.614828 trlgG= -0.776914 logG= -0.052140 TDE= -0.402175 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002478 tlogG= -0.050711 logG= -0.053189 Density= 0.574180 ETOT(band)= -0.412535 trlgG= -0.521142 logG= -0.053189 TDE= -0.402395 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002499 tlogG= -0.050360 logG= -0.052859 Density= 0.574453 ETOT(band)= -0.411438 trlgG= -0.519983 logG= -0.052859 TDE= -0.402304 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002518 tlogG= -0.049803 logG= -0.052321 Density= 0.862228 ETOT(band)= -0.615492 trlgG= -0.777866 logG= -0.052321 TDE= -0.402279 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002817 tlogG= -0.045926 logG= -0.048743 Density= 0.590973 ETOT(band)= -0.393256 trlgG= -0.495807 logG= -0.048743 TDE= -0.400762 logGD-logG0= -0.002758 tlogG= -0.047723 logG= -0.050481 Density= 0.587583 ETOT(band)= -0.399100 trlgG= -0.503979 logG= -0.050481 TDE= -0.401503 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006507 tlogG= -0.085111 logG= -0.091618 Density= 0.924151 ETOT(band)= -0.560289 trlgG= -0.705346 logG= -0.091618 TDE= -0.798134 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002618 tlogG= -0.046575 logG= -0.049193 Density= 0.582415 ETOT(band)= -0.402113 trlgG= -0.507903 logG= -0.049193 TDE= -0.401160 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002470 tlogG= -0.050702 logG= -0.053171 Density= 0.574104 ETOT(band)= -0.412676 trlgG= -0.521011 logG= -0.053171 TDE= -0.402311 logGD-logG0= -0.002951 tlogG= -0.046223 logG= -0.049174 Density= 0.617042 ETOT(band)= -0.376400 trlgG= -0.479197 logG= -0.049174 TDE= -0.400787 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002457 tlogG= -0.050716 logG= -0.053173 Density= 0.573919 ETOT(band)= -0.412973 trlgG= -0.520913 logG= -0.053173 TDE= -0.402161 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005667 tlogG= -0.094662 logG= -0.100329 Density= 1.175915 ETOT(band)= -0.796547 trlgG= -1.005152 logG= -0.100329 TDE= -0.802542 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005366 tlogG= -0.096015 logG= -0.101381 Density= 1.174132 ETOT(band)= -0.799559 trlgG= -1.010049 logG= -0.101381 TDE= -0.803236 logGD-logG0= -0.004928 tlogG= -0.101224 logG= -0.106152 Density= 0.861134 ETOT(band)= -0.618884 trlgG= -0.780904 logG= -0.106152 TDE= -0.804382 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002519 tlogG= -0.049416 logG= -0.051935 Density= 0.575286 ETOT(band)= -0.409048 trlgG= -0.516948 logG= -0.051935 TDE= -0.402268 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005020 tlogG= -0.099995 logG= -0.105015 Density= 0.861997 ETOT(band)= -0.615950 trlgG= -0.778398 logG= -0.105015 TDE= -0.804499 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002643 tlogG= -0.046158 logG= -0.048802 Density= 0.584789 ETOT(band)= -0.400112 trlgG= -0.505203 logG= -0.048802 TDE= -0.400908 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005085 tlogG= -0.097877 logG= -0.102962 Density= 0.863029 ETOT(band)= -0.612250 trlgG= -0.773333 logG= -0.102962 TDE= -0.803972 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002557 tlogG= -0.048952 logG= -0.051509 Density= 0.864528 ETOT(band)= -0.611758 trlgG= -0.772859 logG= -0.051509 TDE= -0.401983 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005066 tlogG= -0.098343 logG= -0.103409 Density= 0.862914 ETOT(band)= -0.613037 trlgG= -0.774568 logG= -0.103409 TDE= -0.804241 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005150 tlogG= -0.096315 logG= -0.101465 Density= 1.154883 ETOT(band)= -0.810384 trlgG= -1.023078 logG= -0.101465 TDE= -0.803435 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005256 tlogG= -0.096670 logG= -0.101926 Density= 1.171836 ETOT(band)= -0.801957 trlgG= -1.013570 logG= -0.101926 TDE= -0.803612 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005476 tlogG= -0.092580 logG= -0.098056 Density= 1.180094 ETOT(band)= -0.788732 trlgG= -0.994854 logG= -0.098056 TDE= -0.801855 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005122 tlogG= -0.096900 logG= -0.102023 Density= 1.152712 ETOT(band)= -0.812837 trlgG= -1.026521 logG= -0.102023 TDE= -0.803772 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005007 tlogG= -0.100292 logG= -0.105299 Density= 0.861905 ETOT(band)= -0.616525 trlgG= -0.779169 logG= -0.105299 TDE= -0.804651 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005360 tlogG= -0.093423 logG= -0.098783 Density= 1.177252 ETOT(band)= -0.791867 trlgG= -0.999490 logG= -0.098783 TDE= -0.802370 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005794 tlogG= -0.090886 logG= -0.096681 Density= 1.186232 ETOT(band)= -0.782291 trlgG= -0.985688 logG= -0.096681 TDE= -0.800943 logGD-logG0= -0.002488 tlogG= -0.050330 logG= -0.052819 Density= 0.861679 ETOT(band)= -0.617563 trlgG= -0.780190 logG= -0.052819 TDE= -0.402382 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 28 logGD-logG0= -0.002488 tlogG= -0.050462 logG= -0.052951 Density= 0.861566 ETOT(band)= -0.617873 trlgG= -0.780685 logG= -0.052951 TDE= -0.402388 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.005016 tlogG= -0.099861 logG= -0.104877 Density= 1.149653 ETOT(band)= -0.820896 trlgG= -1.037464 logG= -0.104877 TDE= -0.804698 38) Finished k-point 78 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002501 tlogG= -0.050018 logG= -0.052519 Density= 0.574612 ETOT(band)= -0.411162 trlgG= -0.519606 logG= -0.052519 TDE= -0.402348 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004998 tlogG= -0.099764 logG= -0.104763 Density= 0.862271 ETOT(band)= -0.615695 trlgG= -0.778039 logG= -0.104763 TDE= -0.804684 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005118 tlogG= -0.096316 logG= -0.101434 Density= 0.864350 ETOT(band)= -0.609277 trlgG= -0.769533 logG= -0.101434 TDE= -0.803721 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.004956 tlogG= -0.101021 logG= -0.105977 Density= 0.861442 ETOT(band)= -0.618207 trlgG= -0.780724 logG= -0.105977 TDE= -0.804655 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005061 tlogG= -0.098822 logG= -0.103884 Density= 1.150500 ETOT(band)= -0.818344 trlgG= -1.034186 logG= -0.103884 TDE= -0.804490 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002573 tlogG= -0.048270 logG= -0.050844 Density= 0.578927 ETOT(band)= -0.404579 trlgG= -0.511079 logG= -0.050844 TDE= -0.401860 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Sum of eigenvalues= -385.811188119557 eV TrLogG= -487.059764844689 eV Ratio to renormalize= 1.000795703339 rho-rho_expected=-0.032597898659 nargs= 1 argi=dmft2.def 54) Finished k-point number 109 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 2) Finished k-point number 6 2 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 10) Finished k-point number 21 1 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 36) Finished k-point number 73 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 25) Finished k-point number 51 1 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 55) Finished k-point number 112 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 43) Finished k-point number 87 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 24) Finished k-point number 50 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 9) Finished k-point number 20 2 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 12) Finished k-point number 26 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 35) Finished k-point number 71 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 3) Finished k-point number 7 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 46) Finished k-point number 93 1 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 32) Finished k-point number 65 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 26) Finished k-point number 54 2 with #bands= 19 56) Finished k-point number 113 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 0) Finished k-point number 1 1 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 31) Finished k-point number 64 2 with #bands= 19 17) Finished k-point number 35 1 with #bands= 19 17) Finished k-point number 36 2 with #bands= 19 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.862863436570669 0.870084390514264 0.848022627119942 18) Finished k-point number 37 1 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 32) Finished k-point number 65 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 50) Finished k-point number 101 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 41) Finished k-point number 83 1 with #bands= 19 59) Finished k-point number 119 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 19) Finished k-point number 39 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 4) Finished k-point number 9 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 1) Finished k-point number 3 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 40) Finished k-point number 81 1 with #bands= 19 24) Finished k-point number 49 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 30) Finished k-point number 62 2 with #bands= 19 31) Finished k-point number 64 2 with #bands= 19 42) Finished k-point number 86 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 19) Finished k-point number 40 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 26) Finished k-point number 54 2 with #bands= 19 39) Finished k-point number 80 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 24) Finished k-point number 50 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 43) Finished k-point number 88 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 47) Finished k-point number 96 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 6) Finished k-point number 14 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 33) Finished k-point number 68 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 9.23954809153097 Density= 41.0179883190421 41.0000000000000 EF 8.96743425941739 Density= 40.6921267642852 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.67909432 0.65909432 0.179883E-01 -0.307873 1 0.67799027 0.65909432 0.252582E-02 -0.307873 2 0.67781139 0.65909432 0.735501E-04 -0.307873 3 0.67780604 0.65909432 0.278052E-06 -0.307873 4 0.67780601 0.65909432 0.299778E-10 -0.307873 Absolute convergence of |F(X)|. Difference in EF= -0.0175282769 EF set to : 9.2220198146 new EF (no-mixing): 9.2220198146 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.000619 tlogG= -0.012668 logG= -0.013287 Density= 0.071760 ETOT(band)= -0.051638 trlgG= -0.065192 logG= -0.013287 TDE= -0.100544 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000832 tlogG= -0.016568 logG= -0.017400 Density= 0.095793 ETOT(band)= -0.068503 trlgG= -0.086501 logG= -0.017400 TDE= -0.134029 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000814 tlogG= -0.016837 logG= -0.017651 Density= 0.095595 ETOT(band)= -0.068918 trlgG= -0.086820 logG= -0.017651 TDE= -0.133963 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001315 tlogG= -0.013227 logG= -0.014542 Density= 0.112557 ETOT(band)= -0.055138 trlgG= -0.070700 logG= -0.014542 TDE= -0.132450 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.001134 tlogG= -0.013954 logG= -0.015088 Density= 0.102672 ETOT(band)= -0.062298 trlgG= -0.078348 logG= -0.015088 TDE= -0.132851 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000907 tlogG= -0.015029 logG= -0.015936 Density= 0.099596 ETOT(band)= -0.064870 trlgG= -0.081868 logG= -0.015936 TDE= -0.133439 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000820 tlogG= -0.016819 logG= -0.017639 Density= 0.095665 ETOT(band)= -0.068834 trlgG= -0.086753 logG= -0.017639 TDE= -0.133956 logGD-logG0= -0.002490 tlogG= -0.050461 logG= -0.052951 Density= 0.287129 ETOT(band)= -0.206241 trlgG= -0.260467 logG= -0.052951 TDE= -0.402134 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002483 tlogG= -0.050488 logG= -0.052971 logGD-logG0= -0.002529 tlogG= -0.049455 logG= -0.051984 Density= 0.287487 ETOT(band)= -0.205189 trlgG= -0.259173 logG= -0.051984 TDE= -0.402050 Density= 0.287104 ETOT(band)= -0.206347 trlgG= -0.260515 logG= -0.052971 TDE= -0.402144 37) Finished k-point 75 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001226 tlogG= -0.025281 logG= -0.026507 Density= 0.143445 ETOT(band)= -0.103346 trlgG= -0.130221 logG= -0.026507 TDE= -0.200942 logGD-logG0= -0.002496 tlogG= -0.050353 logG= -0.052849 Density= 0.287160 ETOT(band)= -0.206083 trlgG= -0.260289 logG= -0.052849 TDE= -0.402079 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.004985 tlogG= -0.100433 logG= -0.105417 Density= 0.574396 ETOT(band)= -0.412093 trlgG= -0.520370 logG= -0.105417 TDE= -0.804281 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002508 tlogG= -0.050012 logG= -0.052520 Density= 0.287253 ETOT(band)= -0.205741 trlgG= -0.259856 logG= -0.052520 TDE= -0.402038 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000610 tlogG= -0.012616 logG= -0.013226 Density= 0.071684 ETOT(band)= -0.051690 trlgG= -0.065107 logG= -0.013226 TDE= -0.100469 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 25 logGD-logG0= -0.003561 tlogG= -0.041124 logG= -0.044685 Density= 0.308783 ETOT(band)= -0.185868 trlgG= -0.233501 logG= -0.044685 TDE= -0.398110 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002506 tlogG= -0.049944 logG= -0.052450 Density= 0.287298 ETOT(band)= -0.205744 trlgG= -0.259856 logG= -0.052450 TDE= -0.402138 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003394 tlogG= -0.041821 logG= -0.045215 Density= 0.321903 ETOT(band)= -0.177432 trlgG= -0.225530 logG= -0.045215 TDE= -0.398502 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002472 tlogG= -0.050320 logG= -0.052792 Density= 0.287101 ETOT(band)= -0.206280 trlgG= -0.260199 logG= -0.052792 TDE= -0.402006 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002827 tlogG= -0.047454 logG= -0.050282 Density= 0.293786 ETOT(band)= -0.199947 trlgG= -0.252282 logG= -0.050282 TDE= -0.401130 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002875 tlogG= -0.044462 logG= -0.047337 Density= 0.296655 ETOT(band)= -0.195462 trlgG= -0.246177 logG= -0.047337 TDE= -0.399914 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.001376 tlogG= -0.023916 logG= -0.025292 Density= 0.146801 ETOT(band)= -0.100166 trlgG= -0.126464 logG= -0.025292 TDE= -0.200675 logGD-logG0= -0.002926 tlogG= -0.046869 logG= -0.049794 Density= 0.308128 ETOT(band)= -0.189816 trlgG= -0.241821 logG= -0.049794 TDE= -0.400877 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002783 tlogG= -0.046881 logG= -0.049664 Density= 0.293903 ETOT(band)= -0.199300 trlgG= -0.251435 logG= -0.049664 TDE= -0.400981 20) Finished k-point 41 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002997 tlogG= -0.044887 logG= -0.047884 Density= 0.308735 ETOT(band)= -0.187689 trlgG= -0.238632 logG= -0.047884 TDE= -0.400011 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002678 tlogG= -0.048108 logG= -0.050786 logGD-logG0= -0.002478 tlogG= -0.050312 logG= -0.052790 Density= 0.287120 ETOT(band)= -0.206253 trlgG= -0.260235 logG= -0.052790 TDE= -0.402057 logGD-logG0= -0.002446 tlogG= -0.050558 logG= -0.053005 Density= 0.286823 ETOT(band)= -0.206756 trlgG= -0.260499 logG= -0.053005 TDE= -0.401905 Density= 0.293338 ETOT(band)= -0.200654 trlgG= -0.253420 logG= -0.050786 TDE= -0.401461 logGD-logG0= -0.002588 tlogG= -0.047120 logG= -0.049708 Density= 0.288402 ETOT(band)= -0.202498 trlgG= -0.255502 logG= -0.049708 TDE= -0.401274 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002468 tlogG= -0.050640 logG= -0.053108 Density= 0.286992 ETOT(band)= -0.206620 trlgG= -0.260666 logG= -0.053108 TDE= -0.402083 logGD-logG0= -0.002623 tlogG= -0.048427 logG= -0.051050 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.292671 ETOT(band)= -0.201284 trlgG= -0.254319 logG= -0.051050 TDE= -0.401643 logGD-logG0= -0.002501 tlogG= -0.050151 logG= -0.052652 Density= 0.287222 ETOT(band)= -0.205920 trlgG= -0.260081 logG= -0.052652 TDE= -0.402109 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.005721 tlogG= -0.092910 logG= -0.098631 logGD-logG0= -0.002463 tlogG= -0.050537 logG= -0.053000 Density= 0.286979 ETOT(band)= -0.206577 trlgG= -0.260445 logG= -0.053000 TDE= -0.401961 Density= 0.588193 ETOT(band)= -0.397739 trlgG= -0.501405 logG= -0.098631 TDE= -0.801456 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002566 tlogG= -0.048045 logG= -0.050611 Density= 0.287828 ETOT(band)= -0.203669 trlgG= -0.257012 logG= -0.050611 TDE= -0.401493 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005412 tlogG= -0.094390 logG= -0.099802 Density= 0.587300 ETOT(band)= -0.399300 trlgG= -0.503954 logG= -0.099802 TDE= -0.802228 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005460 tlogG= -0.090762 logG= -0.096222 Density= 0.589938 ETOT(band)= -0.394337 trlgG= -0.497188 logG= -0.096222 TDE= -0.800829 logGD-logG0= -0.002562 tlogG= -0.048719 logG= -0.051281 Density= 0.288622 ETOT(band)= -0.203850 trlgG= -0.257463 logG= -0.051281 TDE= -0.401812 22) Finished k-point 45 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002523 tlogG= -0.049446 logG= -0.051970 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.287404 ETOT(band)= -0.205159 trlgG= -0.259086 logG= -0.051970 TDE= -0.401920 logGD-logG0= -0.002477 tlogG= -0.050468 logG= -0.052945 Density= 0.287074 ETOT(band)= -0.206406 trlgG= -0.260454 logG= -0.052945 TDE= -0.402090 logGD-logG0= -0.004987 tlogG= -0.100165 logG= -0.105152 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.574475 ETOT(band)= -0.411881 trlgG= -0.520038 logG= -0.105152 TDE= -0.804268 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005168 tlogG= -0.094936 logG= -0.100104 Density= 0.576730 ETOT(band)= -0.405680 trlgG= -0.511871 logG= -0.100104 TDE= -0.802678 logGD-logG0= -0.002598 tlogG= -0.047256 logG= -0.049854 logGD-logG0= -0.005126 tlogG= -0.097233 logG= -0.102359 Density= 0.289884 ETOT(band)= -0.201769 trlgG= -0.254664 logG= -0.049854 TDE= -0.401296 Density= 0.576408 ETOT(band)= -0.407942 trlgG= -0.515025 logG= -0.102359 TDE= -0.803359 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005102 tlogG= -0.097759 logG= -0.102861 Density= 0.575573 ETOT(band)= -0.408936 trlgG= -0.516395 logG= -0.102861 TDE= -0.803661 logGD-logG0= -0.002536 tlogG= -0.048653 logG= -0.051189 logGD-logG0= -0.005201 tlogG= -0.094241 logG= -0.099442 Density= 0.577955 ETOT(band)= -0.404330 trlgG= -0.509963 logG= -0.099442 TDE= -0.802262 Density= 0.287752 ETOT(band)= -0.204294 trlgG= -0.258010 logG= -0.051189 TDE= -0.401861 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005064 tlogG= -0.098618 logG= -0.103682 Density= 0.574918 ETOT(band)= -0.410027 trlgG= -0.517787 logG= -0.103682 TDE= -0.803788 logGD-logG0= -0.005585 tlogG= -0.089775 logG= -0.095360 Density= 0.591970 ETOT(band)= -0.392342 trlgG= -0.494343 logG= -0.095360 TDE= -0.800224 logGD-logG0= -0.002515 tlogG= -0.049254 logG= -0.051768 Density= 0.287542 ETOT(band)= -0.204979 trlgG= -0.258891 logG= -0.051768 TDE= -0.402020 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.005037 tlogG= -0.098780 logG= -0.103818 logGD-logG0= -0.002487 tlogG= -0.050132 logG= -0.052619 Density= 0.287212 ETOT(band)= -0.206003 trlgG= -0.260054 logG= -0.052619 TDE= -0.402109 Density= 0.574954 ETOT(band)= -0.410256 trlgG= -0.518169 logG= -0.103818 TDE= -0.804059 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005084 tlogG= -0.097560 logG= -0.102644 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.575404 ETOT(band)= -0.408878 trlgG= -0.516360 logG= -0.102644 TDE= -0.803728 logGD-logG0= -0.002456 tlogG= -0.050622 logG= -0.053078 Density= 0.286905 ETOT(band)= -0.206718 trlgG= -0.260547 logG= -0.053078 TDE= -0.401935 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002516 tlogG= -0.049628 logG= -0.052144 Density= 0.287374 ETOT(band)= -0.205367 trlgG= -0.259381 logG= -0.052144 TDE= -0.402021 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005298 tlogG= -0.095117 logG= -0.100416 Density= 0.586271 ETOT(band)= -0.400461 trlgG= -0.505695 logG= -0.100416 TDE= -0.802657 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005047 tlogG= -0.099014 logG= -0.104062 Density= 0.574842 ETOT(band)= -0.410474 trlgG= -0.518431 logG= -0.104062 TDE= -0.804000 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002512 tlogG= -0.049703 logG= -0.052215 Density= 0.287385 ETOT(band)= -0.205492 trlgG= -0.259541 logG= -0.052215 TDE= -0.402117 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005931 tlogG= -0.087798 logG= -0.093729 Density= 0.597213 ETOT(band)= -0.387662 trlgG= -0.488074 logG= -0.093729 TDE= -0.799141 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002555 tlogG= -0.048329 logG= -0.050883 Density= 0.287787 ETOT(band)= -0.203959 trlgG= -0.257482 logG= -0.050883 TDE= -0.401662 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000102 tlogG= -0.002101 logG= -0.002203 Density= 0.083631 ETOT(band)= -0.060304 trlgG= -0.075957 logG= -0.002203 TDE= -0.016744 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.000853 tlogG= -0.015965 logG= -0.016818 Density= 0.167769 ETOT(band)= -0.119447 trlgG= -0.150802 logG= -0.016818 TDE= -0.133867 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000623 tlogG= -0.012618 logG= -0.013241 Density= 0.358942 ETOT(band)= -0.257634 trlgG= -0.325402 logG= -0.013241 TDE= -0.100525 logGD-logG0= -0.002484 tlogG= -0.050072 logG= -0.052557 Density= 0.383020 ETOT(band)= -0.274458 trlgG= -0.346460 logG= -0.052557 TDE= -0.402087 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000622 tlogG= -0.012642 logG= -0.013264 Density= 0.358903 ETOT(band)= -0.257829 trlgG= -0.325620 logG= -0.013264 TDE= -0.100538 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002448 tlogG= -0.050556 logG= -0.053004 Density= 0.430294 ETOT(band)= -0.310076 trlgG= -0.390686 logG= -0.053004 TDE= -0.401889 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000616 tlogG= -0.012674 logG= -0.013290 Density= 0.358733 ETOT(band)= -0.258293 trlgG= -0.325850 logG= -0.013290 TDE= -0.100520 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003738 tlogG= -0.040434 logG= -0.044173 Density= 0.435556 ETOT(band)= -0.230951 trlgG= -0.293688 logG= -0.044173 TDE= -0.397745 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002480 tlogG= -0.050581 logG= -0.053061 Density= 0.574174 ETOT(band)= -0.412799 trlgG= -0.521155 logG= -0.053061 TDE= -0.402157 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001279 tlogG= -0.024460 logG= -0.025739 Density= 0.432864 ETOT(band)= -0.305908 trlgG= -0.386372 logG= -0.025739 TDE= -0.200938 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002490 tlogG= -0.050333 logG= -0.052822 Density= 0.861556 ETOT(band)= -0.618268 trlgG= -0.780704 logG= -0.052822 TDE= -0.402151 logGD-logG0= -0.002490 tlogG= -0.050201 logG= -0.052691 Density= 0.861670 ETOT(band)= -0.617961 trlgG= -0.780211 logG= -0.052691 TDE= -0.402145 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003123 tlogG= -0.043071 logG= -0.046194 Density= 0.409739 ETOT(band)= -0.250600 trlgG= -0.315626 logG= -0.046194 TDE= -0.399216 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002494 tlogG= -0.050345 logG= -0.052839 Density= 0.574385 ETOT(band)= -0.412041 trlgG= -0.520399 logG= -0.052839 TDE= -0.402120 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002634 tlogG= -0.046189 logG= -0.048822 Density= 0.390908 ETOT(band)= -0.264825 trlgG= -0.334088 logG= -0.048822 TDE= -0.400850 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.004931 tlogG= -0.100967 logG= -0.105898 Density= 0.861126 ETOT(band)= -0.619283 trlgG= -0.780930 logG= -0.105898 TDE= -0.803911 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001254 tlogG= -0.024925 logG= -0.026179 Density= 0.431053 ETOT(band)= -0.308321 trlgG= -0.389411 logG= -0.026179 TDE= -0.201070 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002536 tlogG= -0.048772 logG= -0.051308 logGD-logG0= -0.002894 tlogG= -0.044142 logG= -0.047037 Density= 0.575174 ETOT(band)= -0.409625 trlgG= -0.517357 logG= -0.051308 TDE= -0.401872 logGD-logG0= -0.002547 tlogG= -0.049073 logG= -0.051619 Density= 0.863294 ETOT(band)= -0.613617 trlgG= -0.774882 logG= -0.051619 TDE= -0.401887 logGD-logG0= -0.003069 tlogG= -0.043396 logG= -0.046465 Density= 0.633876 ETOT(band)= -0.361881 trlgG= -0.459840 logG= -0.046465 TDE= -0.399303 Density= 0.451346 ETOT(band)= -0.290715 trlgG= -0.366884 logG= -0.047037 TDE= -0.399806 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003000 tlogG= -0.043568 logG= -0.046568 Density= 0.599440 ETOT(band)= -0.389405 trlgG= -0.491133 logG= -0.046568 TDE= -0.399457 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002528 tlogG= -0.049481 logG= -0.052009 logGD-logG0= -0.002500 tlogG= -0.050229 logG= -0.052729 Density= 0.574446 ETOT(band)= -0.411699 trlgG= -0.519989 logG= -0.052729 TDE= -0.402065 Density= 0.862331 ETOT(band)= -0.615220 trlgG= -0.776921 logG= -0.052009 TDE= -0.401935 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001458 tlogG= -0.023568 logG= -0.025026 Density= 0.462156 ETOT(band)= -0.284863 trlgG= -0.362939 logG= -0.025026 TDE= -0.200493 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002520 tlogG= -0.049671 logG= -0.052191 Density= 0.862217 ETOT(band)= -0.615886 trlgG= -0.777877 logG= -0.052191 TDE= -0.402040 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002502 tlogG= -0.049888 logG= -0.052391 Density= 0.574606 ETOT(band)= -0.411425 trlgG= -0.519617 logG= -0.052391 TDE= -0.402110 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002760 tlogG= -0.047589 logG= -0.050349 Density= 0.587579 ETOT(band)= -0.399372 trlgG= -0.503990 logG= -0.050349 TDE= -0.401260 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006510 tlogG= -0.084837 logG= -0.091347 Density= 0.924215 ETOT(band)= -0.560690 trlgG= -0.705346 logG= -0.091347 TDE= -0.797642 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002645 tlogG= -0.046024 logG= -0.048669 logGD-logG0= -0.002953 tlogG= -0.046091 logG= -0.049044 Density= 0.617082 ETOT(band)= -0.376684 trlgG= -0.479222 logG= -0.049044 TDE= -0.400546 Density= 0.584790 ETOT(band)= -0.400377 trlgG= -0.505207 logG= -0.048669 TDE= -0.400665 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002819 tlogG= -0.045791 logG= -0.048610 Density= 0.590971 ETOT(band)= -0.393529 trlgG= -0.495817 logG= -0.048610 TDE= -0.400519 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.001220 tlogG= -0.025248 logG= -0.026468 Density= 0.238976 ETOT(band)= -0.172300 trlgG= -0.217048 logG= -0.026468 TDE= -0.200945 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005671 tlogG= -0.094393 logG= -0.100064 Density= 1.175915 ETOT(band)= -0.797084 trlgG= -1.005163 logG= -0.100064 TDE= -0.802056 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002619 tlogG= -0.046442 logG= -0.049061 Density= 0.582426 ETOT(band)= -0.402371 trlgG= -0.507901 logG= -0.049061 TDE= -0.400918 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005371 tlogG= -0.095747 logG= -0.101118 Density= 1.174131 ETOT(band)= -0.800098 trlgG= -1.010066 logG= -0.101118 TDE= -0.802752 logGD-logG0= -0.005088 tlogG= -0.097612 logG= -0.102701 Density= 0.863017 ETOT(band)= -0.612641 trlgG= -0.773337 logG= -0.102701 TDE= -0.803490 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005023 tlogG= -0.099732 logG= -0.104755 Density= 0.861986 ETOT(band)= -0.616342 trlgG= -0.778406 logG= -0.104755 TDE= -0.804020 logGD-logG0= -0.005126 tlogG= -0.096636 logG= -0.101761 Density= 1.152705 ETOT(band)= -0.813357 trlgG= -1.026525 logG= -0.101761 TDE= -0.803291 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002575 tlogG= -0.048138 logG= -0.050713 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.578943 ETOT(band)= -0.404831 trlgG= -0.511071 logG= -0.050713 TDE= -0.401620 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002520 tlogG= -0.049286 logG= -0.051806 Density= 0.575280 ETOT(band)= -0.409312 trlgG= -0.516957 logG= -0.051806 TDE= -0.402030 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002558 tlogG= -0.048819 logG= -0.051378 Density= 0.864528 ETOT(band)= -0.612144 trlgG= -0.772856 logG= -0.051378 TDE= -0.401742 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005121 tlogG= -0.096053 logG= -0.101174 Density= 0.864342 ETOT(band)= -0.609669 trlgG= -0.769540 logG= -0.101174 TDE= -0.803241 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005001 tlogG= -0.099505 logG= -0.104506 Density= 0.862262 ETOT(band)= -0.616090 trlgG= -0.778057 logG= -0.104506 TDE= -0.804209 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005019 tlogG= -0.099600 logG= -0.104619 Density= 1.149640 ETOT(band)= -0.821423 trlgG= -1.037485 logG= -0.104619 TDE= -0.804222 38) Finished k-point 78 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004959 tlogG= -0.100763 logG= -0.105721 Density= 0.861434 ETOT(band)= -0.618605 trlgG= -0.780747 logG= -0.105721 TDE= -0.804182 logGD-logG0= -0.005479 tlogG= -0.092311 logG= -0.097791 logGD-logG0= -0.005154 tlogG= -0.096049 logG= -0.101203 Density= 1.180086 ETOT(band)= -0.789278 trlgG= -0.994874 logG= -0.097791 TDE= -0.801368 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 1.154882 ETOT(band)= -0.810900 trlgG= -1.023072 logG= -0.101203 TDE= -0.802952 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005260 tlogG= -0.096405 logG= -0.101665 Density= 1.171857 ETOT(band)= -0.802484 trlgG= -1.013576 logG= -0.101665 TDE= -0.803130 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005065 tlogG= -0.098560 logG= -0.103625 Density= 1.150487 ETOT(band)= -0.818870 trlgG= -1.034203 logG= -0.103625 TDE= -0.804012 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005010 tlogG= -0.100031 logG= -0.105040 Density= 0.861895 ETOT(band)= -0.616918 trlgG= -0.779182 logG= -0.105040 TDE= -0.804174 logGD-logG0= -0.005364 tlogG= -0.093156 logG= -0.098520 Density= 1.177255 ETOT(band)= -0.792406 trlgG= -0.999506 logG= -0.098520 TDE= -0.801885 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000611 tlogG= -0.012639 logG= -0.013250 Density= 0.358523 ETOT(band)= -0.258449 trlgG= -0.325630 logG= -0.013250 TDE= -0.100479 57) Finished k-point 116 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002455 tlogG= -0.050533 logG= -0.052987 Density= 0.382583 ETOT(band)= -0.275475 trlgG= -0.347118 logG= -0.052987 TDE= -0.401853 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000613 tlogG= -0.012662 logG= -0.013276 Density= 0.358625 ETOT(band)= -0.258409 trlgG= -0.325697 logG= -0.013276 TDE= -0.100487 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005070 tlogG= -0.098080 logG= -0.103149 Density= 0.862903 ETOT(band)= -0.613430 trlgG= -0.774576 logG= -0.103149 TDE= -0.803762 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002458 tlogG= -0.050588 logG= -0.053046 Density= 0.573914 ETOT(band)= -0.413239 trlgG= -0.520931 logG= -0.053046 TDE= -0.401926 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001238 tlogG= -0.025199 logG= -0.026437 Density= 0.430661 ETOT(band)= -0.309433 trlgG= -0.390404 logG= -0.026437 TDE= -0.201025 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005799 tlogG= -0.090615 logG= -0.096414 Density= 1.186319 ETOT(band)= -0.782779 trlgG= -0.985643 logG= -0.096414 TDE= -0.800454 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002471 tlogG= -0.050573 logG= -0.053044 Density= 0.574098 ETOT(band)= -0.412942 trlgG= -0.521027 logG= -0.053044 TDE= -0.402075 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Sum of eigenvalues= -386.065119100236 eV TrLogG= -487.069658165234 eV Ratio to renormalize= 1.000792936852 rho-rho_expected=-0.032484652664 nargs= 1 argi=dmft2.def 54) Finished k-point number 109 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 6) Finished k-point number 13 1 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 6) Finished k-point number 14 2 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 38) Finished k-point number 78 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 57) Finished k-point number 115 1 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 22) Finished k-point number 45 1 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 4) Finished k-point number 10 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 41) Finished k-point number 84 2 with #bands= 19 49) Finished k-point number 99 1 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 19) Finished k-point number 39 1 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 21) Finished k-point number 44 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 56) Finished k-point number 114 2 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 40) Finished k-point number 81 1 with #bands= 19 28) Finished k-point number 57 1 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 28) Finished k-point number 58 2 with #bands= 19 29) Finished k-point number 60 2 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 30) Finished k-point number 62 2 with #bands= 19 36) Finished k-point number 73 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 7) Finished k-point number 16 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 32) Finished k-point number 66 2 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 16) Finished k-point number 34 2 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.863188160400173 0.870393456011109 0.848385274964925 58) Finished k-point number 117 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 50) Finished k-point number 101 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 41) Finished k-point number 83 1 with #bands= 19 39) Finished k-point number 79 1 with #bands= 19 4) Finished k-point number 9 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 37) Finished k-point number 75 1 with #bands= 19 1) Finished k-point number 3 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 40) Finished k-point number 81 1 with #bands= 19 7) Finished k-point number 15 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 20) Finished k-point number 41 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 6) Finished k-point number 14 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 4) Finished k-point number 10 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 30) Finished k-point number 62 2 with #bands= 19 15) Finished k-point number 32 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 31) Finished k-point number 64 2 with #bands= 19 5) Finished k-point number 12 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 21) Finished k-point number 44 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 51) Finished k-point number 104 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 57) Finished k-point number 116 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 49) Finished k-point number 100 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 39) Finished k-point number 80 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 9.22201981464393 Density= 41.0257199151742 41.0000000000000 EF 8.94990598253034 Density= 40.6982968916916 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.67780601 0.65780602 0.257199E-01 -0.301703 1 0.67623496 0.65780602 0.341554E-02 -0.301703 2 0.67599708 0.65780602 0.171940E-03 -0.301703 3 0.67598449 0.65780602 0.105186E-05 -0.301703 4 0.67598441 0.65780602 0.319638E-09 -0.301703 5 0.67598441 0.67598441 -0.103796E-08 0.319638E-09 6 0.67598441 0.67598441 -0.103796E-08 0.319638E-09 Absolute convergence of the X interval. Difference in EF= -0.0247841329 EF set to : 9.1972356818 new EF (no-mixing): 9.1972356818 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.000815 tlogG= -0.016768 logG= -0.017583 Density= 0.095593 ETOT(band)= -0.068971 trlgG= -0.086806 logG= -0.017583 TDE= -0.133842 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000821 tlogG= -0.016749 logG= -0.017570 Density= 0.095664 ETOT(band)= -0.068886 trlgG= -0.086737 logG= -0.017570 TDE= -0.133834 logGD-logG0= -0.001316 tlogG= -0.013153 logG= -0.014470 Density= 0.112570 ETOT(band)= -0.055206 trlgG= -0.070697 logG= -0.014470 TDE= -0.132323 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000610 tlogG= -0.012564 logG= -0.013175 Density= 0.071683 ETOT(band)= -0.051729 trlgG= -0.065096 logG= -0.013175 TDE= -0.100379 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002485 tlogG= -0.050278 logG= -0.052763 Density= 0.287098 ETOT(band)= -0.206502 trlgG= -0.260464 logG= -0.052763 TDE= -0.401775 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000833 tlogG= -0.016498 logG= -0.017331 Density= 0.095791 ETOT(band)= -0.068555 trlgG= -0.086484 logG= -0.017331 TDE= -0.133906 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002509 tlogG= -0.049733 logG= -0.052241 Density= 0.287292 ETOT(band)= -0.205899 trlgG= -0.259804 logG= -0.052241 TDE= -0.401767 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000908 tlogG= -0.014956 logG= -0.015864 Density= 0.099590 ETOT(band)= -0.064928 trlgG= -0.081856 logG= -0.015864 TDE= -0.133313 logGD-logG0= -0.002503 tlogG= -0.049939 logG= -0.052443 Density= 0.287216 ETOT(band)= -0.206074 trlgG= -0.260027 logG= -0.052443 TDE= -0.401738 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002531 tlogG= -0.049243 logG= -0.051774 Density= 0.287480 ETOT(band)= -0.205343 trlgG= -0.259120 logG= -0.051774 TDE= -0.401678 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.000620 tlogG= -0.012615 logG= -0.013235 37) Finished k-point 75 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 Density= 0.071758 ETOT(band)= -0.051677 trlgG= -0.065180 logG= -0.013235 TDE= -0.100452 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.004989 tlogG= -0.100012 logG= -0.105001 logGD-logG0= -0.002510 tlogG= -0.049799 logG= -0.052309 Density= 0.574384 ETOT(band)= -0.412403 trlgG= -0.520268 logG= -0.105001 TDE= -0.803541 Density= 0.287246 ETOT(band)= -0.205894 trlgG= -0.259800 logG= -0.052309 TDE= -0.401665 logGD-logG0= -0.002492 tlogG= -0.050250 logG= -0.052742 logGD-logG0= -0.001135 tlogG= -0.013879 logG= -0.015014 Density= 0.102672 ETOT(band)= -0.062356 trlgG= -0.078333 logG= -0.015014 TDE= -0.132723 Density= 0.287123 ETOT(band)= -0.206395 trlgG= -0.260414 logG= -0.052742 TDE= -0.401763 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.001227 tlogG= -0.025177 logG= -0.026404 Density= 0.143443 ETOT(band)= -0.103425 trlgG= -0.130200 logG= -0.026404 TDE= -0.200760 logGD-logG0= -0.001378 tlogG= -0.023808 logG= -0.025186 Density= 0.146799 ETOT(band)= -0.100246 trlgG= -0.126438 logG= -0.025186 TDE= -0.200486 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003563 tlogG= -0.040897 logG= -0.044461 Density= 0.308846 ETOT(band)= -0.185998 trlgG= -0.233410 logG= -0.044461 TDE= -0.397724 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.003396 tlogG= -0.041600 logG= -0.044997 Density= 0.321933 ETOT(band)= -0.177615 trlgG= -0.225496 logG= -0.044997 TDE= -0.398121 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002449 tlogG= -0.050351 logG= -0.052799 Density= 0.286818 ETOT(band)= -0.206913 trlgG= -0.260457 logG= -0.052799 TDE= -0.401542 logGD-logG0= -0.002878 tlogG= -0.044242 logG= -0.047120 Density= 0.296638 ETOT(band)= -0.195631 trlgG= -0.246131 logG= -0.047120 TDE= -0.399534 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002480 tlogG= -0.050103 logG= -0.052583 Density= 0.287115 ETOT(band)= -0.206409 trlgG= -0.260187 logG= -0.052583 TDE= -0.401689 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002831 tlogG= -0.047236 logG= -0.050067 Density= 0.293784 ETOT(band)= -0.200105 trlgG= -0.252225 logG= -0.050067 TDE= -0.400752 logGD-logG0= -0.002458 tlogG= -0.050414 logG= -0.052872 Density= 0.286900 ETOT(band)= -0.206874 trlgG= -0.260502 logG= -0.052872 TDE= -0.401570 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002479 tlogG= -0.050259 logG= -0.052738 Density= 0.287069 ETOT(band)= -0.206561 trlgG= -0.260406 logG= -0.052738 TDE= -0.401722 logGD-logG0= -0.002929 tlogG= -0.046654 logG= -0.049583 Density= 0.308150 ETOT(band)= -0.189988 trlgG= -0.241781 logG= -0.049583 TDE= -0.400502 logGD-logG0= -0.002465 tlogG= -0.050329 logG= -0.052794 Density= 0.286974 ETOT(band)= -0.206733 trlgG= -0.260399 logG= -0.052794 TDE= -0.401595 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003001 tlogG= -0.044670 logG= -0.047671 Density= 0.308753 ETOT(band)= -0.187862 trlgG= -0.238592 logG= -0.047671 TDE= -0.399633 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002471 tlogG= -0.050431 logG= -0.052902 Density= 0.286986 ETOT(band)= -0.206776 trlgG= -0.260619 logG= -0.052902 TDE= -0.401715 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002682 tlogG= -0.047891 logG= -0.050573 Density= 0.293336 ETOT(band)= -0.200812 trlgG= -0.253366 logG= -0.050573 TDE= -0.401084 logGD-logG0= -0.002474 tlogG= -0.050111 logG= -0.052585 Density= 0.287096 ETOT(band)= -0.206436 trlgG= -0.260151 logG= -0.052585 TDE= -0.401638 logGD-logG0= -0.005727 tlogG= -0.092472 logG= -0.098199 Density= 0.588190 ETOT(band)= -0.398053 trlgG= -0.501288 logG= -0.098199 TDE= -0.800696 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002626 tlogG= -0.048212 logG= -0.050838 Density= 0.292676 ETOT(band)= -0.201439 trlgG= -0.254262 logG= -0.050838 TDE= -0.401268 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005417 tlogG= -0.093956 logG= -0.099374 Density= 0.587294 ETOT(band)= -0.399618 trlgG= -0.503844 logG= -0.099374 TDE= -0.801472 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002498 tlogG= -0.050140 logG= -0.052639 Density= 0.287153 ETOT(band)= -0.206236 trlgG= -0.260234 logG= -0.052639 TDE= -0.401707 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002590 tlogG= -0.046906 logG= -0.049496 logGD-logG0= -0.002526 tlogG= -0.049233 logG= -0.051758 Density= 0.287397 ETOT(band)= -0.205312 trlgG= -0.259029 logG= -0.051758 TDE= -0.401547 Density= 0.288396 ETOT(band)= -0.202650 trlgG= -0.255443 logG= -0.049496 TDE= -0.400899 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002568 tlogG= -0.047830 logG= -0.050398 Density= 0.287821 ETOT(band)= -0.203822 trlgG= -0.256953 logG= -0.050398 TDE= -0.401117 logGD-logG0= -0.002538 tlogG= -0.048441 logG= -0.050979 Density= 0.287746 ETOT(band)= -0.204448 trlgG= -0.257955 logG= -0.050979 TDE= -0.401488 logGD-logG0= -0.002564 tlogG= -0.048506 logG= -0.051070 Density= 0.288623 ETOT(band)= -0.204002 trlgG= -0.257404 logG= -0.051070 TDE= -0.401439 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002557 tlogG= -0.048115 logG= -0.050672 Density= 0.287780 ETOT(band)= -0.204113 trlgG= -0.257425 logG= -0.050672 TDE= -0.401288 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005173 tlogG= -0.094506 logG= -0.099679 Density= 0.576717 ETOT(band)= -0.405986 trlgG= -0.511754 logG= -0.099679 TDE= -0.801926 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002517 tlogG= -0.049042 logG= -0.051559 Density= 0.287536 ETOT(band)= -0.205133 trlgG= -0.258838 logG= -0.051559 TDE= -0.401649 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002489 tlogG= -0.049922 logG= -0.052411 Density= 0.287206 ETOT(band)= -0.206158 trlgG= -0.260004 logG= -0.052411 TDE= -0.401740 logGD-logG0= -0.005107 tlogG= -0.097332 logG= -0.102439 Density= 0.575560 ETOT(band)= -0.409243 trlgG= -0.516282 logG= -0.102439 TDE= -0.802913 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005069 tlogG= -0.098190 logG= -0.103259 Density= 0.574904 ETOT(band)= -0.410334 trlgG= -0.517673 logG= -0.103259 TDE= -0.803040 logGD-logG0= -0.005590 tlogG= -0.089337 logG= -0.094926 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002600 tlogG= -0.047041 logG= -0.049642 Density= 0.289886 ETOT(band)= -0.201920 trlgG= -0.254603 logG= -0.049642 TDE= -0.400920 Density= 0.591935 ETOT(band)= -0.392679 trlgG= -0.494251 logG= -0.094926 TDE= -0.799463 logGD-logG0= -0.005042 tlogG= -0.098357 logG= -0.103399 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.574941 ETOT(band)= -0.410564 trlgG= -0.518063 logG= -0.103399 TDE= -0.803315 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.004991 tlogG= -0.099745 logG= -0.104736 Density= 0.574463 ETOT(band)= -0.412192 trlgG= -0.519938 logG= -0.104736 TDE= -0.803529 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005206 tlogG= -0.093808 logG= -0.099014 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.577935 ETOT(band)= -0.404639 trlgG= -0.509846 logG= -0.099014 TDE= -0.801507 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005936 tlogG= -0.087355 logG= -0.093291 Density= 0.597284 ETOT(band)= -0.387934 trlgG= -0.487912 logG= -0.093291 TDE= -0.798376 logGD-logG0= -0.002514 tlogG= -0.049493 logG= -0.052007 Density= 0.287379 ETOT(band)= -0.205647 trlgG= -0.259489 logG= -0.052007 TDE= -0.401746 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005089 tlogG= -0.097135 logG= -0.102224 Density= 0.575392 ETOT(band)= -0.409187 trlgG= -0.516250 logG= -0.102224 TDE= -0.802982 logGD-logG0= -0.005131 tlogG= -0.096803 logG= -0.101934 Density= 0.576396 ETOT(band)= -0.408248 trlgG= -0.514908 logG= -0.101934 TDE= -0.802608 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002786 tlogG= -0.046664 logG= -0.049449 Density= 0.293899 ETOT(band)= -0.199460 trlgG= -0.251381 logG= -0.049449 TDE= -0.400603 20) Finished k-point 41 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002518 tlogG= -0.049416 logG= -0.051934 Density= 0.287368 ETOT(band)= -0.205520 trlgG= -0.259326 logG= -0.051934 TDE= -0.401648 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005304 tlogG= -0.094686 logG= -0.099990 Density= 0.586273 ETOT(band)= -0.400775 trlgG= -0.505584 logG= -0.099990 TDE= -0.801905 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005464 tlogG= -0.090327 logG= -0.095791 Density= 0.589921 ETOT(band)= -0.394662 trlgG= -0.497085 logG= -0.095791 TDE= -0.800072 22) Finished k-point 45 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.005052 tlogG= -0.098589 logG= -0.103641 Density= 0.574828 ETOT(band)= -0.410782 trlgG= -0.518321 logG= -0.103641 TDE= -0.803255 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000102 tlogG= -0.002093 logG= -0.002194 Density= 0.083629 ETOT(band)= -0.060350 trlgG= -0.075944 logG= -0.002194 TDE= -0.016729 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.001221 tlogG= -0.025144 logG= -0.026365 Density= 0.238972 ETOT(band)= -0.172431 trlgG= -0.217014 logG= -0.026365 TDE= -0.200764 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002496 tlogG= -0.050134 logG= -0.052629 Density= 0.574372 ETOT(band)= -0.412349 trlgG= -0.520293 logG= -0.052629 TDE= -0.401749 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002482 tlogG= -0.050371 logG= -0.052853 Density= 0.574162 ETOT(band)= -0.413109 trlgG= -0.521054 logG= -0.052853 TDE= -0.401788 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000622 tlogG= -0.012589 logG= -0.013211 Density= 0.358895 ETOT(band)= -0.258021 trlgG= -0.325554 logG= -0.013211 TDE= -0.100445 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000854 tlogG= -0.015894 logG= -0.016748 Density= 0.167766 ETOT(band)= -0.119537 trlgG= -0.150771 logG= -0.016748 TDE= -0.133743 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002457 tlogG= -0.050325 logG= -0.052782 Density= 0.382577 ETOT(band)= -0.275684 trlgG= -0.347059 logG= -0.052782 TDE= -0.401489 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003741 tlogG= -0.040211 logG= -0.043951 Density= 0.435588 ETOT(band)= -0.231209 trlgG= -0.293655 logG= -0.043951 TDE= -0.397362 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002492 tlogG= -0.050122 logG= -0.052614 logGD-logG0= -0.000612 tlogG= -0.012587 logG= -0.013199 Density= 0.358516 ETOT(band)= -0.258646 trlgG= -0.325577 logG= -0.013199 TDE= -0.100388 Density= 0.861538 ETOT(band)= -0.618733 trlgG= -0.780551 logG= -0.052614 TDE= -0.401781 logGD-logG0= -0.001280 tlogG= -0.024354 logG= -0.025634 Density= 0.432865 ETOT(band)= -0.306135 trlgG= -0.386283 logG= -0.025634 TDE= -0.200751 57) Finished k-point 116 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000624 tlogG= -0.012565 logG= -0.013189 Density= 0.358934 ETOT(band)= -0.257825 trlgG= -0.325332 logG= -0.013189 TDE= -0.100432 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002487 tlogG= -0.049863 logG= -0.052349 Density= 0.383013 ETOT(band)= -0.274664 trlgG= -0.346393 logG= -0.052349 TDE= -0.401718 logGD-logG0= -0.002450 tlogG= -0.050349 logG= -0.052799 Density= 0.430287 ETOT(band)= -0.310311 trlgG= -0.390621 logG= -0.052799 TDE= -0.401525 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000614 tlogG= -0.012610 logG= -0.013224 Density= 0.358618 ETOT(band)= -0.258605 trlgG= -0.325642 logG= -0.013224 TDE= -0.100396 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002636 tlogG= -0.045973 logG= -0.048608 Density= 0.390904 ETOT(band)= -0.265035 trlgG= -0.334014 logG= -0.048608 TDE= -0.400473 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002896 tlogG= -0.043923 logG= -0.046819 Density= 0.451337 ETOT(band)= -0.290971 trlgG= -0.366820 logG= -0.046819 TDE= -0.399425 logGD-logG0= -0.003125 tlogG= -0.042850 logG= -0.045975 Density= 0.409740 ETOT(band)= -0.250831 trlgG= -0.315568 logG= -0.045975 TDE= -0.398834 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.001239 tlogG= -0.025095 logG= -0.026333 Density= 0.430653 ETOT(band)= -0.309667 trlgG= -0.390332 logG= -0.026333 TDE= -0.200841 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001255 tlogG= -0.024819 logG= -0.026075 Density= 0.431043 ETOT(band)= -0.308554 trlgG= -0.389334 logG= -0.026075 TDE= -0.200885 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002549 tlogG= -0.048859 logG= -0.051408 Density= 0.863274 ETOT(band)= -0.614078 trlgG= -0.774713 logG= -0.051408 TDE= -0.401513 logGD-logG0= -0.002460 tlogG= -0.050379 logG= -0.052840 Density= 0.573903 ETOT(band)= -0.413552 trlgG= -0.520840 logG= -0.052840 TDE= -0.401560 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000617 tlogG= -0.012622 logG= -0.013239 Density= 0.358726 ETOT(band)= -0.258488 trlgG= -0.325791 logG= -0.013239 TDE= -0.100428 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002492 tlogG= -0.049991 logG= -0.052483 Density= 0.861652 ETOT(band)= -0.618427 trlgG= -0.780061 logG= -0.052483 TDE= -0.401776 logGD-logG0= -0.002505 tlogG= -0.049677 logG= -0.052182 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 Density= 0.574593 ETOT(band)= -0.411735 trlgG= -0.519514 logG= -0.052182 TDE= -0.401739 logGD-logG0= -0.002538 tlogG= -0.048559 logG= -0.051097 Density= 0.575161 ETOT(band)= -0.409933 trlgG= -0.517249 logG= -0.051097 TDE= -0.401499 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002473 tlogG= -0.050364 logG= -0.052837 Density= 0.574086 ETOT(band)= -0.413254 trlgG= -0.520930 logG= -0.052837 TDE= -0.401707 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002502 tlogG= -0.050016 logG= -0.052519 logGD-logG0= -0.003072 tlogG= -0.043178 logG= -0.046250 Density= 0.574433 ETOT(band)= -0.412005 trlgG= -0.519878 logG= -0.052519 TDE= -0.401693 Density= 0.633895 ETOT(band)= -0.362255 trlgG= -0.459788 logG= -0.046250 TDE= -0.398924 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002530 tlogG= -0.049267 logG= -0.051798 Density= 0.862309 ETOT(band)= -0.615680 trlgG= -0.776750 logG= -0.051798 TDE= -0.401561 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003002 tlogG= -0.043347 logG= -0.046349 Density= 0.599441 ETOT(band)= -0.389733 trlgG= -0.491029 logG= -0.046349 TDE= -0.399074 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.001460 tlogG= -0.023461 logG= -0.024921 Density= 0.462190 ETOT(band)= -0.285120 trlgG= -0.362879 logG= -0.024921 TDE= -0.200306 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002822 tlogG= -0.045573 logG= -0.048395 Density= 0.590949 ETOT(band)= -0.393857 trlgG= -0.495716 logG= -0.048395 TDE= -0.400140 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.004935 tlogG= -0.100550 logG= -0.105485 Density= 0.861110 ETOT(band)= -0.619751 trlgG= -0.780789 logG= -0.105485 TDE= -0.803177 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005678 tlogG= -0.093956 logG= -0.099634 Density= 1.175908 ETOT(band)= -0.797714 trlgG= -1.004932 logG= -0.099634 TDE= -0.801298 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002957 tlogG= -0.045875 logG= -0.048832 Density= 0.617121 ETOT(band)= -0.377030 trlgG= -0.479142 logG= -0.048832 TDE= -0.400170 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002647 tlogG= -0.045806 logG= -0.048454 Density= 0.584770 ETOT(band)= -0.400698 trlgG= -0.505101 logG= -0.048454 TDE= -0.400286 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006515 tlogG= -0.084389 logG= -0.090904 Density= 0.924310 ETOT(band)= -0.561145 trlgG= -0.705142 logG= -0.090904 TDE= -0.796873 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002621 tlogG= -0.046226 logG= -0.048847 Density= 0.582425 ETOT(band)= -0.402679 trlgG= -0.507784 logG= -0.048847 TDE= -0.400541 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005377 tlogG= -0.095315 logG= -0.100691 Density= 1.174120 ETOT(band)= -0.800734 trlgG= -1.009848 logG= -0.100691 TDE= -0.801998 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005028 tlogG= -0.099306 logG= -0.104333 Density= 0.861965 ETOT(band)= -0.616801 trlgG= -0.778237 logG= -0.104333 TDE= -0.803274 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002522 tlogG= -0.049075 logG= -0.051597 Density= 0.575269 ETOT(band)= -0.409620 trlgG= -0.516850 logG= -0.051597 TDE= -0.401658 logGD-logG0= -0.005130 tlogG= -0.096208 logG= -0.101338 Density= 1.152678 ETOT(band)= -0.813969 trlgG= -1.026293 logG= -0.101338 TDE= -0.802542 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002522 tlogG= -0.049459 logG= -0.051981 Density= 0.862196 ETOT(band)= -0.616348 trlgG= -0.777713 logG= -0.051981 TDE= -0.401667 logGD-logG0= -0.002577 tlogG= -0.047925 logG= -0.050502 Density= 0.578947 ETOT(band)= -0.405133 trlgG= -0.510950 logG= -0.050502 TDE= -0.401245 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005093 tlogG= -0.097183 logG= -0.102277 Density= 0.862995 ETOT(band)= -0.613100 trlgG= -0.773162 logG= -0.102277 TDE= -0.802741 logGD-logG0= -0.005074 tlogG= -0.097653 logG= -0.102728 Density= 0.862883 ETOT(band)= -0.613891 trlgG= -0.774407 logG= -0.102728 TDE= -0.803015 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.004963 tlogG= -0.100344 logG= -0.105307 Density= 0.861417 ETOT(band)= -0.619072 trlgG= -0.780599 logG= -0.105307 TDE= -0.803445 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005006 tlogG= -0.099084 logG= -0.104089 Density= 0.862245 ETOT(band)= -0.616555 trlgG= -0.777902 logG= -0.104089 TDE= -0.803468 logGD-logG0= -0.005024 tlogG= -0.099178 logG= -0.104202 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 1.149615 ETOT(band)= -0.822041 trlgG= -1.037274 logG= -0.104202 TDE= -0.803480 38) Finished k-point 78 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002763 tlogG= -0.047372 logG= -0.050136 Density= 0.587571 ETOT(band)= -0.399692 trlgG= -0.503883 logG= -0.050136 TDE= -0.400883 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005485 tlogG= -0.091875 logG= -0.097360 Density= 1.180043 ETOT(band)= -0.789932 trlgG= -0.994670 logG= -0.097360 TDE= -0.800611 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005159 tlogG= -0.095618 logG= -0.100777 Density= 1.154848 ETOT(band)= -0.811516 trlgG= -1.022838 logG= -0.100777 TDE= -0.802200 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005125 tlogG= -0.095626 logG= -0.100751 Density= 0.864325 ETOT(band)= -0.610128 trlgG= -0.769368 logG= -0.100751 TDE= -0.802493 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005069 tlogG= -0.098136 logG= -0.103205 Density= 1.150460 ETOT(band)= -0.819488 trlgG= -1.033986 logG= -0.103205 TDE= -0.803268 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005265 tlogG= -0.095975 logG= -0.101240 Density= 1.171867 ETOT(band)= -0.803109 trlgG= -1.013351 logG= -0.101240 TDE= -0.802379 logGD-logG0= -0.002561 tlogG= -0.048605 logG= -0.051166 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.864510 ETOT(band)= -0.612603 trlgG= -0.772680 logG= -0.051166 TDE= -0.401367 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005805 tlogG= -0.090175 logG= -0.095980 Density= 1.186394 ETOT(band)= -0.783358 trlgG= -0.985355 logG= -0.095980 TDE= -0.799693 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005014 tlogG= -0.099607 logG= -0.104621 Density= 0.861875 ETOT(band)= -0.617380 trlgG= -0.779019 logG= -0.104621 TDE= -0.803430 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005369 tlogG= -0.092723 logG= -0.098092 Density= 1.177236 ETOT(band)= -0.793047 trlgG= -0.999293 logG= -0.098092 TDE= -0.801131 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Sum of eigenvalues= -386.365126756250 eV TrLogG= -486.965288214324 eV Ratio to renormalize= 1.000802515904 rho-rho_expected=-0.032876767954 nargs= 1 argi=dmft2.def 2) Finished k-point number 5 1 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 14) Finished k-point number 29 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 50) Finished k-point number 102 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 52) Finished k-point number 105 1 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 52) Finished k-point number 106 2 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 26) Finished k-point number 54 2 with #bands= 19 18) Finished k-point number 37 1 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 41) Finished k-point number 83 1 with #bands= 19 9) Finished k-point number 20 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 36) Finished k-point number 73 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 59) Finished k-point number 119 1 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 33) Finished k-point number 67 1 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 59) Finished k-point number 120 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 35) Finished k-point number 72 2 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 34) Finished k-point number 70 2 with #bands= 19 20) Finished k-point number 41 1 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 43) Finished k-point number 88 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 17) Finished k-point number 36 2 with #bands= 19 47) Finished k-point number 95 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 21) Finished k-point number 44 2 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 16) Finished k-point number 34 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.863181288102828 0.870387571257882 0.848377336021878 4) Finished k-point number 9 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 7) Finished k-point number 15 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 1) Finished k-point number 3 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 21) Finished k-point number 43 1 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 15) Finished k-point number 31 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 8) Finished k-point number 17 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 16) Finished k-point number 33 1 with #bands= 19 40) Finished k-point number 81 1 with #bands= 19 41) Finished k-point number 83 1 with #bands= 19 19) Finished k-point number 39 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 1) Finished k-point number 4 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 10) Finished k-point number 22 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 11) Finished k-point number 24 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 42) Finished k-point number 86 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 22) Finished k-point number 46 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 18) Finished k-point number 38 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 55) Finished k-point number 112 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 50) Finished k-point number 102 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 16) Finished k-point number 34 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 45) Finished k-point number 92 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 49) Finished k-point number 100 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 9.19723568177056 Density= 40.9336647314163 41.0000000000000 EF 9.46934951388414 Density= 41.3499164003751 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.69598441 0.67598441 0.349916 -0.663353E-01 1 0.68598441 0.67598443 0.119410 -0.663353E-01 2 0.68098442 0.68598419 -0.277483E-02 0.119410 3 0.68109797 0.68598419 -0.103329E-02 0.119410 4 0.68116476 0.68598419 -0.407225E-05 0.119410 5 0.68116502 0.68598419 -0.640246E-08 0.119410 6 0.68116502 0.68598419 -0.568434E-13 0.119410 Absolute convergence of |F(X)|. Difference in EF too large to mix 7.048577478461948E-002 cutoff= 2.9999999E-02 Difference in EF= 0.0704857748 EF set to : 9.2677214566 new EF (no-mixing): 9.2677214566 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.000648 tlogG= -0.012772 logG= -0.013420 Density= 0.071861 ETOT(band)= -0.051598 trlgG= -0.065330 logG= -0.013420 TDE= -0.100859 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000850 tlogG= -0.016977 logG= -0.017827 Density= 0.095717 ETOT(band)= -0.068873 trlgG= -0.086958 logG= -0.017827 TDE= -0.134330 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002628 tlogG= -0.050363 logG= -0.052990 Density= 0.287738 ETOT(band)= -0.205568 trlgG= -0.260443 logG= -0.052990 TDE= -0.403449 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000858 tlogG= -0.016959 logG= -0.017817 Density= 0.095797 ETOT(band)= -0.068784 trlgG= -0.086955 logG= -0.017817 TDE= -0.134391 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001314 tlogG= -0.013420 logG= -0.014734 Density= 0.111952 ETOT(band)= -0.055508 trlgG= -0.071408 logG= -0.014734 TDE= -0.132932 logGD-logG0= -0.002600 tlogG= -0.050906 logG= -0.053506 Density= 0.287518 ETOT(band)= -0.206185 trlgG= -0.261103 logG= -0.053506 TDE= -0.403444 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002654 tlogG= -0.049874 logG= -0.052528 Density= 0.287947 ETOT(band)= -0.205002 trlgG= -0.259748 logG= -0.052528 TDE= -0.403360 37) Finished k-point 75 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001149 tlogG= -0.014096 logG= -0.015244 logGD-logG0= -0.002628 tlogG= -0.050428 logG= -0.053056 Density= 0.287691 ETOT(band)= -0.205563 trlgG= -0.260438 logG= -0.053056 TDE= -0.403347 Density= 0.101951 ETOT(band)= -0.062735 trlgG= -0.079082 logG= -0.015244 TDE= -0.133284 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005224 tlogG= -0.101270 logG= -0.106493 Density= 0.575249 ETOT(band)= -0.411755 trlgG= -0.521558 logG= -0.106493 TDE= -0.806904 logGD-logG0= -0.002614 tlogG= -0.050769 logG= -0.053383 Density= 0.287583 ETOT(band)= -0.205913 trlgG= -0.260875 logG= -0.053383 TDE= -0.403383 logGD-logG0= -0.000874 tlogG= -0.016708 logG= -0.017582 Density= 0.095941 ETOT(band)= -0.068445 trlgG= -0.086697 logG= -0.017582 TDE= -0.134467 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000636 tlogG= -0.012721 logG= -0.013357 Density= 0.071775 ETOT(band)= -0.051656 trlgG= -0.065211 logG= -0.013357 TDE= -0.100745 logGD-logG0= -0.000953 tlogG= -0.015170 logG= -0.016123 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.098546 ETOT(band)= -0.065519 trlgG= -0.082871 logG= -0.016123 TDE= -0.133874 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 25 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002607 tlogG= -0.050878 logG= -0.053485 Density= 0.287547 ETOT(band)= -0.206075 trlgG= -0.261052 logG= -0.053485 TDE= -0.403434 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002621 tlogG= -0.050568 logG= -0.053189 Density= 0.287654 ETOT(band)= -0.205746 trlgG= -0.260669 logG= -0.053189 TDE= -0.403419 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.003588 tlogG= -0.041562 logG= -0.045150 Density= 0.312356 ETOT(band)= -0.183264 trlgG= -0.231801 logG= -0.045150 TDE= -0.399418 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002904 tlogG= -0.047873 logG= -0.050777 Density= 0.293705 ETOT(band)= -0.200009 trlgG= -0.253150 logG= -0.050777 TDE= -0.402434 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002555 tlogG= -0.050977 logG= -0.053532 Density= 0.287194 ETOT(band)= -0.206617 trlgG= -0.260916 logG= -0.053532 TDE= -0.403011 logGD-logG0= -0.002590 tlogG= -0.050739 logG= -0.053329 Density= 0.287510 ETOT(band)= -0.206123 trlgG= -0.260807 logG= -0.053329 TDE= -0.403319 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002874 tlogG= -0.047301 logG= -0.050175 logGD-logG0= -0.002985 tlogG= -0.044885 logG= -0.047870 Density= 0.295855 ETOT(band)= -0.196016 trlgG= -0.247559 logG= -0.047870 TDE= -0.401215 Density= 0.293442 ETOT(band)= -0.199633 trlgG= -0.252577 logG= -0.050175 TDE= -0.402285 logGD-logG0= -0.003078 tlogG= -0.045384 logG= -0.048462 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 Density= 0.308547 ETOT(band)= -0.187866 trlgG= -0.239678 logG= -0.048462 TDE= -0.401387 20) Finished k-point 41 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002994 tlogG= -0.047364 logG= -0.050358 Density= 0.307843 ETOT(band)= -0.190045 trlgG= -0.242922 logG= -0.050358 TDE= -0.402256 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003437 tlogG= -0.042322 logG= -0.045758 Density= 0.319830 ETOT(band)= -0.178711 trlgG= -0.227776 logG= -0.045758 TDE= -0.399875 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002577 tlogG= -0.050956 logG= -0.053533 Density= 0.287371 ETOT(band)= -0.206428 trlgG= -0.261004 logG= -0.053533 TDE= -0.403218 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001282 tlogG= -0.025490 logG= -0.026772 Density= 0.143635 ETOT(band)= -0.103275 trlgG= -0.130461 logG= -0.026772 TDE= -0.201528 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002731 tlogG= -0.048846 logG= -0.051577 Density= 0.291300 ETOT(band)= -0.202148 trlgG= -0.256103 logG= -0.051577 TDE= -0.402950 logGD-logG0= -0.002567 tlogG= -0.051041 logG= -0.053608 Density= 0.287288 ETOT(band)= -0.206573 trlgG= -0.261066 logG= -0.053608 TDE= -0.403149 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005887 tlogG= -0.093749 logG= -0.099636 Density= 0.588351 ETOT(band)= -0.397660 trlgG= -0.502933 logG= -0.099636 TDE= -0.804061 logGD-logG0= -0.002582 tlogG= -0.051059 logG= -0.053641 Density= 0.287388 ETOT(band)= -0.206468 trlgG= -0.261216 logG= -0.053641 TDE= -0.403334 logGD-logG0= -0.002595 tlogG= -0.050732 logG= -0.053327 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.287531 ETOT(band)= -0.206094 trlgG= -0.260841 logG= -0.053327 TDE= -0.403370 logGD-logG0= -0.002735 tlogG= -0.047542 logG= -0.050277 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.288935 ETOT(band)= -0.202284 trlgG= -0.256045 logG= -0.050277 TDE= -0.402581 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002775 tlogG= -0.048526 logG= -0.051300 Density= 0.292543 ETOT(band)= -0.201181 trlgG= -0.254796 logG= -0.051300 TDE= -0.402766 logGD-logG0= -0.002701 tlogG= -0.048463 logG= -0.051164 Density= 0.288350 ETOT(band)= -0.203450 trlgG= -0.257549 logG= -0.051164 TDE= -0.402799 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002648 tlogG= -0.049863 logG= -0.052511 Density= 0.287868 ETOT(band)= -0.204968 trlgG= -0.259654 logG= -0.052511 TDE= -0.403228 logGD-logG0= -0.005712 tlogG= -0.091607 logG= -0.097319 logGD-logG0= -0.005615 tlogG= -0.095228 logG= -0.100843 Density= 0.585914 ETOT(band)= -0.400246 trlgG= -0.506575 logG= -0.100843 TDE= -0.804836 Density= 0.587972 ETOT(band)= -0.395666 trlgG= -0.500249 logG= -0.097319 TDE= -0.803436 logGD-logG0= -0.002593 tlogG= -0.050887 logG= -0.053480 Density= 0.287481 ETOT(band)= -0.206248 trlgG= -0.261047 logG= -0.053480 TDE= -0.403388 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 22) Finished k-point 45 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002690 tlogG= -0.049139 logG= -0.051829 Density= 0.288629 ETOT(band)= -0.203932 trlgG= -0.258345 logG= -0.051829 TDE= -0.403120 logGD-logG0= -0.002670 tlogG= -0.049075 logG= -0.051745 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002644 tlogG= -0.049674 logG= -0.052319 Density= 0.288244 ETOT(band)= -0.204097 trlgG= -0.258573 logG= -0.051745 TDE= -0.403170 Density= 0.288010 ETOT(band)= -0.204793 trlgG= -0.259467 logG= -0.052319 TDE= -0.403331 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005383 tlogG= -0.098068 logG= -0.103451 Density= 0.576890 ETOT(band)= -0.407828 trlgG= -0.516466 logG= -0.103451 TDE= -0.805972 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005449 tlogG= -0.095776 logG= -0.101226 Density= 0.577567 ETOT(band)= -0.405375 trlgG= -0.513097 logG= -0.101226 TDE= -0.805290 logGD-logG0= -0.001419 tlogG= -0.024125 logG= -0.025544 Density= 0.146545 ETOT(band)= -0.100345 trlgG= -0.127050 logG= -0.025544 TDE= -0.201327 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005314 tlogG= -0.099452 logG= -0.104766 Density= 0.575851 ETOT(band)= -0.409642 trlgG= -0.518920 logG= -0.104766 TDE= -0.806404 logGD-logG0= -0.005291 tlogG= -0.099619 logG= -0.104911 Density= 0.575880 ETOT(band)= -0.409883 trlgG= -0.519320 logG= -0.104911 TDE= -0.806679 logGD-logG0= -0.005358 tlogG= -0.098597 logG= -0.103955 Density= 0.576433 ETOT(band)= -0.408600 trlgG= -0.517585 logG= -0.103955 TDE= -0.806276 logGD-logG0= -0.005522 tlogG= -0.095957 logG= -0.101479 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.583831 ETOT(band)= -0.402024 trlgG= -0.509063 logG= -0.101479 TDE= -0.805269 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002640 tlogG= -0.050046 logG= -0.052686 Density= 0.287831 ETOT(band)= -0.205181 trlgG= -0.259956 logG= -0.052686 TDE= -0.403330 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002607 tlogG= -0.050551 logG= -0.053159 Density= 0.287638 ETOT(band)= -0.205836 trlgG= -0.260651 logG= -0.053159 TDE= -0.403422 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006140 tlogG= -0.088643 logG= -0.094783 Density= 0.598334 ETOT(band)= -0.386870 trlgG= -0.488960 logG= -0.094783 TDE= -0.801740 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.005821 tlogG= -0.090618 logG= -0.096439 Density= 0.590088 ETOT(band)= -0.393621 trlgG= -0.497318 logG= -0.096439 TDE= -0.802827 logGD-logG0= -0.002689 tlogG= -0.048748 logG= -0.051437 Density= 0.288297 ETOT(band)= -0.203748 trlgG= -0.258029 logG= -0.051437 TDE= -0.402970 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.005347 tlogG= -0.098401 logG= -0.103748 Density= 0.576375 ETOT(band)= -0.408484 trlgG= -0.517487 logG= -0.103748 TDE= -0.806346 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005482 tlogG= -0.095079 logG= -0.100561 logGD-logG0= -0.002636 tlogG= -0.050123 logG= -0.052759 Density= 0.287833 ETOT(band)= -0.205313 trlgG= -0.260125 logG= -0.052759 TDE= -0.403428 Density= 0.578188 ETOT(band)= -0.404377 trlgG= -0.511590 logG= -0.100561 TDE= -0.804871 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005296 tlogG= -0.099850 logG= -0.105146 Density= 0.575759 ETOT(band)= -0.410099 trlgG= -0.519578 logG= -0.105146 TDE= -0.806618 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005228 tlogG= -0.101004 logG= -0.106232 Density= 0.575332 ETOT(band)= -0.411544 trlgG= -0.521229 logG= -0.106232 TDE= -0.806893 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002737 tlogG= -0.047677 logG= -0.050415 Density= 0.289492 ETOT(band)= -0.202093 trlgG= -0.255825 logG= -0.050415 TDE= -0.402602 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000106 tlogG= -0.002119 logG= -0.002225 Density= 0.083736 ETOT(band)= -0.060266 trlgG= -0.076078 logG= -0.002225 TDE= -0.016790 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.000900 tlogG= -0.016106 logG= -0.017006 Density= 0.168045 ETOT(band)= -0.119337 trlgG= -0.151122 logG= -0.017006 TDE= -0.134303 logGD-logG0= -0.000652 tlogG= -0.012722 logG= -0.013375 Density= 0.359470 ETOT(band)= -0.257422 trlgG= -0.326131 logG= -0.013375 TDE= -0.100849 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001274 tlogG= -0.025457 logG= -0.026730 Density= 0.239280 ETOT(band)= -0.172188 trlgG= -0.217394 logG= -0.026730 TDE= -0.201496 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000651 tlogG= -0.012746 logG= -0.013397 Density= 0.359425 ETOT(band)= -0.257622 trlgG= -0.326347 logG= -0.013397 TDE= -0.100858 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002596 tlogG= -0.050999 logG= -0.053595 Density= 0.574996 ETOT(band)= -0.412477 trlgG= -0.522314 logG= -0.053595 TDE= -0.403437 logGD-logG0= -0.002608 tlogG= -0.050751 logG= -0.053359 Density= 0.862830 ETOT(band)= -0.617765 trlgG= -0.782488 logG= -0.053359 TDE= -0.403461 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002566 tlogG= -0.050952 logG= -0.053518 Density= 0.383098 ETOT(band)= -0.275281 trlgG= -0.347832 logG= -0.053518 TDE= -0.403059 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002612 tlogG= -0.050762 logG= -0.053374 Density= 0.575241 ETOT(band)= -0.411698 trlgG= -0.521577 logG= -0.053374 TDE= -0.403428 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000638 tlogG= -0.012743 logG= -0.013381 Density= 0.358986 ETOT(band)= -0.258277 trlgG= -0.326150 logG= -0.013381 TDE= -0.100755 57) Finished k-point 116 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003750 tlogG= -0.040936 logG= -0.044686 Density= 0.432994 ETOT(band)= -0.232509 trlgG= -0.296527 logG= -0.044686 TDE= -0.399116 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.001342 tlogG= -0.024670 logG= -0.026012 Density= 0.432895 ETOT(band)= -0.306018 trlgG= -0.387680 logG= -0.026012 TDE= -0.201592 logGD-logG0= -0.000645 tlogG= -0.012779 logG= -0.013423 Density= 0.359226 ETOT(band)= -0.258104 trlgG= -0.326536 logG= -0.013423 TDE= -0.100831 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003194 tlogG= -0.043495 logG= -0.046689 Density= 0.406585 ETOT(band)= -0.252530 trlgG= -0.318781 logG= -0.046689 TDE= -0.400516 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000641 tlogG= -0.012767 logG= -0.013408 Density= 0.359102 ETOT(band)= -0.258229 trlgG= -0.326339 logG= -0.013408 TDE= -0.100783 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002605 tlogG= -0.050492 logG= -0.053098 Density= 0.383593 ETOT(band)= -0.274234 trlgG= -0.347256 logG= -0.053098 TDE= -0.403399 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005160 tlogG= -0.101805 logG= -0.106965 Density= 0.862327 ETOT(band)= -0.618824 trlgG= -0.782719 logG= -0.106965 TDE= -0.806493 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002625 tlogG= -0.050307 logG= -0.052932 Density= 0.575488 ETOT(band)= -0.411073 trlgG= -0.520790 logG= -0.052932 TDE= -0.403421 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001315 tlogG= -0.025135 logG= -0.026450 Density= 0.431722 ETOT(band)= -0.308054 trlgG= -0.390288 logG= -0.026450 TDE= -0.201726 logGD-logG0= -0.002781 tlogG= -0.046611 logG= -0.049392 Density= 0.389053 ETOT(band)= -0.266044 trlgG= -0.336534 logG= -0.049392 TDE= -0.402155 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.001492 tlogG= -0.023816 logG= -0.025307 logGD-logG0= -0.002669 tlogG= -0.049192 logG= -0.051861 Density= 0.461724 ETOT(band)= -0.285209 trlgG= -0.364594 logG= -0.025307 TDE= -0.201183 Density= 0.576125 ETOT(band)= -0.409239 trlgG= -0.518493 logG= -0.051861 TDE= -0.403181 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002674 tlogG= -0.049491 logG= -0.052165 Density= 0.864582 ETOT(band)= -0.613113 trlgG= -0.776668 logG= -0.052165 TDE= -0.403195 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.003087 tlogG= -0.043991 logG= -0.047078 Density= 0.596711 ETOT(band)= -0.391090 trlgG= -0.494587 logG= -0.047078 TDE= -0.400756 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002619 tlogG= -0.050645 logG= -0.053264 Density= 0.575314 ETOT(band)= -0.411348 trlgG= -0.521157 logG= -0.053264 TDE= -0.403374 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002570 tlogG= -0.051007 logG= -0.053577 Density= 0.574692 ETOT(band)= -0.412944 trlgG= -0.522032 logG= -0.053577 TDE= -0.403164 logGD-logG0= -0.002558 tlogG= -0.050975 logG= -0.053533 Density= 0.430859 ETOT(band)= -0.309865 trlgG= -0.391350 logG= -0.053533 TDE= -0.403003 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002847 tlogG= -0.048008 logG= -0.050855 Density= 0.586621 ETOT(band)= -0.400056 trlgG= -0.506295 logG= -0.050855 TDE= -0.402565 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002918 tlogG= -0.046212 logG= -0.049131 Density= 0.589766 ETOT(band)= -0.394389 trlgG= -0.498310 logG= -0.049131 TDE= -0.401822 logGD-logG0= -0.003026 tlogG= -0.046587 logG= -0.049613 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.616640 ETOT(band)= -0.377074 trlgG= -0.481352 logG= -0.049613 TDE= -0.401924 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002652 tlogG= -0.049898 logG= -0.052550 Density= 0.863723 ETOT(band)= -0.614645 trlgG= -0.778625 logG= -0.052550 TDE= -0.403243 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002995 tlogG= -0.044566 logG= -0.047561 Density= 0.447943 ETOT(band)= -0.292822 trlgG= -0.370417 logG= -0.047561 TDE= -0.401107 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.006630 tlogG= -0.085686 logG= -0.092316 Density= 0.924899 ETOT(band)= -0.559708 trlgG= -0.707114 logG= -0.092316 TDE= -0.800238 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002790 tlogG= -0.046444 logG= -0.049234 Density= 0.583240 ETOT(band)= -0.401445 trlgG= -0.507985 logG= -0.049234 TDE= -0.401968 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005828 tlogG= -0.095230 logG= -0.101058 Density= 1.175975 ETOT(band)= -0.797089 trlgG= -1.008386 logG= -0.101058 TDE= -0.804663 logGD-logG0= -0.002586 tlogG= -0.050991 logG= -0.053577 Density= 0.574905 ETOT(band)= -0.412631 trlgG= -0.522186 logG= -0.053577 TDE= -0.403345 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002767 tlogG= -0.046863 logG= -0.049631 Density= 0.581069 ETOT(band)= -0.403329 trlgG= -0.510577 logG= -0.049631 TDE= -0.402223 logGD-logG0= -0.002643 tlogG= -0.050089 logG= -0.052732 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.863587 ETOT(band)= -0.615327 trlgG= -0.779601 logG= -0.052732 TDE= -0.403349 logGD-logG0= -0.002609 tlogG= -0.050620 logG= -0.053229 Density= 0.862950 ETOT(band)= -0.617458 trlgG= -0.782000 logG= -0.053229 TDE= -0.403457 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001296 tlogG= -0.025409 logG= -0.026705 Density= 0.431276 ETOT(band)= -0.309196 trlgG= -0.391311 logG= -0.026705 TDE= -0.201679 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005565 tlogG= -0.096584 logG= -0.102149 Density= 1.171208 ETOT(band)= -0.802069 trlgG= -1.015404 logG= -0.102149 TDE= -0.805362 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005266 tlogG= -0.100565 logG= -0.105831 Density= 0.863338 ETOT(band)= -0.615788 trlgG= -0.780132 logG= -0.105831 TDE= -0.806638 logGD-logG0= -0.005347 tlogG= -0.098447 logG= -0.103794 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.864512 ETOT(band)= -0.612016 trlgG= -0.774986 logG= -0.103794 TDE= -0.806104 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002685 tlogG= -0.049237 logG= -0.051922 Density= 0.865260 ETOT(band)= -0.611966 trlgG= -0.775009 logG= -0.051922 TDE= -0.403049 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003158 tlogG= -0.043895 logG= -0.047053 Density= 0.630936 ETOT(band)= -0.363728 trlgG= -0.463592 logG= -0.047053 TDE= -0.400678 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005250 tlogG= -0.100345 logG= -0.105595 Density= 0.863618 ETOT(band)= -0.615554 trlgG= -0.779809 logG= -0.105595 TDE= -0.806832 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005392 tlogG= -0.097474 logG= -0.102866 Density= 1.154408 ETOT(band)= -0.812719 trlgG= -1.028945 logG= -0.102866 TDE= -0.805906 logGD-logG0= -0.002648 tlogG= -0.049707 logG= -0.052355 Density= 0.576238 ETOT(band)= -0.408927 trlgG= -0.518096 logG= -0.052355 TDE= -0.403340 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005477 tlogG= -0.097243 logG= -0.102720 Density= 1.166747 ETOT(band)= -0.805735 trlgG= -1.020463 logG= -0.102720 TDE= -0.805743 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005398 tlogG= -0.096895 logG= -0.102293 Density= 0.865903 ETOT(band)= -0.609038 trlgG= -0.771184 logG= -0.102293 TDE= -0.805856 logGD-logG0= -0.005252 tlogG= -0.100865 logG= -0.106117 Density= 0.863227 ETOT(band)= -0.616380 trlgG= -0.780927 logG= -0.106117 TDE= -0.806794 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005193 tlogG= -0.101601 logG= -0.106794 Density= 0.862683 ETOT(band)= -0.618119 trlgG= -0.782548 logG= -0.106794 TDE= -0.806803 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005600 tlogG= -0.093998 logG= -0.099598 Density= 1.173229 ETOT(band)= -0.795090 trlgG= -1.005684 logG= -0.099598 TDE= -0.804495 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005265 tlogG= -0.100438 logG= -0.105703 Density= 1.151457 ETOT(band)= -0.820693 trlgG= -1.039804 logG= -0.105703 TDE= -0.806844 38) Finished k-point 78 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005327 tlogG= -0.098917 logG= -0.104243 Density= 0.864371 ETOT(band)= -0.612825 trlgG= -0.776250 logG= -0.104243 TDE= -0.806379 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005318 tlogG= -0.099400 logG= -0.104717 Density= 1.152391 ETOT(band)= -0.818097 trlgG= -1.036473 logG= -0.104717 TDE= -0.806631 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005698 tlogG= -0.093151 logG= -0.098849 Density= 1.177028 ETOT(band)= -0.791394 trlgG= -1.000339 logG= -0.098849 TDE= -0.803974 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005983 tlogG= -0.091457 logG= -0.097440 Density= 1.188327 ETOT(band)= -0.781437 trlgG= -0.987574 logG= -0.097440 TDE= -0.803057 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005419 tlogG= -0.096886 logG= -0.102305 Density= 1.155532 ETOT(band)= -0.810877 trlgG= -1.026192 logG= -0.102305 TDE= -0.805563 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002707 tlogG= -0.048559 logG= -0.051266 Density= 0.578425 ETOT(band)= -0.405318 trlgG= -0.513207 logG= -0.051266 TDE= -0.402927 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Sum of eigenvalues= -386.179870288559 eV TrLogG= -488.713649714116 eV Ratio to renormalize= 1.000743601634 rho-rho_expected=-0.030465013180 nargs= 1 argi=dmft2.def 9) Finished k-point number 19 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 39) Finished k-point number 79 1 with #bands= 19 38) Finished k-point number 78 2 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 40) Finished k-point number 82 2 with #bands= 19 39) Finished k-point number 80 2 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 21) Finished k-point number 43 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 59) Finished k-point number 120 2 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 12) Finished k-point number 26 2 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 23) Finished k-point number 47 1 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 14) Finished k-point number 30 2 with #bands= 19 42) Finished k-point number 85 1 with #bands= 19 50) Finished k-point number 101 1 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 52) Finished k-point number 106 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 55) Finished k-point number 111 1 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 2) Finished k-point number 5 1 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 43) Finished k-point number 87 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 15) Finished k-point number 31 1 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 15) Finished k-point number 32 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 49) Finished k-point number 99 1 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 6) Finished k-point number 13 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 0) Finished k-point number 1 1 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.863293171436196 0.870494933715992 0.848500955823551 4) Finished k-point number 9 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 58) Finished k-point number 117 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 5) Finished k-point number 11 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 59) Finished k-point number 119 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 1) Finished k-point number 3 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 2) Finished k-point number 5 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 39) Finished k-point number 79 1 with #bands= 19 3) Finished k-point number 7 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 31) Finished k-point number 63 1 with #bands= 19 21) Finished k-point number 43 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 3) Finished k-point number 8 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 1) Finished k-point number 4 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 55) Finished k-point number 112 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 30) Finished k-point number 62 2 with #bands= 19 50) Finished k-point number 102 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 12) Finished k-point number 26 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 26) Finished k-point number 54 2 with #bands= 19 37) Finished k-point number 76 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 16) Finished k-point number 34 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 33) Finished k-point number 68 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 47) Finished k-point number 96 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 9.26772145655518 Density= 41.0114413002642 41.0000000000000 EF 8.99560762444160 Density= 40.6913500203785 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.68116502 0.66116502 0.114413E-01 -0.308650 1 0.68045015 0.66116502 0.213469E-03 -0.308650 2 0.68043656 0.66116502 0.311776E-05 -0.308650 3 0.68043636 0.66116502 0.106996E-08 -0.308650 4 0.68043636 0.68043636 -0.478245E-09 0.106996E-08 5 0.68043636 0.68043636 0.106996E-08 -0.478245E-09 6 0.68043636 0.68043636 0.106996E-08 -0.478245E-09 Absolute convergence of the X interval. Difference in EF= -0.0099139348 EF set to : 9.2578075218 new EF (no-mixing): 9.2578075218 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.002600 tlogG= -0.050820 logG= -0.053420 Density= 0.287515 ETOT(band)= -0.206240 trlgG= -0.261072 logG= -0.053420 TDE= -0.403288 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001314 tlogG= -0.013389 logG= -0.014703 Density= 0.111952 ETOT(band)= -0.055535 trlgG= -0.071405 logG= -0.014703 TDE= -0.132878 logGD-logG0= -0.002654 tlogG= -0.049787 logG= -0.052442 Density= 0.287944 ETOT(band)= -0.205057 trlgG= -0.259716 logG= -0.052442 TDE= -0.403203 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 37) Finished k-point 75 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001149 tlogG= -0.014065 logG= -0.015213 Density= 0.101951 ETOT(band)= -0.062755 trlgG= -0.079071 logG= -0.015213 TDE= -0.133229 logGD-logG0= -0.002629 tlogG= -0.050341 logG= -0.052970 Density= 0.287688 ETOT(band)= -0.205617 trlgG= -0.260406 logG= -0.052970 TDE= -0.403189 logGD-logG0= -0.000859 tlogG= -0.016930 logG= -0.017789 Density= 0.095796 ETOT(band)= -0.068803 trlgG= -0.086945 logG= -0.017789 TDE= -0.134339 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002622 tlogG= -0.050481 logG= -0.053103 Density= 0.287651 ETOT(band)= -0.205801 trlgG= -0.260637 logG= -0.053103 TDE= -0.403262 logGD-logG0= -0.000953 tlogG= -0.015140 logG= -0.016093 Density= 0.098542 ETOT(band)= -0.065540 trlgG= -0.082862 logG= -0.016093 TDE= -0.133821 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002615 tlogG= -0.050682 logG= -0.053296 Density= 0.287581 ETOT(band)= -0.205967 trlgG= -0.260842 logG= -0.053296 TDE= -0.403226 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000874 tlogG= -0.016680 logG= -0.017554 Density= 0.095941 ETOT(band)= -0.068463 trlgG= -0.086687 logG= -0.017554 TDE= -0.134414 logGD-logG0= -0.001282 tlogG= -0.025447 logG= -0.026730 Density= 0.143634 ETOT(band)= -0.103303 trlgG= -0.130447 logG= -0.026730 TDE= -0.201451 logGD-logG0= -0.000648 tlogG= -0.012751 logG= -0.013399 Density= 0.071860 ETOT(band)= -0.051612 trlgG= -0.065322 logG= -0.013399 TDE= -0.100820 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002608 tlogG= -0.050791 logG= -0.053399 Density= 0.287545 ETOT(band)= -0.206129 trlgG= -0.261020 logG= -0.053399 TDE= -0.403277 logGD-logG0= -0.002628 tlogG= -0.050276 logG= -0.052904 Density= 0.287735 ETOT(band)= -0.205623 trlgG= -0.260411 logG= -0.052904 TDE= -0.403292 logGD-logG0= -0.003588 tlogG= -0.041469 logG= -0.045057 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000636 tlogG= -0.012699 logG= -0.013336 Density= 0.071774 ETOT(band)= -0.051670 trlgG= -0.065204 logG= -0.013336 TDE= -0.100706 Density= 0.312549 ETOT(band)= -0.183197 trlgG= -0.231643 logG= -0.045057 TDE= -0.399255 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 25 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002556 tlogG= -0.050892 logG= -0.053447 Density= 0.287192 ETOT(band)= -0.206673 trlgG= -0.260889 logG= -0.053447 TDE= -0.402858 logGD-logG0= -0.000850 tlogG= -0.016948 logG= -0.017799 Density= 0.095717 ETOT(band)= -0.068891 trlgG= -0.086949 logG= -0.017799 TDE= -0.134279 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002905 tlogG= -0.047783 logG= -0.050689 logGD-logG0= -0.003437 tlogG= -0.042230 logG= -0.045667 Density= 0.293725 ETOT(band)= -0.200050 trlgG= -0.253102 logG= -0.050689 TDE= -0.402274 Density= 0.319829 ETOT(band)= -0.178782 trlgG= -0.227757 logG= -0.045667 TDE= -0.399713 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003079 tlogG= -0.045294 logG= -0.048373 Density= 0.308544 ETOT(band)= -0.187933 trlgG= -0.239656 logG= -0.048373 TDE= -0.401227 logGD-logG0= -0.002995 tlogG= -0.047275 logG= -0.050271 Density= 0.307841 ETOT(band)= -0.190112 trlgG= -0.242901 logG= -0.050271 TDE= -0.402097 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001419 tlogG= -0.024081 logG= -0.025500 Density= 0.146545 ETOT(band)= -0.100373 trlgG= -0.127034 logG= -0.025500 TDE= -0.201248 logGD-logG0= -0.002775 tlogG= -0.048437 logG= -0.051212 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.292542 ETOT(band)= -0.201236 trlgG= -0.254762 logG= -0.051212 TDE= -0.402607 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002875 tlogG= -0.047211 logG= -0.050086 Density= 0.293441 ETOT(band)= -0.199689 trlgG= -0.252544 logG= -0.050086 TDE= -0.402126 logGD-logG0= -0.002732 tlogG= -0.048757 logG= -0.051489 Density= 0.291301 ETOT(band)= -0.202202 trlgG= -0.256069 logG= -0.051489 TDE= -0.402791 20) Finished k-point 41 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002735 tlogG= -0.047454 logG= -0.050189 Density= 0.288932 ETOT(band)= -0.202338 trlgG= -0.256012 logG= -0.050189 TDE= -0.402422 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005617 tlogG= -0.095050 logG= -0.100666 Density= 0.585912 ETOT(band)= -0.400356 trlgG= -0.506507 logG= -0.100666 TDE= -0.804517 logGD-logG0= -0.002596 tlogG= -0.050646 logG= -0.053242 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.287529 ETOT(band)= -0.206149 trlgG= -0.260811 logG= -0.053242 TDE= -0.403214 logGD-logG0= -0.002590 tlogG= -0.050653 logG= -0.053244 Density= 0.287508 ETOT(band)= -0.206178 trlgG= -0.260776 logG= -0.053244 TDE= -0.403163 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002649 tlogG= -0.049775 logG= -0.052424 Density= 0.287865 ETOT(band)= -0.205022 trlgG= -0.259621 logG= -0.052424 TDE= -0.403070 logGD-logG0= -0.002577 tlogG= -0.050871 logG= -0.053448 Density= 0.287369 ETOT(band)= -0.206483 trlgG= -0.260974 logG= -0.053448 TDE= -0.403062 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002594 tlogG= -0.050801 logG= -0.053395 Density= 0.287478 ETOT(band)= -0.206303 trlgG= -0.261016 logG= -0.053395 TDE= -0.403232 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005889 tlogG= -0.093569 logG= -0.099458 Density= 0.588403 ETOT(band)= -0.397734 trlgG= -0.502828 logG= -0.099458 TDE= -0.803740 logGD-logG0= -0.005713 tlogG= -0.091427 logG= -0.097140 Density= 0.587963 ETOT(band)= -0.395780 trlgG= -0.500185 logG= -0.097140 TDE= -0.803115 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 22) Finished k-point 45 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002671 tlogG= -0.048987 logG= -0.051658 Density= 0.288242 ETOT(band)= -0.204151 trlgG= -0.258540 logG= -0.051658 TDE= -0.403013 logGD-logG0= -0.005229 tlogG= -0.100831 logG= -0.106061 Density= 0.575327 ETOT(band)= -0.411654 trlgG= -0.521168 logG= -0.106061 TDE= -0.806580 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002691 tlogG= -0.049051 logG= -0.051742 logGD-logG0= -0.005384 tlogG= -0.097891 logG= -0.103276 Density= 0.288626 ETOT(band)= -0.203987 trlgG= -0.258312 logG= -0.051742 TDE= -0.402962 logGD-logG0= -0.002690 tlogG= -0.048660 logG= -0.051350 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.288294 ETOT(band)= -0.203802 trlgG= -0.257996 logG= -0.051350 TDE= -0.402812 Density= 0.576882 ETOT(band)= -0.407937 trlgG= -0.516399 logG= -0.103276 TDE= -0.805655 logGD-logG0= -0.005451 tlogG= -0.095599 logG= -0.101050 Density= 0.577561 ETOT(band)= -0.405483 trlgG= -0.513030 logG= -0.101050 TDE= -0.804973 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005293 tlogG= -0.099445 logG= -0.104738 Density= 0.575875 ETOT(band)= -0.409992 trlgG= -0.519256 logG= -0.104738 TDE= -0.806364 logGD-logG0= -0.002738 tlogG= -0.047589 logG= -0.050327 Density= 0.289489 ETOT(band)= -0.202147 trlgG= -0.255792 logG= -0.050327 TDE= -0.402443 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005483 tlogG= -0.094901 logG= -0.100384 logGD-logG0= -0.002645 tlogG= -0.049587 logG= -0.052232 logGD-logG0= -0.005524 tlogG= -0.095780 logG= -0.101304 Density= 0.288008 ETOT(band)= -0.204847 trlgG= -0.259435 logG= -0.052232 TDE= -0.403174 Density= 0.583830 ETOT(band)= -0.402133 trlgG= -0.508995 logG= -0.101304 TDE= -0.804951 Density= 0.578179 ETOT(band)= -0.404486 trlgG= -0.511522 logG= -0.100384 TDE= -0.804552 logGD-logG0= -0.002608 tlogG= -0.050465 logG= -0.053073 Density= 0.287636 ETOT(band)= -0.205891 trlgG= -0.260621 logG= -0.053073 TDE= -0.403265 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002583 tlogG= -0.050973 logG= -0.053556 Density= 0.287385 ETOT(band)= -0.206523 trlgG= -0.261186 logG= -0.053556 TDE= -0.403178 logGD-logG0= -0.005316 tlogG= -0.099276 logG= -0.104592 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.575844 ETOT(band)= -0.409750 trlgG= -0.518854 logG= -0.104592 TDE= -0.806087 logGD-logG0= -0.005822 tlogG= -0.090437 logG= -0.096259 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.590074 ETOT(band)= -0.393738 trlgG= -0.497257 logG= -0.096259 TDE= -0.802506 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.005360 tlogG= -0.098421 logG= -0.103781 Density= 0.576426 ETOT(band)= -0.408709 trlgG= -0.517520 logG= -0.103781 TDE= -0.805960 logGD-logG0= -0.002702 tlogG= -0.048375 logG= -0.051077 Density= 0.288346 ETOT(band)= -0.203503 trlgG= -0.257515 logG= -0.051077 TDE= -0.402640 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005225 tlogG= -0.101097 logG= -0.106322 Density= 0.575244 ETOT(band)= -0.411865 trlgG= -0.521496 logG= -0.106322 TDE= -0.806591 logGD-logG0= -0.005348 tlogG= -0.098226 logG= -0.103574 Density= 0.576370 ETOT(band)= -0.408593 trlgG= -0.517422 logG= -0.103574 TDE= -0.806030 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.006142 tlogG= -0.088460 logG= -0.094603 Density= 0.598455 ETOT(band)= -0.386900 trlgG= -0.488809 logG= -0.094603 TDE= -0.801417 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.005298 tlogG= -0.099675 logG= -0.104973 Density= 0.575753 ETOT(band)= -0.410208 trlgG= -0.519513 logG= -0.104973 TDE= -0.806303 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002637 tlogG= -0.050037 logG= -0.052673 Density= 0.287831 ETOT(band)= -0.205368 trlgG= -0.260093 logG= -0.052673 TDE= -0.403271 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002986 tlogG= -0.044794 logG= -0.047780 Density= 0.295847 ETOT(band)= -0.196075 trlgG= -0.247530 logG= -0.047780 TDE= -0.401055 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002641 tlogG= -0.049959 logG= -0.052599 Density= 0.287828 ETOT(band)= -0.205235 trlgG= -0.259923 logG= -0.052599 TDE= -0.403173 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002568 tlogG= -0.050955 logG= -0.053523 Density= 0.287286 ETOT(band)= -0.206629 trlgG= -0.261037 logG= -0.053523 TDE= -0.402994 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000106 tlogG= -0.002115 logG= -0.002221 Density= 0.083735 ETOT(band)= -0.060282 trlgG= -0.076070 logG= -0.002221 TDE= -0.016784 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.000653 tlogG= -0.012700 logG= -0.013353 Density= 0.359467 ETOT(band)= -0.257489 trlgG= -0.326090 logG= -0.013353 TDE= -0.100809 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002596 tlogG= -0.050913 logG= -0.053509 Density= 0.574991 ETOT(band)= -0.412586 trlgG= -0.522253 logG= -0.053509 TDE= -0.403280 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000651 tlogG= -0.012724 logG= -0.013375 Density= 0.359422 ETOT(band)= -0.257690 trlgG= -0.326307 logG= -0.013375 TDE= -0.100819 logGD-logG0= -0.002613 tlogG= -0.050675 logG= -0.053288 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 Density= 0.575236 ETOT(band)= -0.411806 trlgG= -0.521513 logG= -0.053288 TDE= -0.403271 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000900 tlogG= -0.016076 logG= -0.016977 Density= 0.168044 ETOT(band)= -0.119369 trlgG= -0.151103 logG= -0.016977 TDE= -0.134251 logGD-logG0= -0.001274 tlogG= -0.025414 logG= -0.026688 Density= 0.239278 ETOT(band)= -0.172234 trlgG= -0.217372 logG= -0.026688 TDE= -0.201419 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000638 tlogG= -0.012722 logG= -0.013360 Density= 0.358983 ETOT(band)= -0.258346 trlgG= -0.326116 logG= -0.013360 TDE= -0.100716 57) Finished k-point 116 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003751 tlogG= -0.040843 logG= -0.044594 Density= 0.432993 ETOT(band)= -0.232607 trlgG= -0.296504 logG= -0.044594 TDE= -0.398953 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.001343 tlogG= -0.024626 logG= -0.025969 Density= 0.432891 ETOT(band)= -0.306100 trlgG= -0.387631 logG= -0.025969 TDE= -0.201513 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002559 tlogG= -0.050889 logG= -0.053448 Density= 0.430855 ETOT(band)= -0.309948 trlgG= -0.391308 logG= -0.053448 TDE= -0.402849 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003195 tlogG= -0.043404 logG= -0.046598 Density= 0.406585 ETOT(band)= -0.252609 trlgG= -0.318740 logG= -0.046598 TDE= -0.400354 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002610 tlogG= -0.050534 logG= -0.053144 Density= 0.862942 ETOT(band)= -0.617623 trlgG= -0.781908 logG= -0.053144 TDE= -0.403301 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002781 tlogG= -0.046522 logG= -0.049303 logGD-logG0= -0.002567 tlogG= -0.050866 logG= -0.053433 Density= 0.383095 ETOT(band)= -0.275355 trlgG= -0.347794 logG= -0.053433 TDE= -0.402904 Density= 0.389046 ETOT(band)= -0.266120 trlgG= -0.336492 logG= -0.049303 TDE= -0.401996 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002669 tlogG= -0.049105 logG= -0.051774 Density= 0.576120 ETOT(band)= -0.409348 trlgG= -0.518429 logG= -0.051774 TDE= -0.403023 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002996 tlogG= -0.044475 logG= -0.047471 Density= 0.447934 ETOT(band)= -0.292913 trlgG= -0.370375 logG= -0.047471 TDE= -0.400947 logGD-logG0= -0.002606 tlogG= -0.050406 logG= -0.053012 Density= 0.383590 ETOT(band)= -0.274307 trlgG= -0.347215 logG= -0.053012 TDE= -0.403243 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002674 tlogG= -0.049403 logG= -0.052078 Density= 0.864572 ETOT(band)= -0.613277 trlgG= -0.776569 logG= -0.052078 TDE= -0.403037 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.001492 tlogG= -0.023771 logG= -0.025263 Density= 0.461722 ETOT(band)= -0.285309 trlgG= -0.364562 logG= -0.025263 TDE= -0.201103 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002620 tlogG= -0.050557 logG= -0.053178 Density= 0.575308 ETOT(band)= -0.411456 trlgG= -0.521092 logG= -0.053178 TDE= -0.403216 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003088 tlogG= -0.043899 logG= -0.046987 Density= 0.596730 ETOT(band)= -0.391190 trlgG= -0.494508 logG= -0.046987 TDE= -0.400595 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.001316 tlogG= -0.025091 logG= -0.026407 Density= 0.431718 ETOT(band)= -0.308136 trlgG= -0.390242 logG= -0.026407 TDE= -0.201647 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000645 tlogG= -0.012757 logG= -0.013402 Density= 0.359223 ETOT(band)= -0.258173 trlgG= -0.326499 logG= -0.013402 TDE= -0.100792 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002652 tlogG= -0.049810 logG= -0.052462 Density= 0.863713 ETOT(band)= -0.614807 trlgG= -0.778525 logG= -0.052462 TDE= -0.403085 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002791 tlogG= -0.046354 logG= -0.049145 Density= 0.583231 ETOT(band)= -0.401557 trlgG= -0.507920 logG= -0.049145 TDE= -0.401808 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002848 tlogG= -0.047919 logG= -0.050767 logGD-logG0= -0.003027 tlogG= -0.046497 logG= -0.049525 Density= 0.586617 ETOT(band)= -0.400168 trlgG= -0.506229 logG= -0.050767 TDE= -0.402406 Density= 0.616636 ETOT(band)= -0.377208 trlgG= -0.481309 logG= -0.049525 TDE= -0.401764 logGD-logG0= -0.002609 tlogG= -0.050664 logG= -0.053273 logGD-logG0= -0.003159 tlogG= -0.043804 logG= -0.046963 Density= 0.630917 ETOT(band)= -0.363875 trlgG= -0.463561 logG= -0.046963 TDE= -0.400517 Density= 0.862822 ETOT(band)= -0.617929 trlgG= -0.782394 logG= -0.053273 TDE= -0.403304 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.006631 tlogG= -0.085501 logG= -0.092132 Density= 0.925160 ETOT(band)= -0.559713 trlgG= -0.706846 logG= -0.092132 TDE= -0.799914 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002626 tlogG= -0.050220 logG= -0.052846 Density= 0.575483 ETOT(band)= -0.411182 trlgG= -0.520727 logG= -0.052846 TDE= -0.403264 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002768 tlogG= -0.046774 logG= -0.049542 Density= 0.581065 ETOT(band)= -0.403438 trlgG= -0.510509 logG= -0.049542 TDE= -0.402064 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002644 tlogG= -0.050002 logG= -0.052646 Density= 0.863578 ETOT(band)= -0.615490 trlgG= -0.779504 logG= -0.052646 TDE= -0.403192 logGD-logG0= -0.005161 tlogG= -0.101634 logG= -0.106795 Density= 0.862320 ETOT(band)= -0.618989 trlgG= -0.782629 logG= -0.106795 TDE= -0.806181 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 28 logGD-logG0= -0.005567 tlogG= -0.096406 logG= -0.101973 Density= 1.171205 ETOT(band)= -0.802290 trlgG= -1.015270 logG= -0.101973 TDE= -0.805044 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000641 tlogG= -0.012745 logG= -0.013387 Density= 0.359099 ETOT(band)= -0.258298 trlgG= -0.326303 logG= -0.013387 TDE= -0.100744 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001296 tlogG= -0.025366 logG= -0.026662 Density= 0.431272 ETOT(band)= -0.309278 trlgG= -0.391266 logG= -0.026662 TDE= -0.201601 logGD-logG0= -0.002571 tlogG= -0.050921 logG= -0.053492 Density= 0.574687 ETOT(band)= -0.413054 trlgG= -0.521973 logG= -0.053492 TDE= -0.403009 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002586 tlogG= -0.050905 logG= -0.053492 Density= 0.574900 ETOT(band)= -0.412741 trlgG= -0.522125 logG= -0.053492 TDE= -0.403189 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002686 tlogG= -0.049149 logG= -0.051835 logGD-logG0= -0.005268 tlogG= -0.100389 logG= -0.105657 Density= 0.863329 ETOT(band)= -0.615950 trlgG= -0.780033 logG= -0.105657 TDE= -0.806322 Density= 0.865249 ETOT(band)= -0.612129 trlgG= -0.774909 logG= -0.051835 TDE= -0.402891 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005830 tlogG= -0.095051 logG= -0.100881 Density= 1.176069 ETOT(band)= -0.797243 trlgG= -1.008182 logG= -0.100881 TDE= -0.804343 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005399 tlogG= -0.096719 logG= -0.102119 Density= 0.865895 ETOT(band)= -0.609200 trlgG= -0.771084 logG= -0.102119 TDE= -0.805540 logGD-logG0= -0.005478 tlogG= -0.097066 logG= -0.102545 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 1.166748 ETOT(band)= -0.805952 trlgG= -1.020327 logG= -0.102545 TDE= -0.805426 logGD-logG0= -0.005251 tlogG= -0.100172 logG= -0.105423 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.863611 ETOT(band)= -0.615718 trlgG= -0.779715 logG= -0.105423 TDE= -0.806518 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005393 tlogG= -0.097298 logG= -0.102692 Density= 1.154395 ETOT(band)= -0.812936 trlgG= -1.028811 logG= -0.102692 TDE= -0.805589 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002649 tlogG= -0.049620 logG= -0.052268 Density= 0.576233 ETOT(band)= -0.409036 trlgG= -0.518032 logG= -0.052268 TDE= -0.403183 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005195 tlogG= -0.101429 logG= -0.106624 Density= 0.862675 ETOT(band)= -0.618284 trlgG= -0.782457 logG= -0.106624 TDE= -0.806490 logGD-logG0= -0.005328 tlogG= -0.098742 logG= -0.104070 Density= 0.864363 ETOT(band)= -0.612988 trlgG= -0.776150 logG= -0.104070 TDE= -0.806063 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002708 tlogG= -0.048471 logG= -0.051179 Density= 0.578420 ETOT(band)= -0.405427 trlgG= -0.513141 logG= -0.051179 TDE= -0.402769 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005421 tlogG= -0.096708 logG= -0.102129 logGD-logG0= -0.005699 tlogG= -0.092972 logG= -0.098671 Density= 1.177010 ETOT(band)= -0.791621 trlgG= -1.000209 logG= -0.098671 TDE= -0.803654 Density= 1.155515 ETOT(band)= -0.811095 trlgG= -1.026057 logG= -0.102129 TDE= -0.805245 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005267 tlogG= -0.100265 logG= -0.105531 Density= 1.151446 ETOT(band)= -0.820912 trlgG= -1.039677 logG= -0.105531 TDE= -0.806529 logGD-logG0= -0.005601 tlogG= -0.093820 logG= -0.099421 38) Finished k-point 78 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 1.173218 ETOT(band)= -0.795314 trlgG= -1.005553 logG= -0.099421 TDE= -0.804176 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002919 tlogG= -0.046122 logG= -0.049042 Density= 0.589756 ETOT(band)= -0.394504 trlgG= -0.498246 logG= -0.049042 TDE= -0.401662 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005319 tlogG= -0.099225 logG= -0.104544 Density= 1.152379 ETOT(band)= -0.818315 trlgG= -1.036345 logG= -0.104544 TDE= -0.806316 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005348 tlogG= -0.098271 logG= -0.103619 Density= 0.864502 ETOT(band)= -0.612178 trlgG= -0.774884 logG= -0.103619 TDE= -0.805788 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005985 tlogG= -0.091276 logG= -0.097260 Density= 1.188529 ETOT(band)= -0.781521 trlgG= -0.987297 logG= -0.097260 TDE= -0.802736 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005253 tlogG= -0.100691 logG= -0.105944 Density= 0.863219 ETOT(band)= -0.616543 trlgG= -0.780830 logG= -0.105944 TDE= -0.806479 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Sum of eigenvalues= -386.281315337329 eV TrLogG= -488.650279655833 eV Ratio to renormalize= 1.000738457605 rho-rho_expected=-0.030254420213 nargs= 1 argi=dmft2.def 59) Finished k-point number 119 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 59) Finished k-point number 120 2 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 53) Finished k-point number 107 1 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 55) Finished k-point number 111 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 53) Finished k-point number 108 2 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 58) Finished k-point number 118 2 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 49) Finished k-point number 99 1 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 25) Finished k-point number 51 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 20) Finished k-point number 41 1 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 15) Finished k-point number 31 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 20) Finished k-point number 42 2 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 29) Finished k-point number 59 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 56) Finished k-point number 113 1 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 16) Finished k-point number 33 1 with #bands= 19 51) Finished k-point number 103 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 42) Finished k-point number 85 1 with #bands= 19 5) Finished k-point number 11 1 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 30) Finished k-point number 62 2 with #bands= 19 46) Finished k-point number 94 2 with #bands= 19 36) Finished k-point number 73 1 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 4) Finished k-point number 9 1 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.863203080013144 0.870407342383364 0.848402398514412 58) Finished k-point number 117 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 32) Finished k-point number 65 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 50) Finished k-point number 101 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 4) Finished k-point number 9 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 40) Finished k-point number 81 1 with #bands= 19 19) Finished k-point number 39 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 1) Finished k-point number 3 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 7) Finished k-point number 15 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 57) Finished k-point number 115 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 34) Finished k-point number 69 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 40) Finished k-point number 82 2 with #bands= 19 17) Finished k-point number 36 2 with #bands= 19 7) Finished k-point number 16 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 3) Finished k-point number 8 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 9) Finished k-point number 20 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 13) Finished k-point number 28 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 20) Finished k-point number 42 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 52) Finished k-point number 106 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 37) Finished k-point number 76 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 48) Finished k-point number 98 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 45) Finished k-point number 92 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 9.25780752175973 Density= 40.9909307912931 41.0000000000000 EF 9.52992135387331 Density= 41.4310977737687 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.70043636 0.68043636 0.431098 -0.906921E-02 1 0.69043636 0.68043638 0.248096 -0.906921E-02 2 0.68543637 0.68043661 0.105194 -0.906921E-02 3 0.68293649 0.68043626 0.320609E-01 -0.906921E-02 4 0.68168637 0.68043643 0.102307E-01 -0.906921E-02 5 0.68106140 0.68043658 0.438440E-03 -0.906921E-02 6 0.68103298 0.68106140 -0.869197E-06 0.438440E-03 7 0.68103304 0.68106140 -0.596671E-09 0.438440E-03 8 0.68103304 0.68103304 0.948098E-09 -0.596671E-09 9 0.68103304 0.68103304 0.948098E-09 -0.596671E-09 Absolute convergence of the X interval. Difference in EF= 0.0081182184 EF set to : 9.2659257402 new EF (no-mixing): 9.2659257402 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.000850 tlogG= -0.016973 logG= -0.017823 Density= 0.095717 ETOT(band)= -0.068878 trlgG= -0.086959 logG= -0.017823 TDE= -0.134323 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000858 tlogG= -0.016955 logG= -0.017814 Density= 0.095797 ETOT(band)= -0.068789 trlgG= -0.086956 logG= -0.017814 TDE= -0.134383 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001314 tlogG= -0.013417 logG= -0.014730 Density= 0.111952 ETOT(band)= -0.055515 trlgG= -0.071411 logG= -0.014730 TDE= -0.132924 logGD-logG0= -0.000648 tlogG= -0.012770 logG= -0.013418 Density= 0.071861 ETOT(band)= -0.051602 trlgG= -0.065331 logG= -0.013418 TDE= -0.100853 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002600 tlogG= -0.050895 logG= -0.053495 Density= 0.287517 ETOT(band)= -0.206199 trlgG= -0.261106 logG= -0.053495 TDE= -0.403420 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000636 tlogG= -0.012718 logG= -0.013354 Density= 0.071775 ETOT(band)= -0.051660 trlgG= -0.065212 logG= -0.013354 TDE= -0.100739 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 25 logGD-logG0= -0.002654 tlogG= -0.049863 logG= -0.052517 Density= 0.287947 ETOT(band)= -0.205016 trlgG= -0.259751 logG= -0.052517 TDE= -0.403335 37) Finished k-point 75 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002628 tlogG= -0.050352 logG= -0.052980 logGD-logG0= -0.001148 tlogG= -0.014092 logG= -0.015240 Density= 0.287737 ETOT(band)= -0.205582 trlgG= -0.260446 logG= -0.052980 TDE= -0.403424 Density= 0.101951 ETOT(band)= -0.062740 trlgG= -0.079084 logG= -0.015240 TDE= -0.133275 logGD-logG0= -0.002628 tlogG= -0.050417 logG= -0.053046 Density= 0.287690 ETOT(band)= -0.205577 trlgG= -0.260441 logG= -0.053046 TDE= -0.403322 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.005224 tlogG= -0.101248 logG= -0.106472 Density= 0.575249 ETOT(band)= -0.411783 trlgG= -0.521564 logG= -0.106472 TDE= -0.806855 logGD-logG0= -0.000874 tlogG= -0.016705 logG= -0.017579 Density= 0.095941 ETOT(band)= -0.068449 trlgG= -0.086698 logG= -0.017579 TDE= -0.134458 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002621 tlogG= -0.050558 logG= -0.053179 Density= 0.287654 ETOT(band)= -0.205760 trlgG= -0.260672 logG= -0.053179 TDE= -0.403395 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002614 tlogG= -0.050758 logG= -0.053372 Density= 0.287583 ETOT(band)= -0.205927 trlgG= -0.260877 logG= -0.053372 TDE= -0.403359 logGD-logG0= -0.000953 tlogG= -0.015166 logG= -0.016119 Density= 0.098544 ETOT(band)= -0.065526 trlgG= -0.082873 logG= -0.016119 TDE= -0.133866 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003587 tlogG= -0.041551 logG= -0.045139 Density= 0.312400 ETOT(band)= -0.183251 trlgG= -0.231777 logG= -0.045139 TDE= -0.399393 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.001282 tlogG= -0.025485 logG= -0.026767 Density= 0.143635 ETOT(band)= -0.103282 trlgG= -0.130463 logG= -0.026767 TDE= -0.201516 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002608 tlogG= -0.050867 logG= -0.053475 Density= 0.287547 ETOT(band)= -0.206088 trlgG= -0.261055 logG= -0.053475 TDE= -0.403409 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003437 tlogG= -0.042311 logG= -0.045747 Density= 0.319829 ETOT(band)= -0.178730 trlgG= -0.227784 logG= -0.045747 TDE= -0.399850 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003078 tlogG= -0.045373 logG= -0.048451 Density= 0.308546 ETOT(band)= -0.187882 trlgG= -0.239684 logG= -0.048451 TDE= -0.401363 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002904 tlogG= -0.047862 logG= -0.050766 Density= 0.293710 ETOT(band)= -0.200019 trlgG= -0.253149 logG= -0.050766 TDE= -0.402409 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002555 tlogG= -0.050967 logG= -0.053522 Density= 0.287194 ETOT(band)= -0.206631 trlgG= -0.260920 logG= -0.053522 TDE= -0.402987 logGD-logG0= -0.002994 tlogG= -0.047353 logG= -0.050347 logGD-logG0= -0.002985 tlogG= -0.044874 logG= -0.047859 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.307843 ETOT(band)= -0.190061 trlgG= -0.242928 logG= -0.050347 TDE= -0.402232 Density= 0.295852 ETOT(band)= -0.196032 trlgG= -0.247564 logG= -0.047859 TDE= -0.401191 logGD-logG0= -0.002874 tlogG= -0.047290 logG= -0.050164 Density= 0.293442 ETOT(band)= -0.199648 trlgG= -0.252581 logG= -0.050164 TDE= -0.402260 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002590 tlogG= -0.050729 logG= -0.053318 Density= 0.287510 ETOT(band)= -0.206137 trlgG= -0.260810 logG= -0.053318 TDE= -0.403295 20) Finished k-point 41 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002595 tlogG= -0.050721 logG= -0.053316 Density= 0.287531 ETOT(band)= -0.206108 trlgG= -0.260844 logG= -0.053316 TDE= -0.403346 logGD-logG0= -0.001419 tlogG= -0.024120 logG= -0.025539 Density= 0.146545 ETOT(band)= -0.100352 trlgG= -0.127052 logG= -0.025539 TDE= -0.201315 logGD-logG0= -0.002577 tlogG= -0.050946 logG= -0.053523 Density= 0.287371 ETOT(band)= -0.206442 trlgG= -0.261007 logG= -0.053523 TDE= -0.403194 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002735 tlogG= -0.047531 logG= -0.050266 Density= 0.288934 ETOT(band)= -0.202298 trlgG= -0.256049 logG= -0.050266 TDE= -0.402556 logGD-logG0= -0.005887 tlogG= -0.093727 logG= -0.099614 Density= 0.588363 ETOT(band)= -0.397680 trlgG= -0.502931 logG= -0.099614 TDE= -0.804011 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002775 tlogG= -0.048514 logG= -0.051289 Density= 0.292542 ETOT(band)= -0.201195 trlgG= -0.254799 logG= -0.051289 TDE= -0.402741 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002593 tlogG= -0.050876 logG= -0.053470 Density= 0.287481 ETOT(band)= -0.206262 trlgG= -0.261050 logG= -0.053470 TDE= -0.403364 logGD-logG0= -0.005615 tlogG= -0.095206 logG= -0.100821 Density= 0.585913 ETOT(band)= -0.400275 trlgG= -0.506581 logG= -0.100821 TDE= -0.804786 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002731 tlogG= -0.048835 logG= -0.051566 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.291299 ETOT(band)= -0.202163 trlgG= -0.256107 logG= -0.051566 TDE= -0.402925 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002701 tlogG= -0.048452 logG= -0.051153 logGD-logG0= -0.002644 tlogG= -0.049664 logG= -0.052308 Density= 0.288010 ETOT(band)= -0.204807 trlgG= -0.259470 logG= -0.052308 TDE= -0.403306 Density= 0.288349 ETOT(band)= -0.203463 trlgG= -0.257552 logG= -0.051153 TDE= -0.402774 logGD-logG0= -0.002670 tlogG= -0.049064 logG= -0.051734 Density= 0.288244 ETOT(band)= -0.204111 trlgG= -0.258576 logG= -0.051734 TDE= -0.403145 logGD-logG0= -0.002648 tlogG= -0.049852 logG= -0.052500 Density= 0.287867 ETOT(band)= -0.204982 trlgG= -0.259657 logG= -0.052500 TDE= -0.403204 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005712 tlogG= -0.091585 logG= -0.097297 logGD-logG0= -0.002567 tlogG= -0.051030 logG= -0.053598 Density= 0.287288 ETOT(band)= -0.206588 trlgG= -0.261070 logG= -0.053598 TDE= -0.403125 Density= 0.587967 ETOT(band)= -0.395698 trlgG= -0.500258 logG= -0.097297 TDE= -0.803386 22) Finished k-point 45 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005383 tlogG= -0.098046 logG= -0.103429 Density= 0.576888 ETOT(band)= -0.407856 trlgG= -0.516472 logG= -0.103429 TDE= -0.805923 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002738 tlogG= -0.047667 logG= -0.050404 logGD-logG0= -0.002690 tlogG= -0.049128 logG= -0.051818 Density= 0.289490 ETOT(band)= -0.202107 trlgG= -0.255829 logG= -0.050404 TDE= -0.402577 Density= 0.288629 ETOT(band)= -0.203946 trlgG= -0.258348 logG= -0.051818 TDE= -0.403096 logGD-logG0= -0.002582 tlogG= -0.051048 logG= -0.053630 Density= 0.287387 ETOT(band)= -0.206482 trlgG= -0.261220 logG= -0.053630 TDE= -0.403310 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002689 tlogG= -0.048737 logG= -0.051427 logGD-logG0= -0.005482 tlogG= -0.095057 logG= -0.100539 Density= 0.288297 ETOT(band)= -0.203761 trlgG= -0.258032 logG= -0.051427 TDE= -0.402945 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.578186 ETOT(band)= -0.404405 trlgG= -0.511596 logG= -0.100539 TDE= -0.804821 logGD-logG0= -0.002607 tlogG= -0.050540 logG= -0.053148 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.287638 ETOT(band)= -0.205850 trlgG= -0.260655 logG= -0.053148 TDE= -0.403397 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005450 tlogG= -0.095755 logG= -0.101204 Density= 0.577566 ETOT(band)= -0.405403 trlgG= -0.513103 logG= -0.101204 TDE= -0.805241 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005358 tlogG= -0.098575 logG= -0.103933 Density= 0.576432 ETOT(band)= -0.408628 trlgG= -0.517591 logG= -0.103933 TDE= -0.806227 logGD-logG0= -0.005228 tlogG= -0.100983 logG= -0.106211 Density= 0.575331 ETOT(band)= -0.411572 trlgG= -0.521236 logG= -0.106211 TDE= -0.806844 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005291 tlogG= -0.099598 logG= -0.104889 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.575879 ETOT(band)= -0.409911 trlgG= -0.519326 logG= -0.104889 TDE= -0.806630 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005522 tlogG= -0.095935 logG= -0.101458 Density= 0.583827 ETOT(band)= -0.402053 trlgG= -0.509071 logG= -0.101458 TDE= -0.805219 logGD-logG0= -0.005347 tlogG= -0.098379 logG= -0.103726 Density= 0.576375 ETOT(band)= -0.408512 trlgG= -0.517492 logG= -0.103726 TDE= -0.806297 logGD-logG0= -0.006140 tlogG= -0.088621 logG= -0.094762 Density= 0.598357 ETOT(band)= -0.386883 trlgG= -0.488951 logG= -0.094762 TDE= -0.801691 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002640 tlogG= -0.050035 logG= -0.052675 Density= 0.287830 ETOT(band)= -0.205195 trlgG= -0.259959 logG= -0.052675 TDE= -0.403306 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005821 tlogG= -0.090596 logG= -0.096417 Density= 0.590084 ETOT(band)= -0.393653 trlgG= -0.497328 logG= -0.096417 TDE= -0.802777 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.005296 tlogG= -0.099829 logG= -0.105125 Density= 0.575759 ETOT(band)= -0.410127 trlgG= -0.519583 logG= -0.105125 TDE= -0.806569 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005315 tlogG= -0.099430 logG= -0.104744 Density= 0.575850 ETOT(band)= -0.409669 trlgG= -0.518926 logG= -0.104744 TDE= -0.806354 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002636 tlogG= -0.050113 logG= -0.052748 Density= 0.287833 ETOT(band)= -0.205327 trlgG= -0.260128 logG= -0.052748 TDE= -0.403403 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000106 tlogG= -0.002118 logG= -0.002224 Density= 0.083736 ETOT(band)= -0.060270 trlgG= -0.076079 logG= -0.002224 TDE= -0.016789 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.000652 tlogG= -0.012719 logG= -0.013372 Density= 0.359470 ETOT(band)= -0.257439 trlgG= -0.326135 logG= -0.013372 TDE= -0.100843 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001274 tlogG= -0.025452 logG= -0.026725 Density= 0.239280 ETOT(band)= -0.172199 trlgG= -0.217398 logG= -0.026725 TDE= -0.201484 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000900 tlogG= -0.016102 logG= -0.017002 Density= 0.168045 ETOT(band)= -0.119345 trlgG= -0.151124 logG= -0.017002 TDE= -0.134295 logGD-logG0= -0.002566 tlogG= -0.050941 logG= -0.053508 Density= 0.383098 ETOT(band)= -0.275300 trlgG= -0.347837 logG= -0.053508 TDE= -0.403035 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002612 tlogG= -0.050751 logG= -0.053364 logGD-logG0= -0.002596 tlogG= -0.050989 logG= -0.053584 Density= 0.575241 ETOT(band)= -0.411725 trlgG= -0.521583 logG= -0.053364 TDE= -0.403404 Density= 0.574996 ETOT(band)= -0.412504 trlgG= -0.522321 logG= -0.053584 TDE= -0.403412 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000651 tlogG= -0.012743 logG= -0.013394 Density= 0.359425 ETOT(band)= -0.257639 trlgG= -0.326351 logG= -0.013394 TDE= -0.100852 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002608 tlogG= -0.050740 logG= -0.053348 Density= 0.862829 ETOT(band)= -0.617806 trlgG= -0.782497 logG= -0.053348 TDE= -0.403436 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000638 tlogG= -0.012741 logG= -0.013379 Density= 0.358986 ETOT(band)= -0.258295 trlgG= -0.326155 logG= -0.013379 TDE= -0.100749 57) Finished k-point 116 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003750 tlogG= -0.040925 logG= -0.044675 Density= 0.432992 ETOT(band)= -0.232534 trlgG= -0.296538 logG= -0.044675 TDE= -0.399091 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.001342 tlogG= -0.024665 logG= -0.026007 Density= 0.432894 ETOT(band)= -0.306039 trlgG= -0.387685 logG= -0.026007 TDE= -0.201579 logGD-logG0= -0.002605 tlogG= -0.050482 logG= -0.053087 Density= 0.383593 ETOT(band)= -0.274253 trlgG= -0.347260 logG= -0.053087 TDE= -0.403375 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000641 tlogG= -0.012764 logG= -0.013405 Density= 0.359102 ETOT(band)= -0.258247 trlgG= -0.326344 logG= -0.013405 TDE= -0.100777 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003194 tlogG= -0.043484 logG= -0.046678 Density= 0.406583 ETOT(band)= -0.252551 trlgG= -0.318788 logG= -0.046678 TDE= -0.400491 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002558 tlogG= -0.050964 logG= -0.053522 Density= 0.430858 ETOT(band)= -0.309886 trlgG= -0.391356 logG= -0.053522 TDE= -0.402979 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000645 tlogG= -0.012776 logG= -0.013421 Density= 0.359226 ETOT(band)= -0.258121 trlgG= -0.326541 logG= -0.013421 TDE= -0.100825 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002609 tlogG= -0.050609 logG= -0.053218 Density= 0.862949 ETOT(band)= -0.617500 trlgG= -0.782009 logG= -0.053218 TDE= -0.403433 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002781 tlogG= -0.046600 logG= -0.049381 Density= 0.389049 ETOT(band)= -0.266066 trlgG= -0.336541 logG= -0.049381 TDE= -0.402130 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002669 tlogG= -0.049181 logG= -0.051850 Density= 0.576125 ETOT(band)= -0.409267 trlgG= -0.518499 logG= -0.051850 TDE= -0.403156 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005160 tlogG= -0.101784 logG= -0.106944 Density= 0.862326 ETOT(band)= -0.618866 trlgG= -0.782730 logG= -0.106944 TDE= -0.806444 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002995 tlogG= -0.044555 logG= -0.047550 Density= 0.447938 ETOT(band)= -0.292847 trlgG= -0.370426 logG= -0.047550 TDE= -0.401082 logGD-logG0= -0.001296 tlogG= -0.025403 logG= -0.026699 Density= 0.431275 ETOT(band)= -0.309216 trlgG= -0.391316 logG= -0.026699 TDE= -0.201667 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002674 tlogG= -0.049480 logG= -0.052154 Density= 0.864581 ETOT(band)= -0.613155 trlgG= -0.776676 logG= -0.052154 TDE= -0.403170 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002625 tlogG= -0.050296 logG= -0.052922 Density= 0.575487 ETOT(band)= -0.411101 trlgG= -0.520796 logG= -0.052922 TDE= -0.403396 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002620 tlogG= -0.050634 logG= -0.053253 Density= 0.575313 ETOT(band)= -0.411375 trlgG= -0.521163 logG= -0.053253 TDE= -0.403349 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003087 tlogG= -0.043980 logG= -0.047067 Density= 0.596713 ETOT(band)= -0.391118 trlgG= -0.494593 logG= -0.047067 TDE= -0.400731 logGD-logG0= -0.001315 tlogG= -0.025129 logG= -0.026445 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 Density= 0.431722 ETOT(band)= -0.308075 trlgG= -0.390293 logG= -0.026445 TDE= -0.201714 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002571 tlogG= -0.050996 logG= -0.053567 Density= 0.574692 ETOT(band)= -0.412972 trlgG= -0.522039 logG= -0.053567 TDE= -0.403140 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003026 tlogG= -0.046576 logG= -0.049602 Density= 0.616639 ETOT(band)= -0.377107 trlgG= -0.481364 logG= -0.049602 TDE= -0.401899 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002847 tlogG= -0.047997 logG= -0.050844 Density= 0.586620 ETOT(band)= -0.400085 trlgG= -0.506302 logG= -0.050844 TDE= -0.402540 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006629 tlogG= -0.085664 logG= -0.092294 Density= 0.924956 ETOT(band)= -0.559716 trlgG= -0.707089 logG= -0.092294 TDE= -0.800189 logGD-logG0= -0.003158 tlogG= -0.043884 logG= -0.047042 Density= 0.630931 ETOT(band)= -0.363765 trlgG= -0.463608 logG= -0.047042 TDE= -0.400653 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002586 tlogG= -0.050981 logG= -0.053567 Density= 0.574904 ETOT(band)= -0.412658 trlgG= -0.522192 logG= -0.053567 TDE= -0.403321 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002918 tlogG= -0.046201 logG= -0.049120 Density= 0.589762 ETOT(band)= -0.394419 trlgG= -0.498318 logG= -0.049120 TDE= -0.401797 logGD-logG0= -0.005828 tlogG= -0.095208 logG= -0.101036 Density= 1.175996 ETOT(band)= -0.797130 trlgG= -1.008382 logG= -0.101036 TDE= -0.804613 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002643 tlogG= -0.050078 logG= -0.052722 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.863586 ETOT(band)= -0.615368 trlgG= -0.779610 logG= -0.052722 TDE= -0.403325 logGD-logG0= -0.001492 tlogG= -0.023810 logG= -0.025302 Density= 0.461724 ETOT(band)= -0.285233 trlgG= -0.364602 logG= -0.025302 TDE= -0.201171 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005566 tlogG= -0.096562 logG= -0.102127 Density= 1.171205 ETOT(band)= -0.802127 trlgG= -1.015418 logG= -0.102127 TDE= -0.805312 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002768 tlogG= -0.046853 logG= -0.049620 Density= 0.581066 ETOT(band)= -0.403359 trlgG= -0.510584 logG= -0.049620 TDE= -0.402198 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002790 tlogG= -0.046433 logG= -0.049223 logGD-logG0= -0.005250 tlogG= -0.100323 logG= -0.105573 Density= 0.863617 ETOT(band)= -0.615596 trlgG= -0.779819 logG= -0.105573 TDE= -0.806783 Density= 0.583237 ETOT(band)= -0.401475 trlgG= -0.507993 logG= -0.049223 TDE= -0.401943 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005266 tlogG= -0.100543 logG= -0.105809 Density= 0.863337 ETOT(band)= -0.615829 trlgG= -0.780141 logG= -0.105809 TDE= -0.806588 logGD-logG0= -0.005347 tlogG= -0.098425 logG= -0.103772 Density= 0.864511 ETOT(band)= -0.612057 trlgG= -0.774994 logG= -0.103772 TDE= -0.806055 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002685 tlogG= -0.049226 logG= -0.051911 logGD-logG0= -0.002652 tlogG= -0.049887 logG= -0.052539 Density= 0.863722 ETOT(band)= -0.614686 trlgG= -0.778633 logG= -0.052539 TDE= -0.403219 Density= 0.865258 ETOT(band)= -0.612008 trlgG= -0.775018 logG= -0.051911 TDE= -0.403024 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002648 tlogG= -0.049696 logG= -0.052344 Density= 0.576238 ETOT(band)= -0.408955 trlgG= -0.518102 logG= -0.052344 TDE= -0.403316 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005398 tlogG= -0.096873 logG= -0.102271 Density= 0.865902 ETOT(band)= -0.609080 trlgG= -0.771193 logG= -0.102271 TDE= -0.805807 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005194 tlogG= -0.101580 logG= -0.106773 Density= 0.862682 ETOT(band)= -0.618161 trlgG= -0.782558 logG= -0.106773 TDE= -0.806754 logGD-logG0= -0.005392 tlogG= -0.097453 logG= -0.102845 Density= 1.154406 ETOT(band)= -0.812775 trlgG= -1.028957 logG= -0.102845 TDE= -0.805856 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005477 tlogG= -0.097221 logG= -0.102698 Density= 1.166741 ETOT(band)= -0.805794 trlgG= -1.020479 logG= -0.102698 TDE= -0.805693 logGD-logG0= -0.002707 tlogG= -0.048548 logG= -0.051255 Density= 0.578423 ETOT(band)= -0.405346 trlgG= -0.513214 logG= -0.051255 TDE= -0.402903 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005252 tlogG= -0.100844 logG= -0.106096 Density= 0.863226 ETOT(band)= -0.616421 trlgG= -0.780936 logG= -0.106096 TDE= -0.806745 logGD-logG0= -0.005327 tlogG= -0.098895 logG= -0.104222 Density= 0.864370 ETOT(band)= -0.612867 trlgG= -0.776258 logG= -0.104222 TDE= -0.806330 logGD-logG0= -0.005420 tlogG= -0.096864 logG= -0.102283 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 1.155529 ETOT(band)= -0.810934 trlgG= -1.026204 logG= -0.102283 TDE= -0.805514 logGD-logG0= -0.005600 tlogG= -0.093976 logG= -0.099576 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 1.173221 ETOT(band)= -0.795151 trlgG= -1.005701 logG= -0.099576 TDE= -0.804445 logGD-logG0= -0.005265 tlogG= -0.100417 logG= -0.105682 Density= 1.151456 ETOT(band)= -0.820749 trlgG= -1.039816 logG= -0.105682 TDE= -0.806795 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 38) Finished k-point 78 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005318 tlogG= -0.099378 logG= -0.104696 Density= 1.152389 ETOT(band)= -0.818152 trlgG= -1.036485 logG= -0.104696 TDE= -0.806582 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005983 tlogG= -0.091435 logG= -0.097418 Density= 1.188369 ETOT(band)= -0.781466 trlgG= -0.987559 logG= -0.097418 TDE= -0.803007 logGD-logG0= -0.005698 tlogG= -0.093129 logG= -0.098827 Density= 1.177022 ETOT(band)= -0.791454 trlgG= -1.000355 logG= -0.098827 TDE= -0.803925 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Sum of eigenvalues= -386.206195069758 eV TrLogG= -488.719563231096 eV Ratio to renormalize= 1.000742909358 rho-rho_expected=-0.030436672003 nargs= 1 argi=dmft2.def 55) Finished k-point number 111 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 39) Finished k-point number 79 1 with #bands= 19 27) Finished k-point number 55 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 59) Finished k-point number 120 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 27) Finished k-point number 56 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 20) Finished k-point number 42 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 28) Finished k-point number 57 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 28) Finished k-point number 58 2 with #bands= 19 6) Finished k-point number 14 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 57) Finished k-point number 115 1 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 18) Finished k-point number 37 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 14) Finished k-point number 30 2 with #bands= 19 31) Finished k-point number 64 2 with #bands= 19 11) Finished k-point number 24 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 37) Finished k-point number 75 1 with #bands= 19 24) Finished k-point number 49 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 35) Finished k-point number 72 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 51) Finished k-point number 103 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 32) Finished k-point number 66 2 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 40) Finished k-point number 82 2 with #bands= 19 0) Finished k-point number 1 1 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.863147311437351 0.870353937726883 0.848340337194031 0) Finished k-point number 1 1 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 18) Finished k-point number 37 1 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 55) Finished k-point number 111 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 32) Finished k-point number 65 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 16) Finished k-point number 33 1 with #bands= 19 30) Finished k-point number 61 1 with #bands= 19 3) Finished k-point number 7 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 40) Finished k-point number 81 1 with #bands= 19 19) Finished k-point number 39 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 9) Finished k-point number 19 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 1) Finished k-point number 4 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 4) Finished k-point number 10 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 31) Finished k-point number 64 2 with #bands= 19 58) Finished k-point number 118 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 14) Finished k-point number 30 2 with #bands= 19 11) Finished k-point number 24 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 40) Finished k-point number 82 2 with #bands= 19 6) Finished k-point number 14 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 57) Finished k-point number 116 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 27) Finished k-point number 56 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 23) Finished k-point number 48 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 9.26592574015097 Density= 40.9950086228280 41.0000000000000 EF 9.53803957226456 Density= 41.4360916691804 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.70103304 0.68103304 0.436092 -0.499138E-02 1 0.69103304 0.68103306 0.253255 -0.499138E-02 2 0.68603305 0.68103281 0.114124 -0.499138E-02 3 0.68353293 0.68103294 0.376622E-01 -0.499138E-02 4 0.68228293 0.68103287 0.145172E-01 -0.499138E-02 5 0.68165790 0.68103267 0.464080E-02 -0.499138E-02 6 0.68135857 0.68165790 -0.107116E-04 0.464080E-02 7 0.68135926 0.68165790 -0.740080E-07 0.464080E-02 8 0.68135926 0.68135926 0.639488E-13 -0.740080E-07 Absolute convergence of |F(X)|. Difference in EF= 0.0044384733 EF set to : 9.2703642135 new EF (no-mixing): 9.2703642135 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.000858 tlogG= -0.016967 logG= -0.017826 Density= 0.095797 ETOT(band)= -0.068778 trlgG= -0.086958 logG= -0.017826 TDE= -0.134404 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000874 tlogG= -0.016717 logG= -0.017591 Density= 0.095942 ETOT(band)= -0.068439 trlgG= -0.086700 logG= -0.017591 TDE= -0.134479 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002600 tlogG= -0.050933 logG= -0.053532 Density= 0.287518 ETOT(band)= -0.206167 trlgG= -0.261111 logG= -0.053532 TDE= -0.403482 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000648 tlogG= -0.012779 logG= -0.013427 Density= 0.071861 ETOT(band)= -0.051594 trlgG= -0.065332 logG= -0.013427 TDE= -0.100868 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000850 tlogG= -0.016986 logG= -0.017836 Density= 0.095718 ETOT(band)= -0.068867 trlgG= -0.086961 logG= -0.017836 TDE= -0.134343 logGD-logG0= -0.001314 tlogG= -0.013430 logG= -0.014744 Density= 0.111952 ETOT(band)= -0.055500 trlgG= -0.071409 logG= -0.014744 TDE= -0.132945 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002627 tlogG= -0.050389 logG= -0.053017 Density= 0.287738 ETOT(band)= -0.205550 trlgG= -0.260451 logG= -0.053017 TDE= -0.403487 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002621 tlogG= -0.050595 logG= -0.053216 Density= 0.287655 ETOT(band)= -0.205728 trlgG= -0.260677 logG= -0.053216 TDE= -0.403458 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.001148 tlogG= -0.014105 logG= -0.015254 Density= 0.101951 ETOT(band)= -0.062729 trlgG= -0.079085 logG= -0.015254 TDE= -0.133297 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000636 tlogG= -0.012727 logG= -0.013363 Density= 0.071775 ETOT(band)= -0.051652 trlgG= -0.065213 logG= -0.013363 TDE= -0.100754 logGD-logG0= -0.002628 tlogG= -0.050455 logG= -0.053083 Density= 0.287691 ETOT(band)= -0.205545 trlgG= -0.260447 logG= -0.053083 TDE= -0.403385 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 25 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000953 tlogG= -0.015179 logG= -0.016132 Density= 0.098544 ETOT(band)= -0.065515 trlgG= -0.082875 logG= -0.016132 TDE= -0.133887 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003587 tlogG= -0.041591 logG= -0.045178 Density= 0.312343 ETOT(band)= -0.183254 trlgG= -0.231819 logG= -0.045178 TDE= -0.399459 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002904 tlogG= -0.047901 logG= -0.050804 Density= 0.293704 ETOT(band)= -0.199991 trlgG= -0.253160 logG= -0.050804 TDE= -0.402473 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003436 tlogG= -0.042350 logG= -0.045787 Density= 0.319829 ETOT(band)= -0.178690 trlgG= -0.227783 logG= -0.045787 TDE= -0.399915 logGD-logG0= -0.002985 tlogG= -0.044912 logG= -0.047897 Density= 0.295854 ETOT(band)= -0.195998 trlgG= -0.247569 logG= -0.047897 TDE= -0.401255 logGD-logG0= -0.002582 tlogG= -0.051085 logG= -0.053667 Density= 0.287388 ETOT(band)= -0.206451 trlgG= -0.261224 logG= -0.053667 TDE= -0.403372 logGD-logG0= -0.002874 tlogG= -0.047328 logG= -0.050202 Density= 0.293442 ETOT(band)= -0.199616 trlgG= -0.252586 logG= -0.050202 TDE= -0.402324 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 20) Finished k-point 41 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003078 tlogG= -0.045412 logG= -0.048490 Density= 0.308547 ETOT(band)= -0.187845 trlgG= -0.239685 logG= -0.048490 TDE= -0.401427 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001282 tlogG= -0.025503 logG= -0.026785 Density= 0.143635 ETOT(band)= -0.103266 trlgG= -0.130465 logG= -0.026785 TDE= -0.201547 logGD-logG0= -0.002614 tlogG= -0.050796 logG= -0.053409 Density= 0.287584 ETOT(band)= -0.205895 trlgG= -0.260883 logG= -0.053409 TDE= -0.403422 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002774 tlogG= -0.048553 logG= -0.051327 Density= 0.292542 ETOT(band)= -0.201164 trlgG= -0.254806 logG= -0.051327 TDE= -0.402805 logGD-logG0= -0.002653 tlogG= -0.049901 logG= -0.052554 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 Density= 0.287948 ETOT(band)= -0.204984 trlgG= -0.259757 logG= -0.052554 TDE= -0.403398 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 37) Finished k-point 75 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002734 tlogG= -0.047569 logG= -0.050304 Density= 0.288935 ETOT(band)= -0.202267 trlgG= -0.256055 logG= -0.050304 TDE= -0.402620 logGD-logG0= -0.002994 tlogG= -0.047392 logG= -0.050385 Density= 0.307843 ETOT(band)= -0.190024 trlgG= -0.242929 logG= -0.050385 TDE= -0.402295 logGD-logG0= -0.005886 tlogG= -0.093804 logG= -0.099691 Density= 0.588347 ETOT(band)= -0.397627 trlgG= -0.502954 logG= -0.099691 TDE= -0.804139 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002595 tlogG= -0.050758 logG= -0.053353 Density= 0.287532 ETOT(band)= -0.206076 trlgG= -0.260849 logG= -0.053353 TDE= -0.403408 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002644 tlogG= -0.049701 logG= -0.052345 Density= 0.288010 ETOT(band)= -0.204775 trlgG= -0.259475 logG= -0.052345 TDE= -0.403369 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005614 tlogG= -0.095283 logG= -0.100897 logGD-logG0= -0.002555 tlogG= -0.051003 logG= -0.053558 Density= 0.287195 ETOT(band)= -0.206600 trlgG= -0.260924 logG= -0.053558 TDE= -0.403049 Density= 0.585913 ETOT(band)= -0.400211 trlgG= -0.506594 logG= -0.100897 TDE= -0.804914 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002689 tlogG= -0.048775 logG= -0.051464 Density= 0.288298 ETOT(band)= -0.203730 trlgG= -0.258038 logG= -0.051464 TDE= -0.403008 logGD-logG0= -0.002589 tlogG= -0.050766 logG= -0.053355 Density= 0.287510 ETOT(band)= -0.206106 trlgG= -0.260815 logG= -0.053355 TDE= -0.403357 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002648 tlogG= -0.049890 logG= -0.052538 Density= 0.287868 ETOT(band)= -0.204950 trlgG= -0.259663 logG= -0.052538 TDE= -0.403267 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002701 tlogG= -0.048490 logG= -0.051191 Density= 0.288350 ETOT(band)= -0.203432 trlgG= -0.257558 logG= -0.051191 TDE= -0.402837 logGD-logG0= -0.002670 tlogG= -0.049101 logG= -0.051771 Density= 0.288245 ETOT(band)= -0.204079 trlgG= -0.258581 logG= -0.051771 TDE= -0.403208 logGD-logG0= -0.002690 tlogG= -0.049166 logG= -0.051855 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.288629 ETOT(band)= -0.203915 trlgG= -0.258354 logG= -0.051855 TDE= -0.403159 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005382 tlogG= -0.098122 logG= -0.103504 Density= 0.576890 ETOT(band)= -0.407793 trlgG= -0.516484 logG= -0.103504 TDE= -0.806049 logGD-logG0= -0.005449 tlogG= -0.095831 logG= -0.101279 Density= 0.577568 ETOT(band)= -0.405341 trlgG= -0.513116 logG= -0.101279 TDE= -0.805368 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005314 tlogG= -0.099505 logG= -0.104819 Density= 0.575852 ETOT(band)= -0.409607 trlgG= -0.518938 logG= -0.104819 TDE= -0.806481 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005481 tlogG= -0.095134 logG= -0.100615 logGD-logG0= -0.002593 tlogG= -0.050914 logG= -0.053506 Density= 0.287481 ETOT(band)= -0.206231 trlgG= -0.261055 logG= -0.053506 TDE= -0.403426 Density= 0.578189 ETOT(band)= -0.404343 trlgG= -0.511609 logG= -0.100615 TDE= -0.804949 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002607 tlogG= -0.050904 logG= -0.053512 logGD-logG0= -0.005522 tlogG= -0.096011 logG= -0.101533 Density= 0.583826 ETOT(band)= -0.401991 trlgG= -0.509084 logG= -0.101533 TDE= -0.805346 Density= 0.287548 ETOT(band)= -0.206057 trlgG= -0.261060 logG= -0.053512 TDE= -0.403472 logGD-logG0= -0.005358 tlogG= -0.098650 logG= -0.104008 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.576434 ETOT(band)= -0.408565 trlgG= -0.517603 logG= -0.104008 TDE= -0.806353 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005346 tlogG= -0.098454 logG= -0.103801 Density= 0.576376 ETOT(band)= -0.408449 trlgG= -0.517504 logG= -0.103801 TDE= -0.806422 logGD-logG0= -0.005820 tlogG= -0.090674 logG= -0.096494 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.590087 ETOT(band)= -0.393587 trlgG= -0.497338 logG= -0.096494 TDE= -0.802906 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.006139 tlogG= -0.088700 logG= -0.094839 Density= 0.598318 ETOT(band)= -0.386844 trlgG= -0.488989 logG= -0.094839 TDE= -0.801820 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.005296 tlogG= -0.099904 logG= -0.105199 Density= 0.575761 ETOT(band)= -0.410064 trlgG= -0.519595 logG= -0.105199 TDE= -0.806695 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005223 tlogG= -0.101323 logG= -0.106546 Density= 0.575250 ETOT(band)= -0.411720 trlgG= -0.521574 logG= -0.106546 TDE= -0.806980 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002640 tlogG= -0.050073 logG= -0.052712 Density= 0.287831 ETOT(band)= -0.205163 trlgG= -0.259964 logG= -0.052712 TDE= -0.403368 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005227 tlogG= -0.101057 logG= -0.106285 Density= 0.575333 ETOT(band)= -0.411509 trlgG= -0.521245 logG= -0.106285 TDE= -0.806969 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005291 tlogG= -0.099673 logG= -0.104964 Density= 0.575881 ETOT(band)= -0.409848 trlgG= -0.519337 logG= -0.104964 TDE= -0.806755 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002636 tlogG= -0.050150 logG= -0.052785 Density= 0.287834 ETOT(band)= -0.205295 trlgG= -0.260133 logG= -0.052785 TDE= -0.403466 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001419 tlogG= -0.024139 logG= -0.025558 Density= 0.146545 ETOT(band)= -0.100336 trlgG= -0.127054 logG= -0.025558 TDE= -0.201347 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005711 tlogG= -0.091662 logG= -0.097373 Density= 0.587968 ETOT(band)= -0.395633 trlgG= -0.500269 logG= -0.097373 TDE= -0.803514 22) Finished k-point 45 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002607 tlogG= -0.050578 logG= -0.053185 Density= 0.287638 ETOT(band)= -0.205819 trlgG= -0.260660 logG= -0.053185 TDE= -0.403460 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002737 tlogG= -0.047705 logG= -0.050442 Density= 0.289491 ETOT(band)= -0.202076 trlgG= -0.255835 logG= -0.050442 TDE= -0.402641 logGD-logG0= -0.002567 tlogG= -0.051067 logG= -0.053634 Density= 0.287288 ETOT(band)= -0.206556 trlgG= -0.261074 logG= -0.053634 TDE= -0.403187 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002731 tlogG= -0.048873 logG= -0.051603 Density= 0.291298 ETOT(band)= -0.202132 trlgG= -0.256113 logG= -0.051603 TDE= -0.402989 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002576 tlogG= -0.050983 logG= -0.053559 Density= 0.287372 ETOT(band)= -0.206410 trlgG= -0.261011 logG= -0.053559 TDE= -0.403256 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000106 tlogG= -0.002120 logG= -0.002226 Density= 0.083736 ETOT(band)= -0.060260 trlgG= -0.076080 logG= -0.002226 TDE= -0.016792 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.002566 tlogG= -0.050978 logG= -0.053544 Density= 0.383099 ETOT(band)= -0.275258 trlgG= -0.347843 logG= -0.053544 TDE= -0.403097 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002612 tlogG= -0.050789 logG= -0.053401 Density= 0.575242 ETOT(band)= -0.411662 trlgG= -0.521594 logG= -0.053401 TDE= -0.403467 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002605 tlogG= -0.050519 logG= -0.053124 Density= 0.383594 ETOT(band)= -0.274211 trlgG= -0.347267 logG= -0.053124 TDE= -0.403437 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000652 tlogG= -0.012729 logG= -0.013381 Density= 0.359471 ETOT(band)= -0.257400 trlgG= -0.326142 logG= -0.013381 TDE= -0.100858 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000900 tlogG= -0.016115 logG= -0.017015 Density= 0.168045 ETOT(band)= -0.119327 trlgG= -0.151127 logG= -0.017015 TDE= -0.134316 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001273 tlogG= -0.025470 logG= -0.026744 Density= 0.239280 ETOT(band)= -0.172173 trlgG= -0.217401 logG= -0.026744 TDE= -0.201515 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000645 tlogG= -0.012785 logG= -0.013430 Density= 0.359227 ETOT(band)= -0.258082 trlgG= -0.326546 logG= -0.013430 TDE= -0.100840 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003750 tlogG= -0.040965 logG= -0.044715 Density= 0.432993 ETOT(band)= -0.232480 trlgG= -0.296537 logG= -0.044715 TDE= -0.399156 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.001342 tlogG= -0.024683 logG= -0.026025 Density= 0.432895 ETOT(band)= -0.305992 trlgG= -0.387693 logG= -0.026025 TDE= -0.201611 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003194 tlogG= -0.043523 logG= -0.046717 Density= 0.406583 ETOT(band)= -0.252506 trlgG= -0.318794 logG= -0.046717 TDE= -0.400555 logGD-logG0= -0.000651 tlogG= -0.012753 logG= -0.013404 Density= 0.359426 ETOT(band)= -0.257600 trlgG= -0.326357 logG= -0.013404 TDE= -0.100868 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000638 tlogG= -0.012750 logG= -0.013388 Density= 0.358987 ETOT(band)= -0.258255 trlgG= -0.326160 logG= -0.013388 TDE= -0.100764 57) Finished k-point 116 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003087 tlogG= -0.044019 logG= -0.047106 logGD-logG0= -0.002673 tlogG= -0.049518 logG= -0.052191 Density= 0.864584 ETOT(band)= -0.613061 trlgG= -0.776694 logG= -0.052191 TDE= -0.403233 Density= 0.596707 ETOT(band)= -0.391057 trlgG= -0.494608 logG= -0.047106 TDE= -0.400796 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002558 tlogG= -0.051001 logG= -0.053559 Density= 0.430859 ETOT(band)= -0.309838 trlgG= -0.391362 logG= -0.053559 TDE= -0.403041 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002847 tlogG= -0.048035 logG= -0.050882 Density= 0.586621 ETOT(band)= -0.400021 trlgG= -0.506313 logG= -0.050882 TDE= -0.402604 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002619 tlogG= -0.050672 logG= -0.053291 Density= 0.575315 ETOT(band)= -0.411313 trlgG= -0.521174 logG= -0.053291 TDE= -0.403412 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005159 tlogG= -0.101858 logG= -0.107018 Density= 0.862328 ETOT(band)= -0.618771 trlgG= -0.782743 logG= -0.107018 TDE= -0.806568 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002918 tlogG= -0.046240 logG= -0.049158 Density= 0.589765 ETOT(band)= -0.394354 trlgG= -0.498329 logG= -0.049158 TDE= -0.401861 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003158 tlogG= -0.043923 logG= -0.047081 Density= 0.630937 ETOT(band)= -0.363686 trlgG= -0.463605 logG= -0.047081 TDE= -0.400717 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001296 tlogG= -0.025422 logG= -0.026718 Density= 0.431276 ETOT(band)= -0.309169 trlgG= -0.391323 logG= -0.026718 TDE= -0.201698 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002651 tlogG= -0.049925 logG= -0.052576 Density= 0.863725 ETOT(band)= -0.614592 trlgG= -0.778651 logG= -0.052576 TDE= -0.403282 logGD-logG0= -0.003026 tlogG= -0.046614 logG= -0.049640 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 Density= 0.616641 ETOT(band)= -0.377032 trlgG= -0.481366 logG= -0.049640 TDE= -0.401963 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002790 tlogG= -0.046472 logG= -0.049262 Density= 0.583239 ETOT(band)= -0.401411 trlgG= -0.508005 logG= -0.049262 TDE= -0.402007 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002643 tlogG= -0.050116 logG= -0.052759 Density= 0.863589 ETOT(band)= -0.615274 trlgG= -0.779627 logG= -0.052759 TDE= -0.403388 logGD-logG0= -0.005827 tlogG= -0.095285 logG= -0.101112 Density= 1.175969 ETOT(band)= -0.797021 trlgG= -1.008426 logG= -0.101112 TDE= -0.804741 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 28 logGD-logG0= -0.002595 tlogG= -0.051026 logG= -0.053621 Density= 0.574997 ETOT(band)= -0.412441 trlgG= -0.522331 logG= -0.053621 TDE= -0.403475 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.006629 tlogG= -0.085743 logG= -0.092372 Density= 0.924878 ETOT(band)= -0.559665 trlgG= -0.707153 logG= -0.092372 TDE= -0.800319 logGD-logG0= -0.002608 tlogG= -0.050777 logG= -0.053385 Density= 0.862832 ETOT(band)= -0.617712 trlgG= -0.782512 logG= -0.053385 TDE= -0.403499 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.005565 tlogG= -0.096638 logG= -0.102203 Density= 1.171205 ETOT(band)= -0.802000 trlgG= -1.015442 logG= -0.102203 TDE= -0.805440 logGD-logG0= -0.001491 tlogG= -0.023829 logG= -0.025321 Density= 0.461724 ETOT(band)= -0.285177 trlgG= -0.364603 logG= -0.025321 TDE= -0.201202 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001315 tlogG= -0.025148 logG= -0.026463 Density= 0.431723 ETOT(band)= -0.308027 trlgG= -0.390301 logG= -0.026463 TDE= -0.201745 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.005266 tlogG= -0.100618 logG= -0.105884 Density= 0.863340 ETOT(band)= -0.615736 trlgG= -0.780158 logG= -0.105884 TDE= -0.806714 logGD-logG0= -0.002668 tlogG= -0.049219 logG= -0.051887 Density= 0.576126 ETOT(band)= -0.409204 trlgG= -0.518510 logG= -0.051887 TDE= -0.403219 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002586 tlogG= -0.051018 logG= -0.053603 Density= 0.574906 ETOT(band)= -0.412595 trlgG= -0.522202 logG= -0.053603 TDE= -0.403383 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002685 tlogG= -0.049264 logG= -0.051949 Density= 0.865261 ETOT(band)= -0.611914 trlgG= -0.775037 logG= -0.051949 TDE= -0.403088 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005346 tlogG= -0.098501 logG= -0.103847 Density= 0.864514 ETOT(band)= -0.611963 trlgG= -0.775013 logG= -0.103847 TDE= -0.806182 logGD-logG0= -0.005326 tlogG= -0.098970 logG= -0.104296 Density= 0.864373 ETOT(band)= -0.612773 trlgG= -0.776276 logG= -0.104296 TDE= -0.806456 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005391 tlogG= -0.097528 logG= -0.102920 Density= 1.154409 ETOT(band)= -0.812650 trlgG= -1.028982 logG= -0.102920 TDE= -0.805983 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005397 tlogG= -0.096949 logG= -0.102346 Density= 0.865904 ETOT(band)= -0.608987 trlgG= -0.771211 logG= -0.102346 TDE= -0.805933 logGD-logG0= -0.000641 tlogG= -0.012773 logG= -0.013414 Density= 0.359103 ETOT(band)= -0.258207 trlgG= -0.326349 logG= -0.013414 TDE= -0.100792 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002648 tlogG= -0.049733 logG= -0.052381 logGD-logG0= -0.005476 tlogG= -0.097297 logG= -0.102773 Density= 0.576239 ETOT(band)= -0.408892 trlgG= -0.518113 logG= -0.052381 TDE= -0.403378 Density= 1.166738 ETOT(band)= -0.805669 trlgG= -1.020505 logG= -0.102773 TDE= -0.805820 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005419 tlogG= -0.096940 logG= -0.102359 Density= 1.155534 ETOT(band)= -0.810808 trlgG= -1.026229 logG= -0.102359 TDE= -0.805641 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005317 tlogG= -0.099453 logG= -0.104770 Density= 1.152393 ETOT(band)= -0.818026 trlgG= -1.036507 logG= -0.104770 TDE= -0.806708 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005697 tlogG= -0.093207 logG= -0.098903 Density= 1.177026 ETOT(band)= -0.791325 trlgG= -1.000378 logG= -0.098903 TDE= -0.804053 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002995 tlogG= -0.044594 logG= -0.047589 Density= 0.447939 ETOT(band)= -0.292796 trlgG= -0.370432 logG= -0.047589 TDE= -0.401147 logGD-logG0= -0.002780 tlogG= -0.046638 logG= -0.049419 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 Density= 0.389049 ETOT(band)= -0.266024 trlgG= -0.336549 logG= -0.049419 TDE= -0.402194 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002625 tlogG= -0.050334 logG= -0.052959 Density= 0.575489 ETOT(band)= -0.411038 trlgG= -0.520807 logG= -0.052959 TDE= -0.403459 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005251 tlogG= -0.100919 logG= -0.106170 Density= 0.863229 ETOT(band)= -0.616327 trlgG= -0.780952 logG= -0.106170 TDE= -0.806870 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005982 tlogG= -0.091513 logG= -0.097494 Density= 1.188306 ETOT(band)= -0.781380 trlgG= -0.987626 logG= -0.097494 TDE= -0.803136 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005599 tlogG= -0.094053 logG= -0.099652 Density= 1.173223 ETOT(band)= -0.795024 trlgG= -1.005725 logG= -0.099652 TDE= -0.804573 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002570 tlogG= -0.051033 logG= -0.053603 Density= 0.574693 ETOT(band)= -0.412908 trlgG= -0.522048 logG= -0.053603 TDE= -0.403202 logGD-logG0= -0.002609 tlogG= -0.050647 logG= -0.053255 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.862951 ETOT(band)= -0.617405 trlgG= -0.782024 logG= -0.053255 TDE= -0.403495 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002767 tlogG= -0.046891 logG= -0.049658 Density= 0.581065 ETOT(band)= -0.403296 trlgG= -0.510597 logG= -0.049658 TDE= -0.402262 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005249 tlogG= -0.100398 logG= -0.105647 Density= 0.863620 ETOT(band)= -0.615501 trlgG= -0.779834 logG= -0.105647 TDE= -0.806908 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005265 tlogG= -0.100492 logG= -0.105756 Density= 1.151459 ETOT(band)= -0.820623 trlgG= -1.039837 logG= -0.105756 TDE= -0.806920 38) Finished k-point 78 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005193 tlogG= -0.101654 logG= -0.106847 Density= 0.862684 ETOT(band)= -0.618066 trlgG= -0.782572 logG= -0.106847 TDE= -0.806879 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002707 tlogG= -0.048586 logG= -0.051293 Density= 0.578424 ETOT(band)= -0.405284 trlgG= -0.513227 logG= -0.051293 TDE= -0.402966 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Sum of eigenvalues= -386.146528641022 eV TrLogG= -488.730319087587 eV Ratio to renormalize= 1.000744709446 rho-rho_expected=-0.030510365936 nargs= 1 argi=dmft2.def 57) Finished k-point number 115 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 59) Finished k-point number 120 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 2) Finished k-point number 5 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 14) Finished k-point number 30 2 with #bands= 19 55) Finished k-point number 111 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 26) Finished k-point number 54 2 with #bands= 19 2) Finished k-point number 6 2 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 6) Finished k-point number 14 2 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 31) Finished k-point number 64 2 with #bands= 19 22) Finished k-point number 45 1 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 8) Finished k-point number 17 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 42) Finished k-point number 85 1 with #bands= 19 38) Finished k-point number 78 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 35) Finished k-point number 72 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 5) Finished k-point number 12 2 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 13) Finished k-point number 28 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 48) Finished k-point number 98 2 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 39) Finished k-point number 80 2 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 18) Finished k-point number 38 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 16) Finished k-point number 33 1 with #bands= 19 16) Finished k-point number 34 2 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.862366748399402 0.869593531362193 0.847485165195839 58) Finished k-point number 117 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 32) Finished k-point number 65 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 50) Finished k-point number 101 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 16) Finished k-point number 33 1 with #bands= 19 37) Finished k-point number 75 1 with #bands= 19 4) Finished k-point number 9 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 21) Finished k-point number 43 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 31) Finished k-point number 63 1 with #bands= 19 40) Finished k-point number 81 1 with #bands= 19 19) Finished k-point number 39 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 31) Finished k-point number 64 2 with #bands= 19 30) Finished k-point number 62 2 with #bands= 19 18) Finished k-point number 38 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 24) Finished k-point number 50 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 25) Finished k-point number 52 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 27) Finished k-point number 56 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 55) Finished k-point number 112 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 50) Finished k-point number 102 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 3) Finished k-point number 8 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 4) Finished k-point number 10 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 1) Finished k-point number 4 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 9.27036421345227 Density= 40.9385366133685 41.0000000000000 EF 9.54247804556585 Density= 41.3568951309675 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.70135926 0.68135926 0.356895 -0.614634E-01 1 0.69135926 0.68135928 0.121365 -0.614634E-01 2 0.68635927 0.68135903 0.203332E-02 -0.614634E-01 3 0.68622434 0.68635927 -0.131709E-04 0.203332E-02 4 0.68622521 0.68635927 -0.546376E-07 0.203332E-02 5 0.68622521 0.68635927 -0.142109E-13 0.203332E-02 Absolute convergence of |F(X)|. Difference in EF too large to mix 6.620458517328461E-002 cutoff= 2.9999999E-02 Difference in EF= 0.0662045852 EF set to : 9.3365687986 new EF (no-mixing): 9.3365687986 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.000872 tlogG= -0.016929 logG= -0.017801 Density= 0.095947 ETOT(band)= -0.068328 trlgG= -0.086798 logG= -0.017801 TDE= -0.134838 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000848 tlogG= -0.017195 logG= -0.018043 Density= 0.095723 ETOT(band)= -0.068755 trlgG= -0.087050 logG= -0.018043 TDE= -0.134694 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001311 tlogG= -0.013660 logG= -0.014970 Density= 0.111951 ETOT(band)= -0.055333 trlgG= -0.071466 logG= -0.014970 TDE= -0.133319 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002622 tlogG= -0.051025 logG= -0.053647 logGD-logG0= -0.000647 tlogG= -0.012937 logG= -0.013584 Density= 0.071866 ETOT(band)= -0.051510 trlgG= -0.065405 logG= -0.013584 TDE= -0.101137 Density= 0.287758 ETOT(band)= -0.205215 trlgG= -0.260746 logG= -0.053647 TDE= -0.404565 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002615 tlogG= -0.051233 logG= -0.053848 logGD-logG0= -0.002622 tlogG= -0.051096 logG= -0.053719 Density= 0.287712 ETOT(band)= -0.205215 trlgG= -0.260753 logG= -0.053719 TDE= -0.404470 Density= 0.287674 ETOT(band)= -0.205396 trlgG= -0.260977 logG= -0.053848 TDE= -0.404538 logGD-logG0= -0.002609 tlogG= -0.051435 logG= -0.054044 Density= 0.287603 ETOT(band)= -0.205565 trlgG= -0.261188 logG= -0.054044 TDE= -0.404504 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.005213 tlogG= -0.102592 logG= -0.107805 Density= 0.575287 ETOT(band)= -0.411050 trlgG= -0.522163 logG= -0.107805 TDE= -0.809134 logGD-logG0= -0.002602 tlogG= -0.051541 logG= -0.054143 Density= 0.287567 ETOT(band)= -0.205725 trlgG= -0.261359 logG= -0.054143 TDE= -0.404551 logGD-logG0= -0.000857 tlogG= -0.017177 logG= -0.018034 Density= 0.095802 ETOT(band)= -0.068666 trlgG= -0.087053 logG= -0.018034 TDE= -0.134761 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000951 tlogG= -0.015399 logG= -0.016351 logGD-logG0= -0.000635 tlogG= -0.012884 logG= -0.013519 Density= 0.071779 ETOT(band)= -0.051568 trlgG= -0.065280 logG= -0.013519 TDE= -0.101017 Density= 0.098559 ETOT(band)= -0.065395 trlgG= -0.082971 logG= -0.016351 TDE= -0.134254 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.001415 tlogG= -0.024465 logG= -0.025880 Density= 0.146549 ETOT(band)= -0.100166 trlgG= -0.127208 logG= -0.025880 TDE= -0.201894 logGD-logG0= -0.003581 tlogG= -0.042280 logG= -0.045861 Density= 0.311213 ETOT(band)= -0.183643 trlgG= -0.232882 logG= -0.045861 TDE= -0.400584 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002588 tlogG= -0.051545 logG= -0.054133 Density= 0.287499 ETOT(band)= -0.205894 trlgG= -0.261343 logG= -0.054133 TDE= -0.404499 logGD-logG0= -0.002571 tlogG= -0.051612 logG= -0.054184 Density= 0.287388 ETOT(band)= -0.206073 trlgG= -0.261296 logG= -0.054184 TDE= -0.404325 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002577 tlogG= -0.051715 logG= -0.054292 Density= 0.287405 ETOT(band)= -0.206114 trlgG= -0.261510 logG= -0.054292 TDE= -0.404442 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002984 tlogG= -0.048045 logG= -0.051029 Density= 0.307854 ETOT(band)= -0.189608 trlgG= -0.243162 logG= -0.051029 TDE= -0.403390 logGD-logG0= -0.003069 tlogG= -0.046074 logG= -0.049143 Density= 0.308562 ETOT(band)= -0.187433 trlgG= -0.239930 logG= -0.049143 TDE= -0.402530 logGD-logG0= -0.001279 tlogG= -0.025818 logG= -0.027097 Density= 0.143643 ETOT(band)= -0.103098 trlgG= -0.130603 logG= -0.027097 TDE= -0.202078 logGD-logG0= -0.003431 tlogG= -0.043029 logG= -0.046460 Density= 0.319828 ETOT(band)= -0.178259 trlgG= -0.228018 logG= -0.046460 TDE= -0.401032 logGD-logG0= -0.002866 tlogG= -0.047985 logG= -0.050851 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.293453 ETOT(band)= -0.199276 trlgG= -0.252899 logG= -0.050851 TDE= -0.403423 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 20) Finished k-point 41 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002895 tlogG= -0.048558 logG= -0.051453 Density= 0.293608 ETOT(band)= -0.199724 trlgG= -0.253545 logG= -0.051453 TDE= -0.403573 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002767 tlogG= -0.049204 logG= -0.051971 Density= 0.292539 ETOT(band)= -0.200831 trlgG= -0.255122 logG= -0.051971 TDE= -0.403899 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002729 tlogG= -0.048219 logG= -0.050948 Density= 0.288952 ETOT(band)= -0.201942 trlgG= -0.256372 logG= -0.050948 TDE= -0.403710 logGD-logG0= -0.001146 tlogG= -0.014333 logG= -0.015480 Density= 0.101949 ETOT(band)= -0.062611 trlgG= -0.079191 logG= -0.015480 TDE= -0.133671 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005438 tlogG= -0.097130 logG= -0.102568 Density= 0.577612 ETOT(band)= -0.404685 trlgG= -0.513748 logG= -0.102568 TDE= -0.807551 logGD-logG0= -0.005601 tlogG= -0.096593 logG= -0.102194 Density= 0.585921 ETOT(band)= -0.399543 trlgG= -0.507229 logG= -0.102194 TDE= -0.807109 logGD-logG0= -0.002639 tlogG= -0.050339 logG= -0.052978 logGD-logG0= -0.002590 tlogG= -0.051390 logG= -0.053980 Density= 0.287548 ETOT(band)= -0.205740 trlgG= -0.261138 logG= -0.053980 TDE= -0.404481 Density= 0.288027 ETOT(band)= -0.204444 trlgG= -0.259775 logG= -0.052978 TDE= -0.404448 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005870 tlogG= -0.095127 logG= -0.100997 Density= 0.588094 ETOT(band)= -0.397138 trlgG= -0.503778 logG= -0.100997 TDE= -0.806346 logGD-logG0= -0.002550 tlogG= -0.051631 logG= -0.054181 Density= 0.287211 ETOT(band)= -0.206262 trlgG= -0.261193 logG= -0.054181 TDE= -0.404103 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002643 tlogG= -0.050533 logG= -0.053176 Density= 0.287889 ETOT(band)= -0.204621 trlgG= -0.259972 logG= -0.053176 TDE= -0.404353 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002684 tlogG= -0.049421 logG= -0.052104 logGD-logG0= -0.002584 tlogG= -0.051397 logG= -0.053981 Density= 0.287526 ETOT(band)= -0.205770 trlgG= -0.261103 logG= -0.053981 TDE= -0.404430 logGD-logG0= -0.002665 tlogG= -0.049742 logG= -0.052407 Density= 0.288318 ETOT(band)= -0.203401 trlgG= -0.258350 logG= -0.052104 TDE= -0.404096 Density= 0.288261 ETOT(band)= -0.203749 trlgG= -0.258886 logG= -0.052407 TDE= -0.404291 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002684 tlogG= -0.049809 logG= -0.052493 logGD-logG0= -0.002732 tlogG= -0.048354 logG= -0.051086 Density= 0.288646 ETOT(band)= -0.203583 trlgG= -0.258661 logG= -0.052493 TDE= -0.404245 Density= 0.289505 ETOT(band)= -0.201750 trlgG= -0.256152 logG= -0.051086 TDE= -0.403732 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002562 tlogG= -0.051696 logG= -0.054258 Density= 0.287305 ETOT(band)= -0.206219 trlgG= -0.261355 logG= -0.054258 TDE= -0.404253 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005370 tlogG= -0.099418 logG= -0.104788 Density= 0.576940 ETOT(band)= -0.407130 trlgG= -0.517108 logG= -0.104788 TDE= -0.808230 logGD-logG0= -0.005217 tlogG= -0.102324 logG= -0.107541 Density= 0.575368 ETOT(band)= -0.410838 trlgG= -0.521829 logG= -0.107541 TDE= -0.809120 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005470 tlogG= -0.096442 logG= -0.101911 Density= 0.578249 ETOT(band)= -0.403681 trlgG= -0.512244 logG= -0.101911 TDE= -0.807142 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005303 tlogG= -0.100794 logG= -0.106097 Density= 0.575896 ETOT(band)= -0.408946 trlgG= -0.519557 logG= -0.106097 TDE= -0.808655 logGD-logG0= -0.002648 tlogG= -0.050540 logG= -0.053187 logGD-logG0= -0.005280 tlogG= -0.100950 logG= -0.106230 Density= 0.575918 ETOT(band)= -0.409182 trlgG= -0.519937 logG= -0.106230 TDE= -0.808917 Density= 0.287969 ETOT(band)= -0.204649 trlgG= -0.260055 logG= -0.053187 TDE= -0.404479 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 37) Finished k-point 75 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.005336 tlogG= -0.099737 logG= -0.105073 Density= 0.576415 ETOT(band)= -0.407785 trlgG= -0.518112 logG= -0.105073 TDE= -0.808590 logGD-logG0= -0.002634 tlogG= -0.050713 logG= -0.053347 Density= 0.287851 ETOT(band)= -0.204832 trlgG= -0.260268 logG= -0.053347 TDE= -0.404451 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005346 tlogG= -0.099938 logG= -0.105284 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.576479 ETOT(band)= -0.407900 trlgG= -0.518216 logG= -0.105284 TDE= -0.808526 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002630 tlogG= -0.050786 logG= -0.053416 Density= 0.287853 ETOT(band)= -0.204960 trlgG= -0.260428 logG= -0.053416 TDE= -0.404544 logGD-logG0= -0.002979 tlogG= -0.045580 logG= -0.048559 Density= 0.295900 ETOT(band)= -0.195641 trlgG= -0.247867 logG= -0.048559 TDE= -0.402363 logGD-logG0= -0.005285 tlogG= -0.101185 logG= -0.106470 Density= 0.575802 ETOT(band)= -0.409399 trlgG= -0.520201 logG= -0.106470 TDE= -0.808862 logGD-logG0= -0.006124 tlogG= -0.090046 logG= -0.096170 Density= 0.597643 ETOT(band)= -0.386630 trlgG= -0.490099 logG= -0.096170 TDE= -0.804046 logGD-logG0= -0.002594 tlogG= -0.051566 logG= -0.054160 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.287536 ETOT(band)= -0.205832 trlgG= -0.261404 logG= -0.054160 TDE= -0.404558 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.005509 tlogG= -0.097313 logG= -0.102822 Density= 0.583811 ETOT(band)= -0.401339 trlgG= -0.509728 logG= -0.102822 TDE= -0.807532 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005700 tlogG= -0.092983 logG= -0.098683 Density= 0.588009 ETOT(band)= -0.394953 trlgG= -0.500893 logG= -0.098683 TDE= -0.805717 22) Finished k-point 45 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002724 tlogG= -0.049520 logG= -0.052244 Density= 0.291282 ETOT(band)= -0.201810 trlgG= -0.256438 logG= -0.052244 TDE= -0.404078 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002602 tlogG= -0.051211 logG= -0.053813 Density= 0.287655 ETOT(band)= -0.205484 trlgG= -0.260951 logG= -0.053813 TDE= -0.404535 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005809 tlogG= -0.092005 logG= -0.097814 Density= 0.590172 ETOT(band)= -0.392881 trlgG= -0.497942 logG= -0.097814 TDE= -0.805119 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002695 tlogG= -0.049140 logG= -0.051835 Density= 0.288373 ETOT(band)= -0.203105 trlgG= -0.257876 logG= -0.051835 TDE= -0.403930 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000106 tlogG= -0.002146 logG= -0.002252 Density= 0.083741 ETOT(band)= -0.060162 trlgG= -0.076158 logG= -0.002252 TDE= -0.016836 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.002600 tlogG= -0.051151 logG= -0.053752 Density= 0.383615 ETOT(band)= -0.273765 trlgG= -0.347656 logG= -0.053752 TDE= -0.404512 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000898 tlogG= -0.016330 logG= -0.017228 Density= 0.168055 ETOT(band)= -0.119134 trlgG= -0.151303 logG= -0.017228 TDE= -0.134678 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002602 tlogG= -0.051412 logG= -0.054014 Density= 0.862887 ETOT(band)= -0.616707 trlgG= -0.783393 logG= -0.054014 TDE= -0.404575 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000643 tlogG= -0.012943 logG= -0.013586 Density= 0.359248 ETOT(band)= -0.257661 trlgG= -0.326903 logG= -0.013586 TDE= -0.101108 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003742 tlogG= -0.041656 logG= -0.045398 Density= 0.432990 ETOT(band)= -0.231886 trlgG= -0.296841 logG= -0.045398 TDE= -0.400282 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.001339 tlogG= -0.025005 logG= -0.026344 Density= 0.432921 ETOT(band)= -0.305494 trlgG= -0.388153 logG= -0.026344 TDE= -0.202153 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000640 tlogG= -0.012931 logG= -0.013570 Density= 0.359123 ETOT(band)= -0.257785 trlgG= -0.326700 logG= -0.013570 TDE= -0.101058 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002604 tlogG= -0.051280 logG= -0.053883 Density= 0.863005 ETOT(band)= -0.616397 trlgG= -0.782898 logG= -0.053883 TDE= -0.404570 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002581 tlogG= -0.051648 logG= -0.054229 Density= 0.574940 ETOT(band)= -0.411922 trlgG= -0.522777 logG= -0.054229 TDE= -0.404454 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002565 tlogG= -0.051662 logG= -0.054227 Density= 0.574726 ETOT(band)= -0.412235 trlgG= -0.522614 logG= -0.054227 TDE= -0.404269 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001313 tlogG= -0.025465 logG= -0.026778 logGD-logG0= -0.002775 tlogG= -0.047293 logG= -0.050068 Density= 0.389076 ETOT(band)= -0.265580 trlgG= -0.336968 logG= -0.050068 TDE= -0.403289 Density= 0.431752 ETOT(band)= -0.307524 trlgG= -0.390742 logG= -0.026778 TDE= -0.202283 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001486 tlogG= -0.024156 logG= -0.025642 Density= 0.461740 ETOT(band)= -0.284554 trlgG= -0.364953 logG= -0.025642 TDE= -0.201749 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002620 tlogG= -0.050970 logG= -0.053590 Density= 0.575527 ETOT(band)= -0.410369 trlgG= -0.521399 logG= -0.053590 TDE= -0.404537 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001271 tlogG= -0.025784 logG= -0.027055 Density= 0.239293 ETOT(band)= -0.171892 trlgG= -0.217623 logG= -0.027055 TDE= -0.202041 logGD-logG0= -0.002667 tlogG= -0.050161 logG= -0.052828 Density= 0.864651 ETOT(band)= -0.612062 trlgG= -0.777613 logG= -0.052828 TDE= -0.404319 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002646 tlogG= -0.050568 logG= -0.053214 Density= 0.863791 ETOT(band)= -0.613601 trlgG= -0.779578 logG= -0.053214 TDE= -0.404368 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 28 logGD-logG0= -0.002614 tlogG= -0.051312 logG= -0.053926 Density= 0.575355 ETOT(band)= -0.410653 trlgG= -0.521786 logG= -0.053926 TDE= -0.404495 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003082 tlogG= -0.044692 logG= -0.047774 Density= 0.596603 ETOT(band)= -0.390440 trlgG= -0.495305 logG= -0.047774 TDE= -0.401909 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.003188 tlogG= -0.044199 logG= -0.047387 Density= 0.406575 ETOT(band)= -0.252030 trlgG= -0.319205 logG= -0.047387 TDE= -0.401669 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002839 tlogG= -0.048689 logG= -0.051528 Density= 0.586641 ETOT(band)= -0.399340 trlgG= -0.506934 logG= -0.051528 TDE= -0.403700 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002637 tlogG= -0.050756 logG= -0.053393 Density= 0.863651 ETOT(band)= -0.614277 trlgG= -0.780536 logG= -0.053393 TDE= -0.404470 logGD-logG0= -0.003016 tlogG= -0.047271 logG= -0.050287 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 Density= 0.616669 ETOT(band)= -0.376206 trlgG= -0.481848 logG= -0.050287 TDE= -0.403061 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000651 tlogG= -0.012889 logG= -0.013540 Density= 0.359495 ETOT(band)= -0.256987 trlgG= -0.326523 logG= -0.013540 TDE= -0.101129 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.006616 tlogG= -0.087107 logG= -0.093723 Density= 0.923367 ETOT(band)= -0.559595 trlgG= -0.709089 logG= -0.093723 TDE= -0.802559 logGD-logG0= -0.003150 tlogG= -0.044592 logG= -0.047743 Density= 0.631053 ETOT(band)= -0.362780 trlgG= -0.464016 logG= -0.047743 TDE= -0.401827 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002785 tlogG= -0.047131 logG= -0.049915 Density= 0.583286 ETOT(band)= -0.400735 trlgG= -0.508628 logG= -0.049915 TDE= -0.403108 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002590 tlogG= -0.051659 logG= -0.054249 Density= 0.575033 ETOT(band)= -0.411771 trlgG= -0.522915 logG= -0.054249 TDE= -0.404549 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000649 tlogG= -0.012912 logG= -0.013561 Density= 0.359449 ETOT(band)= -0.257184 trlgG= -0.326730 logG= -0.013561 TDE= -0.101138 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002561 tlogG= -0.051607 logG= -0.054168 Density= 0.383120 ETOT(band)= -0.274809 trlgG= -0.348219 logG= -0.054168 TDE= -0.404162 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005551 tlogG= -0.097943 logG= -0.103494 logGD-logG0= -0.000637 tlogG= -0.012907 logG= -0.013544 Density= 0.359006 ETOT(band)= -0.257833 trlgG= -0.326496 logG= -0.013544 TDE= -0.101027 Density= 1.171212 ETOT(band)= -0.800667 trlgG= -1.016711 logG= -0.103494 TDE= -0.807630 57) Finished k-point 116 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005239 tlogG= -0.101668 logG= -0.106907 Density= 0.863669 ETOT(band)= -0.614502 trlgG= -0.780724 logG= -0.106907 TDE= -0.809062 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005255 tlogG= -0.101902 logG= -0.107157 Density= 0.863401 ETOT(band)= -0.614746 trlgG= -0.781082 logG= -0.107157 TDE= -0.808884 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002607 tlogG= -0.051426 logG= -0.054033 Density= 0.575281 ETOT(band)= -0.410997 trlgG= -0.522193 logG= -0.054033 TDE= -0.404546 logGD-logG0= -0.005810 tlogG= -0.096603 logG= -0.102413 Density= 1.175512 ETOT(band)= -0.796007 trlgG= -1.010032 logG= -0.102413 TDE= -0.806942 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002701 tlogG= -0.049232 logG= -0.051933 Density= 0.578454 ETOT(band)= -0.404628 trlgG= -0.513855 logG= -0.051933 TDE= -0.404054 logGD-logG0= -0.002679 tlogG= -0.049911 logG= -0.052590 Density= 0.865335 ETOT(band)= -0.610918 trlgG= -0.775971 logG= -0.052590 TDE= -0.404178 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002643 tlogG= -0.050371 logG= -0.053014 Density= 0.576273 ETOT(band)= -0.408230 trlgG= -0.518717 logG= -0.053014 TDE= -0.404458 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005315 tlogG= -0.100256 logG= -0.105571 Density= 0.864434 ETOT(band)= -0.611782 trlgG= -0.777201 logG= -0.105571 TDE= -0.808626 logGD-logG0= -0.002553 tlogG= -0.051629 logG= -0.054182 Density= 0.430883 ETOT(band)= -0.309333 trlgG= -0.391771 logG= -0.054182 TDE= -0.404097 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002663 tlogG= -0.049860 logG= -0.052523 Density= 0.576165 ETOT(band)= -0.408538 trlgG= -0.519113 logG= -0.052523 TDE= -0.404303 logGD-logG0= -0.005387 tlogG= -0.098239 logG= -0.103626 Density= 0.865957 ETOT(band)= -0.608005 trlgG= -0.772149 logG= -0.103626 TDE= -0.808107 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002911 tlogG= -0.046901 logG= -0.049812 Density= 0.589823 ETOT(band)= -0.393659 trlgG= -0.498945 logG= -0.049812 TDE= -0.402963 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005254 tlogG= -0.101765 logG= -0.107019 Density= 1.151535 ETOT(band)= -0.819288 trlgG= -1.041031 logG= -0.107019 TDE= -0.809078 logGD-logG0= -0.005407 tlogG= -0.098240 logG= -0.103647 Density= 1.155647 ETOT(band)= -0.809485 trlgG= -1.027493 logG= -0.103647 TDE= -0.807826 38) Finished k-point 78 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005241 tlogG= -0.102196 logG= -0.107436 Density= 0.863287 ETOT(band)= -0.615331 trlgG= -0.781858 logG= -0.107436 TDE= -0.809032 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005306 tlogG= -0.100732 logG= -0.106038 Density= 1.152473 ETOT(band)= -0.816694 trlgG= -1.037716 logG= -0.106038 TDE= -0.808871 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001293 tlogG= -0.025737 logG= -0.027031 Density= 0.431301 ETOT(band)= -0.308665 trlgG= -0.391755 logG= -0.027031 TDE= -0.202234 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005149 tlogG= -0.103118 logG= -0.108267 Density= 0.862376 ETOT(band)= -0.617763 trlgG= -0.783604 logG= -0.108267 TDE= -0.808710 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002990 tlogG= -0.045261 logG= -0.048251 Density= 0.447973 ETOT(band)= -0.292255 trlgG= -0.370869 logG= -0.048251 TDE= -0.402254 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.005966 tlogG= -0.092845 logG= -0.098812 Density= 1.187226 ETOT(band)= -0.780784 trlgG= -0.989676 logG= -0.098812 TDE= -0.805351 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005183 tlogG= -0.102917 logG= -0.108100 Density= 0.862735 ETOT(band)= -0.617059 trlgG= -0.783443 logG= -0.108100 TDE= -0.809026 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005380 tlogG= -0.098821 logG= -0.104201 Density= 1.154498 ETOT(band)= -0.811332 trlgG= -1.030234 logG= -0.104201 TDE= -0.808160 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005463 tlogG= -0.098594 logG= -0.104057 Density= 1.166695 ETOT(band)= -0.804371 trlgG= -1.021796 logG= -0.104057 TDE= -0.808001 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002762 tlogG= -0.047545 logG= -0.050307 Density= 0.581075 ETOT(band)= -0.402645 trlgG= -0.511240 logG= -0.050307 TDE= -0.403358 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005587 tlogG= -0.095363 logG= -0.100950 Density= 1.173263 ETOT(band)= -0.793687 trlgG= -1.006993 logG= -0.100950 TDE= -0.806766 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005335 tlogG= -0.099793 logG= -0.105128 Density= 0.864581 ETOT(band)= -0.610978 trlgG= -0.775956 logG= -0.105128 TDE= -0.808360 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005684 tlogG= -0.094526 logG= -0.100210 Density= 1.177128 ETOT(band)= -0.789952 trlgG= -1.001624 logG= -0.100210 TDE= -0.806256 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Sum of eigenvalues= -385.526362677520 eV TrLogG= -489.324466551617 eV Ratio to renormalize= 1.000767080818 rho-rho_expected=-0.031426207098 nargs= 1 argi=dmft2.def 3) Finished k-point number 7 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 11) Finished k-point number 23 1 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 52) Finished k-point number 106 2 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 31) Finished k-point number 63 1 with #bands= 19 44) Finished k-point number 89 1 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 9) Finished k-point number 19 1 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 18) Finished k-point number 37 1 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 44) Finished k-point number 90 2 with #bands= 19 32) Finished k-point number 65 1 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 48) Finished k-point number 98 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 55) Finished k-point number 112 2 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 51) Finished k-point number 104 2 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 49) Finished k-point number 99 1 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 0) Finished k-point number 2 2 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 49) Finished k-point number 100 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 42) Finished k-point number 85 1 with #bands= 19 24) Finished k-point number 49 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 50) Finished k-point number 102 2 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 10) Finished k-point number 21 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 16) Finished k-point number 34 2 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 23) Finished k-point number 47 1 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.862433967923795 0.869657218107426 0.847558301741948 0) Finished k-point number 1 1 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 55) Finished k-point number 111 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 50) Finished k-point number 101 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 31) Finished k-point number 63 1 with #bands= 19 16) Finished k-point number 33 1 with #bands= 19 17) Finished k-point number 35 1 with #bands= 19 39) Finished k-point number 79 1 with #bands= 19 30) Finished k-point number 61 1 with #bands= 19 7) Finished k-point number 15 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 19) Finished k-point number 39 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 6) Finished k-point number 14 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 32) Finished k-point number 66 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 58) Finished k-point number 118 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 1) Finished k-point number 4 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 40) Finished k-point number 82 2 with #bands= 19 10) Finished k-point number 22 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 37) Finished k-point number 76 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 44) Finished k-point number 90 2 with #bands= 19 9) Finished k-point number 20 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 36) Finished k-point number 74 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 16) Finished k-point number 34 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 9.33656879862555 Density= 40.9826706843113 41.0000000000000 EF 9.60868263073913 Density= 41.3952214750900 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.70622521 0.68622521 0.395221 -0.173293E-01 1 0.69622521 0.68622523 0.228229 -0.173293E-01 2 0.69122522 0.68622498 0.105371 -0.173293E-01 3 0.68872510 0.68622511 0.261799E-01 -0.173293E-01 4 0.68747510 0.68622504 0.161242E-02 -0.173293E-01 5 0.68737840 0.68622504 0.124216E-03 -0.173293E-01 6 0.68737031 0.68737840 -0.759012E-07 0.124216E-03 7 0.68737032 0.68737840 -0.513012E-11 0.124216E-03 Absolute convergence of |F(X)|. Difference in EF= 0.0155799822 EF set to : 9.3521487809 new EF (no-mixing): 9.3521487809 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.000892 tlogG= -0.017244 logG= -0.018135 Density= 0.095825 ETOT(band)= -0.068691 trlgG= -0.087084 logG= -0.018135 TDE= -0.134816 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000681 tlogG= -0.012974 logG= -0.013655 Density= 0.071950 ETOT(band)= -0.051458 trlgG= -0.065443 logG= -0.013655 TDE= -0.101245 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002733 tlogG= -0.051714 logG= -0.054446 logGD-logG0= -0.001327 tlogG= -0.013728 logG= -0.015055 Density= 0.111376 ETOT(band)= -0.055651 trlgG= -0.071979 logG= -0.015055 TDE= -0.133481 Density= 0.287881 ETOT(band)= -0.205622 trlgG= -0.261560 logG= -0.054446 TDE= -0.404994 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000920 tlogG= -0.016978 logG= -0.017899 Density= 0.096068 ETOT(band)= -0.068256 trlgG= -0.086848 logG= -0.017899 TDE= -0.134984 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002793 tlogG= -0.050687 logG= -0.053481 Density= 0.288357 ETOT(band)= -0.204418 trlgG= -0.260188 logG= -0.053481 TDE= -0.404915 logGD-logG0= -0.001176 tlogG= -0.014384 logG= -0.015560 Density= 0.101335 ETOT(band)= -0.062956 trlgG= -0.079720 logG= -0.015560 TDE= -0.133815 37) Finished k-point 75 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.001006 tlogG= -0.015449 logG= -0.016455 logGD-logG0= -0.000902 tlogG= -0.017226 logG= -0.018128 Density= 0.095911 ETOT(band)= -0.068599 trlgG= -0.087108 logG= -0.018128 TDE= -0.134907 Density= 0.098036 ETOT(band)= -0.065706 trlgG= -0.083467 logG= -0.016455 TDE= -0.134399 logGD-logG0= -0.002741 tlogG= -0.051688 logG= -0.054429 Density= 0.287915 ETOT(band)= -0.205512 trlgG= -0.261512 logG= -0.054429 TDE= -0.404987 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002764 tlogG= -0.051244 logG= -0.054007 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.288075 ETOT(band)= -0.204995 trlgG= -0.260898 logG= -0.054007 TDE= -0.404905 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.005493 tlogG= -0.102888 logG= -0.108381 Density= 0.575995 ETOT(band)= -0.410622 trlgG= -0.522466 logG= -0.108381 TDE= -0.810007 logGD-logG0= -0.002756 tlogG= -0.051381 logG= -0.054137 Density= 0.288033 ETOT(band)= -0.205178 trlgG= -0.261125 logG= -0.054137 TDE= -0.404974 logGD-logG0= -0.002764 tlogG= -0.051173 logG= -0.053937 Density= 0.288123 ETOT(band)= -0.204995 trlgG= -0.260892 logG= -0.053937 TDE= -0.405001 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.000667 tlogG= -0.012921 logG= -0.013588 Density= 0.071855 ETOT(band)= -0.051520 trlgG= -0.065305 logG= -0.013588 TDE= -0.101108 logGD-logG0= -0.002748 tlogG= -0.051583 logG= -0.054331 Density= 0.287956 ETOT(band)= -0.205350 trlgG= -0.261339 logG= -0.054331 TDE= -0.404940 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 25 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003018 tlogG= -0.048706 logG= -0.051724 Density= 0.293855 ETOT(band)= -0.199485 trlgG= -0.253745 logG= -0.051724 TDE= -0.404008 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003657 tlogG= -0.042445 logG= -0.046102 Density= 0.313499 ETOT(band)= -0.181844 trlgG= -0.231642 logG= -0.046102 TDE= -0.401029 logGD-logG0= -0.003521 tlogG= -0.043206 logG= -0.046727 Density= 0.317865 ETOT(band)= -0.179377 trlgG= -0.229726 logG= -0.046727 TDE= -0.401490 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002681 tlogG= -0.051778 logG= -0.054459 Density= 0.287522 ETOT(band)= -0.206069 trlgG= -0.261304 logG= -0.054459 TDE= -0.404479 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003125 tlogG= -0.045730 logG= -0.048855 Density= 0.295228 ETOT(band)= -0.196031 trlgG= -0.248719 logG= -0.048855 TDE= -0.402796 logGD-logG0= -0.001479 tlogG= -0.024539 logG= -0.026019 logGD-logG0= -0.003195 tlogG= -0.046248 logG= -0.049443 Density= 0.146326 ETOT(band)= -0.100285 trlgG= -0.127550 logG= -0.026019 TDE= -0.202111 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 Density= 0.308285 ETOT(band)= -0.187574 trlgG= -0.240526 logG= -0.049443 TDE= -0.402989 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003000 tlogG= -0.048133 logG= -0.051133 Density= 0.293045 ETOT(band)= -0.199495 trlgG= -0.253559 logG= -0.051133 TDE= -0.403857 20) Finished k-point 41 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002905 tlogG= -0.049351 logG= -0.052256 Density= 0.291905 ETOT(band)= -0.201183 trlgG= -0.255943 logG= -0.052256 TDE= -0.404334 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001345 tlogG= -0.025891 logG= -0.027237 Density= 0.143802 ETOT(band)= -0.103000 trlgG= -0.130673 logG= -0.027237 TDE= -0.202282 logGD-logG0= -0.002723 tlogG= -0.051545 logG= -0.054267 Density= 0.287865 ETOT(band)= -0.205564 trlgG= -0.261264 logG= -0.054267 TDE= -0.404866 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003101 tlogG= -0.048218 logG= -0.051319 Density= 0.307517 ETOT(band)= -0.189780 trlgG= -0.243791 logG= -0.051319 TDE= -0.403850 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006124 tlogG= -0.095424 logG= -0.101549 logGD-logG0= -0.002706 tlogG= -0.051760 logG= -0.054466 Density= 0.287716 ETOT(band)= -0.205872 trlgG= -0.261456 logG= -0.054466 TDE= -0.404757 logGD-logG0= -0.002728 tlogG= -0.051537 logG= -0.054266 Density= 0.287890 ETOT(band)= -0.205533 trlgG= -0.261296 logG= -0.054266 TDE= -0.404918 Density= 0.588930 ETOT(band)= -0.396437 trlgG= -0.503951 logG= -0.101549 TDE= -0.807215 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002892 tlogG= -0.048368 logG= -0.051260 Density= 0.289411 ETOT(band)= -0.201681 trlgG= -0.256472 logG= -0.051260 TDE= -0.404146 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005884 tlogG= -0.096889 logG= -0.102773 Density= 0.584743 ETOT(band)= -0.400201 trlgG= -0.508816 logG= -0.102773 TDE= -0.807978 logGD-logG0= -0.002695 tlogG= -0.051843 logG= -0.054539 Density= 0.287626 ETOT(band)= -0.206020 trlgG= -0.261500 logG= -0.054539 TDE= -0.404667 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002788 tlogG= -0.050681 logG= -0.053468 Density= 0.288269 ETOT(band)= -0.204393 trlgG= -0.260109 logG= -0.053468 TDE= -0.404789 logGD-logG0= -0.006019 tlogG= -0.093282 logG= -0.099301 Density= 0.586667 ETOT(band)= -0.395742 trlgG= -0.502628 logG= -0.099301 TDE= -0.806585 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002869 tlogG= -0.049667 logG= -0.052536 Density= 0.290739 ETOT(band)= -0.202117 trlgG= -0.257204 logG= -0.052536 TDE= -0.404514 logGD-logG0= -0.002849 tlogG= -0.049288 logG= -0.052137 Density= 0.288797 ETOT(band)= -0.202856 trlgG= -0.257991 logG= -0.052137 TDE= -0.404364 22) Finished k-point 45 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.005754 tlogG= -0.097427 logG= -0.103182 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.578485 ETOT(band)= -0.404182 trlgG= -0.513970 logG= -0.103182 TDE= -0.808421 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002787 tlogG= -0.050487 logG= -0.053274 Density= 0.288407 ETOT(band)= -0.204219 trlgG= -0.259917 logG= -0.053274 TDE= -0.404885 logGD-logG0= -0.002743 tlogG= -0.051359 logG= -0.054102 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.288007 ETOT(band)= -0.205271 trlgG= -0.261105 logG= -0.054102 TDE= -0.404971 logGD-logG0= -0.005670 tlogG= -0.099712 logG= -0.105382 Density= 0.577714 ETOT(band)= -0.406673 trlgG= -0.517379 logG= -0.105382 TDE= -0.809101 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002712 tlogG= -0.051863 logG= -0.054575 Density= 0.287737 ETOT(band)= -0.205911 trlgG= -0.261662 logG= -0.054575 TDE= -0.404868 logGD-logG0= -0.002836 tlogG= -0.049569 logG= -0.052405 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.288732 ETOT(band)= -0.203159 trlgG= -0.258471 logG= -0.052405 TDE= -0.404532 logGD-logG0= -0.005593 tlogG= -0.101089 logG= -0.106682 Density= 0.576670 ETOT(band)= -0.408482 trlgG= -0.519822 logG= -0.106682 TDE= -0.809526 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005573 tlogG= -0.101246 logG= -0.106819 Density= 0.576678 ETOT(band)= -0.408730 trlgG= -0.520216 logG= -0.106819 TDE= -0.809789 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005788 tlogG= -0.096738 logG= -0.102526 Density= 0.579021 ETOT(band)= -0.403238 trlgG= -0.512535 logG= -0.102526 TDE= -0.808011 logGD-logG0= -0.002892 tlogG= -0.048503 logG= -0.051395 Density= 0.289774 ETOT(band)= -0.201599 trlgG= -0.256380 logG= -0.051395 TDE= -0.404167 logGD-logG0= -0.005636 tlogG= -0.100034 logG= -0.105670 Density= 0.577226 ETOT(band)= -0.407309 trlgG= -0.518363 logG= -0.105670 TDE= -0.809461 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002817 tlogG= -0.049891 logG= -0.052708 logGD-logG0= -0.005499 tlogG= -0.102620 logG= -0.108119 Density= 0.576079 ETOT(band)= -0.410409 trlgG= -0.522132 logG= -0.108119 TDE= -0.809993 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.288660 ETOT(band)= -0.203517 trlgG= -0.259018 logG= -0.052708 TDE= -0.404727 logGD-logG0= -0.002725 tlogG= -0.051692 logG= -0.054418 Density= 0.287838 ETOT(band)= -0.205687 trlgG= -0.261502 logG= -0.054418 TDE= -0.404936 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002779 tlogG= -0.050861 logG= -0.053639 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.288225 ETOT(band)= -0.204607 trlgG= -0.260409 logG= -0.053639 TDE= -0.404887 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006116 tlogG= -0.092304 logG= -0.098419 Density= 0.588843 ETOT(band)= -0.393657 trlgG= -0.499652 logG= -0.098419 TDE= -0.805986 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002834 tlogG= -0.049957 logG= -0.052791 Density= 0.288990 ETOT(band)= -0.203382 trlgG= -0.258828 logG= -0.052791 TDE= -0.404680 logGD-logG0= -0.005574 tlogG= -0.101481 logG= -0.107055 Density= 0.576563 ETOT(band)= -0.408944 trlgG= -0.520476 logG= -0.107055 TDE= -0.809733 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002774 tlogG= -0.050934 logG= -0.053708 Density= 0.288224 ETOT(band)= -0.204738 trlgG= -0.260571 logG= -0.053708 TDE= -0.404980 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005806 tlogG= -0.097609 logG= -0.103415 Density= 0.582614 ETOT(band)= -0.402022 trlgG= -0.511346 logG= -0.103415 TDE= -0.808402 logGD-logG0= -0.006406 tlogG= -0.090347 logG= -0.096753 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.598000 ETOT(band)= -0.386184 trlgG= -0.490620 logG= -0.096753 TDE= -0.804914 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.005644 tlogG= -0.100233 logG= -0.105877 Density= 0.577298 ETOT(band)= -0.407416 trlgG= -0.518457 logG= -0.105877 TDE= -0.809397 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000111 tlogG= -0.002152 logG= -0.002263 Density= 0.083829 ETOT(band)= -0.060107 trlgG= -0.076188 logG= -0.002263 TDE= -0.016851 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.001336 tlogG= -0.025857 logG= -0.027193 Density= 0.239549 ETOT(band)= -0.171732 trlgG= -0.217709 logG= -0.027193 TDE= -0.202224 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000684 tlogG= -0.012949 logG= -0.013633 Density= 0.359884 ETOT(band)= -0.256919 trlgG= -0.326922 logG= -0.013633 TDE= -0.101246 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000686 tlogG= -0.012925 logG= -0.013611 Density= 0.359935 ETOT(band)= -0.256719 trlgG= -0.326711 logG= -0.013611 TDE= -0.101238 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000951 tlogG= -0.016379 logG= -0.017330 Density= 0.168281 ETOT(band)= -0.119001 trlgG= -0.151382 logG= -0.017330 TDE= -0.134824 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002728 tlogG= -0.051806 logG= -0.054534 Density= 0.575719 ETOT(band)= -0.411352 trlgG= -0.523226 logG= -0.054534 TDE= -0.404984 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002746 tlogG= -0.051573 logG= -0.054320 Density= 0.575992 ETOT(band)= -0.410565 trlgG= -0.522493 logG= -0.054320 TDE= -0.404982 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002741 tlogG= -0.051300 logG= -0.054041 Density= 0.384086 ETOT(band)= -0.273482 trlgG= -0.347862 logG= -0.054041 TDE= -0.404948 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000669 tlogG= -0.012944 logG= -0.013613 Density= 0.359396 ETOT(band)= -0.257591 trlgG= -0.326633 logG= -0.013613 TDE= -0.101120 57) Finished k-point 116 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003806 tlogG= -0.041834 logG= -0.045640 Density= 0.430652 ETOT(band)= -0.233181 trlgG= -0.298897 logG= -0.045640 TDE= -0.400739 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002742 tlogG= -0.051559 logG= -0.054301 Density= 0.863945 ETOT(band)= -0.616066 trlgG= -0.783850 logG= -0.054301 TDE= -0.405012 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003303 tlogG= -0.044349 logG= -0.047652 Density= 0.403702 ETOT(band)= -0.253675 trlgG= -0.321636 logG= -0.047652 TDE= -0.402102 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002942 tlogG= -0.047443 logG= -0.050385 Density= 0.388693 ETOT(band)= -0.265821 trlgG= -0.337787 logG= -0.050385 TDE= -0.403724 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002744 tlogG= -0.051427 logG= -0.054171 Density= 0.864068 ETOT(band)= -0.615756 trlgG= -0.783355 logG= -0.054171 TDE= -0.405006 logGD-logG0= -0.005421 tlogG= -0.103413 logG= -0.108834 Density= 0.863377 ETOT(band)= -0.617152 trlgG= -0.784091 logG= -0.108834 TDE= -0.809583 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002814 tlogG= -0.050009 logG= -0.052823 Density= 0.576951 ETOT(band)= -0.408074 trlgG= -0.519378 logG= -0.052823 TDE= -0.404738 logGD-logG0= -0.003212 tlogG= -0.044842 logG= -0.048054 Density= 0.594335 ETOT(band)= -0.391662 trlgG= -0.497600 logG= -0.048054 TDE= -0.402342 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.003132 tlogG= -0.045411 logG= -0.048544 Density= 0.445090 ETOT(band)= -0.293928 trlgG= -0.373420 logG= -0.048544 TDE= -0.402688 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.001413 tlogG= -0.025078 logG= -0.026492 Density= 0.433438 ETOT(band)= -0.305190 trlgG= -0.388401 logG= -0.026492 TDE= -0.202371 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001384 tlogG= -0.025539 logG= -0.026923 Density= 0.432307 ETOT(band)= -0.307192 trlgG= -0.390958 logG= -0.026923 TDE= -0.202502 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002754 tlogG= -0.051459 logG= -0.054214 Density= 0.576075 ETOT(band)= -0.410215 trlgG= -0.522080 logG= -0.054214 TDE= -0.404931 logGD-logG0= -0.002790 tlogG= -0.050716 logG= -0.053506 Density= 0.864947 ETOT(band)= -0.612908 trlgG= -0.779978 logG= -0.053506 TDE= -0.404803 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002699 tlogG= -0.051809 logG= -0.054509 Density= 0.575377 ETOT(band)= -0.411834 trlgG= -0.522925 logG= -0.054509 TDE= -0.404690 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002763 tlogG= -0.051118 logG= -0.053880 logGD-logG0= -0.003282 tlogG= -0.044768 logG= -0.048050 Density= 0.576257 ETOT(band)= -0.409930 trlgG= -0.521691 logG= -0.053880 TDE= -0.404974 Density= 0.628220 ETOT(band)= -0.364396 trlgG= -0.466733 logG= -0.048050 TDE= -0.402285 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002781 tlogG= -0.050904 logG= -0.053685 Density= 0.864788 ETOT(band)= -0.613595 trlgG= -0.780949 logG= -0.053685 TDE= -0.404906 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002950 tlogG= -0.047280 logG= -0.050229 Density= 0.582690 ETOT(band)= -0.401075 trlgG= -0.509838 logG= -0.050229 TDE= -0.403542 logGD-logG0= -0.003136 tlogG= -0.047445 logG= -0.050581 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.616073 ETOT(band)= -0.376509 trlgG= -0.483063 logG= -0.050581 TDE= -0.403521 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001544 tlogG= -0.024242 logG= -0.025786 Density= 0.461232 ETOT(band)= -0.284812 trlgG= -0.365898 logG= -0.025786 TDE= -0.201979 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002969 tlogG= -0.048837 logG= -0.051806 Density= 0.585796 ETOT(band)= -0.399792 trlgG= -0.508271 logG= -0.051806 TDE= -0.404134 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003050 tlogG= -0.047049 logG= -0.050100 Density= 0.588791 ETOT(band)= -0.394245 trlgG= -0.500430 logG= -0.050100 TDE= -0.403397 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.006058 tlogG= -0.096899 logG= -0.102956 Density= 1.176913 ETOT(band)= -0.794781 trlgG= -1.010557 logG= -0.102956 TDE= -0.807812 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002815 tlogG= -0.050309 logG= -0.053123 Density= 0.865876 ETOT(band)= -0.611338 trlgG= -0.777975 logG= -0.053123 TDE= -0.404755 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002694 tlogG= -0.051754 logG= -0.054449 Density= 0.383549 ETOT(band)= -0.274544 trlgG= -0.348432 logG= -0.054449 TDE= -0.404589 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006824 tlogG= -0.087412 logG= -0.094237 Density= 0.923801 ETOT(band)= -0.558572 trlgG= -0.709802 logG= -0.094237 TDE= -0.803427 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.005828 tlogG= -0.098238 logG= -0.104066 Density= 1.168786 ETOT(band)= -0.802016 trlgG= -1.019926 logG= -0.104066 TDE= -0.808499 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002927 tlogG= -0.047695 logG= -0.050622 Density= 0.580861 ETOT(band)= -0.402770 trlgG= -0.512197 logG= -0.050622 TDE= -0.403793 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005632 tlogG= -0.100089 logG= -0.105721 Density= 0.865804 ETOT(band)= -0.610254 trlgG= -0.776324 logG= -0.105721 TDE= -0.809230 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002827 tlogG= -0.050058 logG= -0.052885 Density= 0.866495 ETOT(band)= -0.610233 trlgG= -0.776377 logG= -0.052885 TDE= -0.404613 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005540 tlogG= -0.102196 logG= -0.107736 Density= 0.864515 ETOT(band)= -0.614074 trlgG= -0.781505 logG= -0.107736 TDE= -0.809755 logGD-logG0= -0.005685 tlogG= -0.099117 logG= -0.104802 Density= 1.156212 ETOT(band)= -0.810336 trlgG= -1.030689 logG= -0.104802 TDE= -0.809030 logGD-logG0= -0.005527 tlogG= -0.101965 logG= -0.107492 Density= 0.864780 ETOT(band)= -0.613841 trlgG= -0.781161 logG= -0.107492 TDE= -0.809935 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005460 tlogG= -0.103213 logG= -0.108672 Density= 0.863772 ETOT(band)= -0.616430 trlgG= -0.783913 logG= -0.108672 TDE= -0.809899 logGD-logG0= -0.002855 tlogG= -0.049380 logG= -0.052235 Density= 0.579046 ETOT(band)= -0.404291 trlgG= -0.514267 logG= -0.052235 TDE= -0.404489 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000673 tlogG= -0.012967 logG= -0.013640 Density= 0.359524 ETOT(band)= -0.257538 trlgG= -0.326880 logG= -0.013640 TDE= -0.101161 logGD-logG0= -0.000677 tlogG= -0.012979 logG= -0.013657 Density= 0.359662 ETOT(band)= -0.257407 trlgG= -0.327092 logG= -0.013657 TDE= -0.101212 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005541 tlogG= -0.102061 logG= -0.107601 Density= 1.153033 ETOT(band)= -0.818394 trlgG= -1.041598 logG= -0.107601 TDE= -0.809950 38) Finished k-point 78 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005611 tlogG= -0.100552 logG= -0.106163 Density= 0.865634 ETOT(band)= -0.611073 trlgG= -0.777586 logG= -0.106163 TDE= -0.809497 logGD-logG0= -0.005699 tlogG= -0.098537 logG= -0.104235 Density= 0.867269 ETOT(band)= -0.607251 trlgG= -0.772483 logG= -0.104235 TDE= -0.808978 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005894 tlogG= -0.095660 logG= -0.101554 Density= 1.170684 ETOT(band)= -0.795188 trlgG= -1.010381 logG= -0.101554 TDE= -0.807635 logGD-logG0= -0.005524 tlogG= -0.102491 logG= -0.108015 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.864387 ETOT(band)= -0.614667 trlgG= -0.782291 logG= -0.108015 TDE= -0.809904 logGD-logG0= -0.002790 tlogG= -0.050519 logG= -0.053309 Density= 0.577055 ETOT(band)= -0.407771 trlgG= -0.518988 logG= -0.053309 TDE= -0.404894 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002684 tlogG= -0.051776 logG= -0.054461 Density= 0.431356 ETOT(band)= -0.309039 trlgG= -0.391964 logG= -0.054461 TDE= -0.404486 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005714 tlogG= -0.098536 logG= -0.104249 Density= 1.157198 ETOT(band)= -0.808585 trlgG= -1.028058 logG= -0.104249 TDE= -0.808696 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005600 tlogG= -0.101028 logG= -0.106627 Density= 1.154069 ETOT(band)= -0.815752 trlgG= -1.038229 logG= -0.106627 TDE= -0.809743 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005978 tlogG= -0.094823 logG= -0.100801 Density= 1.174746 ETOT(band)= -0.791321 trlgG= -1.004844 logG= -0.100801 TDE= -0.807124 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005754 tlogG= -0.098889 logG= -0.104643 Density= 1.164378 ETOT(band)= -0.805689 trlgG= -1.024973 logG= -0.104643 TDE= -0.808871 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001362 tlogG= -0.025811 logG= -0.027173 Density= 0.431812 ETOT(band)= -0.308354 trlgG= -0.391994 logG= -0.027173 TDE= -0.202452 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006234 tlogG= -0.093144 logG= -0.099378 Density= 1.188989 ETOT(band)= -0.779265 trlgG= -0.989989 logG= -0.099378 TDE= -0.806220 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002717 tlogG= -0.051796 logG= -0.054513 Density= 0.575614 ETOT(band)= -0.411510 trlgG= -0.523095 logG= -0.054513 TDE= -0.404888 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Sum of eigenvalues= -385.405155156037 eV TrLogG= -490.072864407425 eV Ratio to renormalize= 1.000505145460 rho-rho_expected=-0.020700507105 nargs= 1 argi=dmft2.def 15) Finished k-point number 31 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 45) Finished k-point number 92 2 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 57) Finished k-point number 116 2 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 12) Finished k-point number 25 1 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 26) Finished k-point number 53 1 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 56) Finished k-point number 113 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 38) Finished k-point number 78 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 30) Finished k-point number 61 1 with #bands= 19 59) Finished k-point number 120 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 22) Finished k-point number 45 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 39) Finished k-point number 80 2 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 30) Finished k-point number 62 2 with #bands= 19 1) Finished k-point number 4 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 8) Finished k-point number 17 1 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 28) Finished k-point number 57 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 19) Finished k-point number 40 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 32) Finished k-point number 65 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 24) Finished k-point number 49 1 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 31) Finished k-point number 64 2 with #bands= 19 0) Finished k-point number 1 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.862390852559008 0.869614251432961 0.847514019718047 58) Finished k-point number 117 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 41) Finished k-point number 83 1 with #bands= 19 50) Finished k-point number 101 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 1) Finished k-point number 3 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 37) Finished k-point number 75 1 with #bands= 19 10) Finished k-point number 21 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 16) Finished k-point number 33 1 with #bands= 19 56) Finished k-point number 113 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 19) Finished k-point number 39 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 51) Finished k-point number 103 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 30) Finished k-point number 62 2 with #bands= 19 31) Finished k-point number 64 2 with #bands= 19 58) Finished k-point number 118 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 41) Finished k-point number 84 2 with #bands= 19 34) Finished k-point number 70 2 with #bands= 19 20) Finished k-point number 42 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 55) Finished k-point number 112 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 28) Finished k-point number 58 2 with #bands= 19 49) Finished k-point number 100 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 24) Finished k-point number 50 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 7) Finished k-point number 16 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 9.35214878085374 Density= 40.9950854823568 41.0000000000000 EF 9.62426261296732 Density= 41.4102930117707 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.70737032 0.68737032 0.410293 -0.491452E-02 1 0.69737032 0.68737034 0.242315 -0.491452E-02 2 0.69237033 0.68737057 0.132060 -0.491452E-02 3 0.68987045 0.68737069 0.490639E-01 -0.491452E-02 4 0.68862057 0.68737039 0.164335E-01 -0.491452E-02 5 0.68799548 0.68737030 0.468731E-02 -0.491452E-02 6 0.68770311 0.68737030 0.183173E-03 -0.491452E-02 7 0.68769119 0.68770311 -0.874070E-07 0.183173E-03 8 0.68769120 0.68770311 -0.941469E-11 0.183173E-03 Absolute convergence of |F(X)|. Difference in EF= 0.0043657524 EF set to : 9.3565145333 new EF (no-mixing): 9.3565145333 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.000891 tlogG= -0.017261 logG= -0.018153 Density= 0.095826 ETOT(band)= -0.068696 trlgG= -0.087105 logG= -0.018153 TDE= -0.134851 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001327 tlogG= -0.013748 logG= -0.015075 Density= 0.111375 ETOT(band)= -0.055653 trlgG= -0.072001 logG= -0.015075 TDE= -0.133518 logGD-logG0= -0.000920 tlogG= -0.016996 logG= -0.017916 Density= 0.096069 ETOT(band)= -0.068260 trlgG= -0.086871 logG= -0.017916 TDE= -0.135020 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002732 tlogG= -0.051766 logG= -0.054499 Density= 0.287883 ETOT(band)= -0.205637 trlgG= -0.261628 logG= -0.054499 TDE= -0.405104 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.000681 tlogG= -0.012987 logG= -0.013668 Density= 0.071951 ETOT(band)= -0.051462 trlgG= -0.065460 logG= -0.013668 TDE= -0.101272 logGD-logG0= -0.000667 tlogG= -0.012934 logG= -0.013601 Density= 0.071855 ETOT(band)= -0.051524 trlgG= -0.065322 logG= -0.013601 TDE= -0.101135 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 25 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001176 tlogG= -0.014403 logG= -0.015579 Density= 0.101335 ETOT(band)= -0.062962 trlgG= -0.079745 logG= -0.015579 TDE= -0.133853 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002793 tlogG= -0.050741 logG= -0.053534 Density= 0.288359 ETOT(band)= -0.204433 trlgG= -0.260256 logG= -0.053534 TDE= -0.405025 37) Finished k-point 75 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002764 tlogG= -0.051226 logG= -0.053990 Density= 0.288125 ETOT(band)= -0.205010 trlgG= -0.260960 logG= -0.053990 TDE= -0.405111 logGD-logG0= -0.000902 tlogG= -0.017244 logG= -0.018146 Density= 0.095912 ETOT(band)= -0.068604 trlgG= -0.087131 logG= -0.018146 TDE= -0.134943 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.001006 tlogG= -0.015468 logG= -0.016474 Density= 0.098038 ETOT(band)= -0.065710 trlgG= -0.083489 logG= -0.016474 TDE= -0.134436 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005493 tlogG= -0.102994 logG= -0.108487 Density= 0.575999 ETOT(band)= -0.410651 trlgG= -0.522603 logG= -0.108487 TDE= -0.810226 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002756 tlogG= -0.051434 logG= -0.054189 Density= 0.288035 ETOT(band)= -0.205193 trlgG= -0.261194 logG= -0.054189 TDE= -0.405084 logGD-logG0= -0.002763 tlogG= -0.051297 logG= -0.054060 Density= 0.288077 ETOT(band)= -0.205010 trlgG= -0.260968 logG= -0.054060 TDE= -0.405015 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002748 tlogG= -0.051636 logG= -0.054384 Density= 0.287958 ETOT(band)= -0.205365 trlgG= -0.261408 logG= -0.054384 TDE= -0.405050 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003656 tlogG= -0.042504 logG= -0.046161 Density= 0.313387 ETOT(band)= -0.181934 trlgG= -0.231790 logG= -0.046161 TDE= -0.401142 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.001345 tlogG= -0.025918 logG= -0.027263 Density= 0.143803 ETOT(band)= -0.103007 trlgG= -0.130707 logG= -0.027263 TDE= -0.202336 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002741 tlogG= -0.051742 logG= -0.054482 Density= 0.287917 ETOT(band)= -0.205527 trlgG= -0.261581 logG= -0.054482 TDE= -0.405097 logGD-logG0= -0.003521 tlogG= -0.043264 logG= -0.046785 Density= 0.317865 ETOT(band)= -0.179388 trlgG= -0.229794 logG= -0.046785 TDE= -0.401603 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.001479 tlogG= -0.024566 logG= -0.026046 Density= 0.146327 ETOT(band)= -0.100292 trlgG= -0.127585 logG= -0.026046 TDE= -0.202167 logGD-logG0= -0.003125 tlogG= -0.045786 logG= -0.048911 Density= 0.295232 ETOT(band)= -0.196046 trlgG= -0.248790 logG= -0.048911 TDE= -0.402908 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002904 tlogG= -0.049406 logG= -0.052310 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 Density= 0.291905 ETOT(band)= -0.201199 trlgG= -0.256014 logG= -0.052310 TDE= -0.404444 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003017 tlogG= -0.048761 logG= -0.051778 Density= 0.293827 ETOT(band)= -0.199520 trlgG= -0.253835 logG= -0.051778 TDE= -0.404119 logGD-logG0= -0.003100 tlogG= -0.048273 logG= -0.051373 Density= 0.307518 ETOT(band)= -0.189790 trlgG= -0.243856 logG= -0.051373 TDE= -0.403961 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003194 tlogG= -0.046304 logG= -0.049498 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.308287 ETOT(band)= -0.187585 trlgG= -0.240592 logG= -0.049498 TDE= -0.403101 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002891 tlogG= -0.048423 logG= -0.051314 Density= 0.289413 ETOT(band)= -0.201697 trlgG= -0.256543 logG= -0.051314 TDE= -0.404256 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002999 tlogG= -0.048188 logG= -0.051187 Density= 0.293046 ETOT(band)= -0.199510 trlgG= -0.253630 logG= -0.051187 TDE= -0.403968 logGD-logG0= -0.002680 tlogG= -0.051831 logG= -0.054512 Density= 0.287524 ETOT(band)= -0.206083 trlgG= -0.261370 logG= -0.054512 TDE= -0.404586 20) Finished k-point 41 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006123 tlogG= -0.095535 logG= -0.101659 Density= 0.588863 ETOT(band)= -0.396516 trlgG= -0.504141 logG= -0.101659 TDE= -0.807438 logGD-logG0= -0.005883 tlogG= -0.096999 logG= -0.102882 Density= 0.584744 ETOT(band)= -0.400233 trlgG= -0.508958 logG= -0.102882 TDE= -0.808200 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002722 tlogG= -0.051598 logG= -0.054320 Density= 0.287867 ETOT(band)= -0.205579 trlgG= -0.261332 logG= -0.054320 TDE= -0.404976 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002787 tlogG= -0.050541 logG= -0.053327 Density= 0.288409 ETOT(band)= -0.204235 trlgG= -0.259985 logG= -0.053327 TDE= -0.404994 logGD-logG0= -0.002787 tlogG= -0.050734 logG= -0.053522 Density= 0.288271 ETOT(band)= -0.204408 trlgG= -0.260179 logG= -0.053522 TDE= -0.404899 logGD-logG0= -0.002868 tlogG= -0.049722 logG= -0.052590 Density= 0.290740 ETOT(band)= -0.202132 trlgG= -0.257275 logG= -0.052590 TDE= -0.404624 logGD-logG0= -0.002695 tlogG= -0.051896 logG= -0.054591 Density= 0.287627 ETOT(band)= -0.206035 trlgG= -0.261567 logG= -0.054591 TDE= -0.404775 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002725 tlogG= -0.051745 logG= -0.054470 Density= 0.287840 ETOT(band)= -0.205702 trlgG= -0.261570 logG= -0.054470 TDE= -0.405045 logGD-logG0= -0.002836 tlogG= -0.049623 logG= -0.052459 Density= 0.288735 ETOT(band)= -0.203174 trlgG= -0.258541 logG= -0.052459 TDE= -0.404642 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002712 tlogG= -0.051916 logG= -0.054628 Density= 0.287739 ETOT(band)= -0.205925 trlgG= -0.261730 logG= -0.054628 TDE= -0.404977 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002833 tlogG= -0.050011 logG= -0.052844 Density= 0.288992 ETOT(band)= -0.203397 trlgG= -0.258897 logG= -0.052844 TDE= -0.404790 logGD-logG0= -0.002849 tlogG= -0.049342 logG= -0.052191 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.288799 ETOT(band)= -0.202871 trlgG= -0.258061 logG= -0.052191 TDE= -0.404475 logGD-logG0= -0.005754 tlogG= -0.097537 logG= -0.103290 Density= 0.578490 ETOT(band)= -0.404213 trlgG= -0.514110 logG= -0.103290 TDE= -0.808642 logGD-logG0= -0.002817 tlogG= -0.049945 logG= -0.052761 Density= 0.288662 ETOT(band)= -0.203532 trlgG= -0.259088 logG= -0.052761 TDE= -0.404837 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005669 tlogG= -0.099821 logG= -0.105489 logGD-logG0= -0.006018 tlogG= -0.093394 logG= -0.099412 Density= 0.586672 ETOT(band)= -0.395772 trlgG= -0.502770 logG= -0.099412 TDE= -0.806807 Density= 0.577720 ETOT(band)= -0.406703 trlgG= -0.517518 logG= -0.105489 TDE= -0.809321 22) Finished k-point 45 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005572 tlogG= -0.101353 logG= -0.106925 Density= 0.576682 ETOT(band)= -0.408760 trlgG= -0.520354 logG= -0.106925 TDE= -0.810008 logGD-logG0= -0.005643 tlogG= -0.100341 logG= -0.105984 Density= 0.577303 ETOT(band)= -0.407445 trlgG= -0.518595 logG= -0.105984 TDE= -0.809617 logGD-logG0= -0.006405 tlogG= -0.090461 logG= -0.096866 Density= 0.597893 ETOT(band)= -0.386291 trlgG= -0.490839 logG= -0.096866 TDE= -0.805139 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005636 tlogG= -0.100141 logG= -0.105777 Density= 0.577230 ETOT(band)= -0.407339 trlgG= -0.518502 logG= -0.105777 TDE= -0.809681 logGD-logG0= -0.006115 tlogG= -0.092416 logG= -0.098531 Density= 0.588851 ETOT(band)= -0.393687 trlgG= -0.499794 logG= -0.098531 TDE= -0.806210 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005805 tlogG= -0.097718 logG= -0.103524 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 Density= 0.582615 ETOT(band)= -0.402053 trlgG= -0.511487 logG= -0.103524 TDE= -0.808623 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002743 tlogG= -0.051412 logG= -0.054154 Density= 0.288009 ETOT(band)= -0.205286 trlgG= -0.261174 logG= -0.054154 TDE= -0.405081 logGD-logG0= -0.005499 tlogG= -0.102726 logG= -0.108225 Density= 0.576083 ETOT(band)= -0.410438 trlgG= -0.522269 logG= -0.108225 TDE= -0.810211 logGD-logG0= -0.002778 tlogG= -0.050914 logG= -0.053692 Density= 0.288228 ETOT(band)= -0.204622 trlgG= -0.260478 logG= -0.053692 TDE= -0.404997 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005593 tlogG= -0.101196 logG= -0.106789 logGD-logG0= -0.002891 tlogG= -0.048558 logG= -0.051449 Density= 0.576674 ETOT(band)= -0.408513 trlgG= -0.519961 logG= -0.106789 TDE= -0.809746 Density= 0.289776 ETOT(band)= -0.201615 trlgG= -0.256450 logG= -0.051449 TDE= -0.404277 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002774 tlogG= -0.050987 logG= -0.053761 Density= 0.288226 ETOT(band)= -0.204753 trlgG= -0.260640 logG= -0.053761 TDE= -0.405090 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005574 tlogG= -0.101587 logG= -0.107161 Density= 0.576567 ETOT(band)= -0.408973 trlgG= -0.520614 logG= -0.107161 TDE= -0.809953 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002728 tlogG= -0.051590 logG= -0.054318 Density= 0.287892 ETOT(band)= -0.205547 trlgG= -0.261364 logG= -0.054318 TDE= -0.405027 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005787 tlogG= -0.096848 logG= -0.102635 Density= 0.579027 ETOT(band)= -0.403268 trlgG= -0.512676 logG= -0.102635 TDE= -0.808232 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002706 tlogG= -0.051813 logG= -0.054519 Density= 0.287718 ETOT(band)= -0.205886 trlgG= -0.261524 logG= -0.054519 TDE= -0.404866 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000111 tlogG= -0.002154 logG= -0.002265 Density= 0.083830 ETOT(band)= -0.060111 trlgG= -0.076207 logG= -0.002265 TDE= -0.016855 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.001335 tlogG= -0.025884 logG= -0.027219 Density= 0.239550 ETOT(band)= -0.171744 trlgG= -0.217763 logG= -0.027219 TDE= -0.202277 logGD-logG0= -0.000686 tlogG= -0.012939 logG= -0.013625 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.359937 ETOT(band)= -0.256738 trlgG= -0.326798 logG= -0.013625 TDE= -0.101265 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000951 tlogG= -0.016397 logG= -0.017348 Density= 0.168282 ETOT(band)= -0.119010 trlgG= -0.151422 logG= -0.017348 TDE= -0.134860 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000684 tlogG= -0.012962 logG= -0.013646 Density= 0.359886 ETOT(band)= -0.256937 trlgG= -0.327008 logG= -0.013646 TDE= -0.101274 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002727 tlogG= -0.051859 logG= -0.054587 Density= 0.575723 ETOT(band)= -0.411381 trlgG= -0.523363 logG= -0.054587 TDE= -0.405094 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002746 tlogG= -0.051626 logG= -0.054373 Density= 0.575996 ETOT(band)= -0.410595 trlgG= -0.522630 logG= -0.054373 TDE= -0.405092 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002741 tlogG= -0.051352 logG= -0.054093 Density= 0.384089 ETOT(band)= -0.273502 trlgG= -0.347953 logG= -0.054093 TDE= -0.405058 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002742 tlogG= -0.051612 logG= -0.054354 Density= 0.863952 ETOT(band)= -0.616109 trlgG= -0.784055 logG= -0.054354 TDE= -0.405121 logGD-logG0= -0.003805 tlogG= -0.041893 logG= -0.045698 Density= 0.430651 ETOT(band)= -0.233196 trlgG= -0.298988 logG= -0.045698 TDE= -0.400852 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002694 tlogG= -0.051807 logG= -0.054501 Density= 0.383552 ETOT(band)= -0.274564 trlgG= -0.348522 logG= -0.054501 TDE= -0.404697 logGD-logG0= -0.000669 tlogG= -0.012957 logG= -0.013626 Density= 0.359398 ETOT(band)= -0.257609 trlgG= -0.326715 logG= -0.013626 TDE= -0.101146 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 57) Finished k-point 116 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001413 tlogG= -0.025105 logG= -0.026518 Density= 0.433442 ETOT(band)= -0.305212 trlgG= -0.388504 logG= -0.026518 TDE= -0.202426 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000677 tlogG= -0.012993 logG= -0.013670 Density= 0.359664 ETOT(band)= -0.257425 trlgG= -0.327176 logG= -0.013670 TDE= -0.101239 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003302 tlogG= -0.044407 logG= -0.047709 Density= 0.403702 ETOT(band)= -0.253697 trlgG= -0.321734 logG= -0.047709 TDE= -0.402215 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002684 tlogG= -0.051829 logG= -0.054513 Density= 0.431359 ETOT(band)= -0.309061 trlgG= -0.392064 logG= -0.054513 TDE= -0.404594 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000673 tlogG= -0.012981 logG= -0.013653 Density= 0.359526 ETOT(band)= -0.257556 trlgG= -0.326965 logG= -0.013653 TDE= -0.101188 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002942 tlogG= -0.047498 logG= -0.050439 Density= 0.388697 ETOT(band)= -0.265842 trlgG= -0.337880 logG= -0.050439 TDE= -0.403835 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.001384 tlogG= -0.025566 logG= -0.026950 Density= 0.432310 ETOT(band)= -0.307214 trlgG= -0.391061 logG= -0.026950 TDE= -0.202556 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002743 tlogG= -0.051480 logG= -0.054223 Density= 0.864074 ETOT(band)= -0.615799 trlgG= -0.783559 logG= -0.054223 TDE= -0.405116 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002814 tlogG= -0.050362 logG= -0.053177 Density= 0.865883 ETOT(band)= -0.611382 trlgG= -0.778182 logG= -0.053177 TDE= -0.404865 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.003132 tlogG= -0.045468 logG= -0.048600 Density= 0.445095 ETOT(band)= -0.293949 trlgG= -0.373524 logG= -0.048600 TDE= -0.402799 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.005421 tlogG= -0.103519 logG= -0.108939 Density= 0.863382 ETOT(band)= -0.617195 trlgG= -0.784295 logG= -0.108939 TDE= -0.809801 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002814 tlogG= -0.050062 logG= -0.052876 Density= 0.576955 ETOT(band)= -0.408103 trlgG= -0.519516 logG= -0.052876 TDE= -0.404848 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002754 tlogG= -0.051512 logG= -0.054267 Density= 0.576079 ETOT(band)= -0.410245 trlgG= -0.522218 logG= -0.054267 TDE= -0.405041 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003212 tlogG= -0.044899 logG= -0.048111 Density= 0.594308 ETOT(band)= -0.391713 trlgG= -0.497763 logG= -0.048111 TDE= -0.402454 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002762 tlogG= -0.051171 logG= -0.053933 Density= 0.576261 ETOT(band)= -0.409959 trlgG= -0.521828 logG= -0.053933 TDE= -0.405083 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002717 tlogG= -0.051849 logG= -0.054565 Density= 0.575618 ETOT(band)= -0.411539 trlgG= -0.523231 logG= -0.054565 TDE= -0.404997 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002949 tlogG= -0.047335 logG= -0.050285 logGD-logG0= -0.003282 tlogG= -0.044825 logG= -0.048106 Density= 0.628229 ETOT(band)= -0.364414 trlgG= -0.466863 logG= -0.048106 TDE= -0.402397 Density= 0.582695 ETOT(band)= -0.401106 trlgG= -0.509978 logG= -0.050285 TDE= -0.403653 logGD-logG0= -0.002781 tlogG= -0.050957 logG= -0.053738 Density= 0.864795 ETOT(band)= -0.613640 trlgG= -0.781156 logG= -0.053738 TDE= -0.405016 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001544 tlogG= -0.024269 logG= -0.025813 Density= 0.461234 ETOT(band)= -0.284827 trlgG= -0.365995 logG= -0.025813 TDE= -0.202035 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003050 tlogG= -0.047105 logG= -0.050155 Density= 0.588796 ETOT(band)= -0.394276 trlgG= -0.500572 logG= -0.050155 TDE= -0.403509 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.006824 tlogG= -0.087528 logG= -0.094352 Density= 0.923609 ETOT(band)= -0.558750 trlgG= -0.710150 logG= -0.094352 TDE= -0.803653 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.003135 tlogG= -0.047500 logG= -0.050635 Density= 0.616076 ETOT(band)= -0.376530 trlgG= -0.483195 logG= -0.050635 TDE= -0.403632 logGD-logG0= -0.002969 tlogG= -0.048891 logG= -0.051860 Density= 0.585798 ETOT(band)= -0.399823 trlgG= -0.508413 logG= -0.051860 TDE= -0.404245 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.006057 tlogG= -0.097009 logG= -0.103065 Density= 1.176788 ETOT(band)= -0.794932 trlgG= -1.010930 logG= -0.103065 TDE= -0.808034 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005827 tlogG= -0.098347 logG= -0.104174 Density= 1.168788 ETOT(band)= -0.802080 trlgG= -1.020211 logG= -0.104174 TDE= -0.808720 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002790 tlogG= -0.050769 logG= -0.053559 Density= 0.864954 ETOT(band)= -0.612953 trlgG= -0.780186 logG= -0.053559 TDE= -0.404914 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.001362 tlogG= -0.025838 logG= -0.027200 Density= 0.431815 ETOT(band)= -0.308376 trlgG= -0.392096 logG= -0.027200 TDE= -0.202507 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002927 tlogG= -0.047750 logG= -0.050676 Density= 0.580865 ETOT(band)= -0.402801 trlgG= -0.512338 logG= -0.050676 TDE= -0.403903 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005527 tlogG= -0.102071 logG= -0.107598 Density= 0.864786 ETOT(band)= -0.613886 trlgG= -0.781367 logG= -0.107598 TDE= -0.810154 logGD-logG0= -0.005539 tlogG= -0.102303 logG= -0.107842 Density= 0.864522 ETOT(band)= -0.614119 trlgG= -0.781714 logG= -0.107842 TDE= -0.809975 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005631 tlogG= -0.100197 logG= -0.105828 Density= 0.865811 ETOT(band)= -0.610300 trlgG= -0.776534 logG= -0.105828 TDE= -0.809451 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005698 tlogG= -0.098645 logG= -0.104343 Density= 0.867275 ETOT(band)= -0.607297 trlgG= -0.772693 logG= -0.104343 TDE= -0.809198 logGD-logG0= -0.005684 tlogG= -0.099225 logG= -0.104909 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 1.156222 ETOT(band)= -0.810398 trlgG= -1.030969 logG= -0.104909 TDE= -0.809251 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005610 tlogG= -0.100659 logG= -0.106269 Density= 0.865640 ETOT(band)= -0.611119 trlgG= -0.777794 logG= -0.106269 TDE= -0.809717 logGD-logG0= -0.002699 tlogG= -0.051862 logG= -0.054561 Density= 0.575381 ETOT(band)= -0.411863 trlgG= -0.523060 logG= -0.054561 TDE= -0.404799 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002790 tlogG= -0.050573 logG= -0.053362 Density= 0.577059 ETOT(band)= -0.407801 trlgG= -0.519126 logG= -0.053362 TDE= -0.405004 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002827 tlogG= -0.050112 logG= -0.052939 Density= 0.866504 ETOT(band)= -0.610277 trlgG= -0.776586 logG= -0.052939 TDE= -0.404723 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005540 tlogG= -0.102167 logG= -0.107707 Density= 1.153041 ETOT(band)= -0.818453 trlgG= -1.041873 logG= -0.107707 TDE= -0.810169 38) Finished k-point 78 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005754 tlogG= -0.098997 logG= -0.104751 Density= 1.164381 ETOT(band)= -0.805752 trlgG= -1.025255 logG= -0.104751 TDE= -0.809092 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005459 tlogG= -0.103319 logG= -0.108778 Density= 0.863778 ETOT(band)= -0.616474 trlgG= -0.784117 logG= -0.108778 TDE= -0.810117 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002855 tlogG= -0.049434 logG= -0.052289 Density= 0.579051 ETOT(band)= -0.404321 trlgG= -0.514406 logG= -0.052289 TDE= -0.404599 logGD-logG0= -0.005977 tlogG= -0.094934 logG= -0.100911 Density= 1.174756 ETOT(band)= -0.791383 trlgG= -1.005129 logG= -0.100911 TDE= -0.807346 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.006233 tlogG= -0.093256 logG= -0.099489 Density= 1.188793 ETOT(band)= -0.779466 trlgG= -0.990415 logG= -0.099489 TDE= -0.806443 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005599 tlogG= -0.101135 logG= -0.106733 Density= 1.154078 ETOT(band)= -0.815812 trlgG= -1.038505 logG= -0.106733 TDE= -0.809963 logGD-logG0= -0.005523 tlogG= -0.102597 logG= -0.108121 Density= 0.864394 ETOT(band)= -0.614712 trlgG= -0.782498 logG= -0.108121 TDE= -0.810124 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005893 tlogG= -0.095770 logG= -0.101663 Density= 1.170692 ETOT(band)= -0.795251 trlgG= -1.010665 logG= -0.101663 TDE= -0.807856 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005713 tlogG= -0.098644 logG= -0.104357 Density= 1.157211 ETOT(band)= -0.808646 trlgG= -1.028339 logG= -0.104357 TDE= -0.808917 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Sum of eigenvalues= -385.438664845375 eV TrLogG= -490.207964988482 eV Ratio to renormalize= 1.000512029529 rho-rho_expected=-0.020982467052 nargs= 1 argi=dmft2.def 9) Finished k-point number 19 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 59) Finished k-point number 119 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 59) Finished k-point number 120 2 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 25) Finished k-point number 52 2 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 49) Finished k-point number 99 1 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 51) Finished k-point number 104 2 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 17) Finished k-point number 35 1 with #bands= 19 4) Finished k-point number 9 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 4) Finished k-point number 10 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 45) Finished k-point number 91 1 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 13) Finished k-point number 27 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 7) Finished k-point number 16 2 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 14) Finished k-point number 29 1 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 1) Finished k-point number 3 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 3) Finished k-point number 8 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 23) Finished k-point number 47 1 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 23) Finished k-point number 48 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 37) Finished k-point number 76 2 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 36) Finished k-point number 73 1 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 36) Finished k-point number 74 2 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 18) Finished k-point number 37 1 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.862290270757937 0.869520602486150 0.847400271286410 58) Finished k-point number 117 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 59) Finished k-point number 119 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 50) Finished k-point number 101 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 39) Finished k-point number 79 1 with #bands= 19 37) Finished k-point number 75 1 with #bands= 19 4) Finished k-point number 9 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 18) Finished k-point number 37 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 19) Finished k-point number 39 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 1) Finished k-point number 3 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 7) Finished k-point number 15 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 58) Finished k-point number 118 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 30) Finished k-point number 62 2 with #bands= 19 32) Finished k-point number 66 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 17) Finished k-point number 36 2 with #bands= 19 31) Finished k-point number 64 2 with #bands= 19 39) Finished k-point number 80 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 44) Finished k-point number 90 2 with #bands= 19 7) Finished k-point number 16 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 9) Finished k-point number 20 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 33) Finished k-point number 68 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 36) Finished k-point number 74 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 9.35651453325393 Density= 40.9907896832356 41.0000000000000 EF 9.62862836536751 Density= 41.4052612090864 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.70769119 0.68769120 0.405261 -0.921032E-02 1 0.69769120 0.68769074 0.237586 -0.921032E-02 2 0.69269097 0.68769097 0.121387 -0.921032E-02 3 0.69019097 0.68769085 0.395201E-01 -0.921032E-02 4 0.68894091 0.68769091 0.105298E-01 -0.921031E-02 5 0.68831591 0.68769112 0.302780E-03 -0.921031E-02 6 0.68829667 0.68769112 0.752208E-05 -0.921031E-02 7 0.68829618 0.68829667 -0.483233E-09 0.752208E-05 8 0.68829618 0.68829618 0.105122E-08 -0.483233E-09 9 0.68829618 0.68829618 0.105122E-08 -0.483233E-09 Absolute convergence of the X interval. Difference in EF= 0.0082312467 EF set to : 9.3647457799 new EF (no-mixing): 9.3647457799 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.000891 tlogG= -0.017281 logG= -0.018172 Density= 0.095826 ETOT(band)= -0.068677 trlgG= -0.087106 logG= -0.018172 TDE= -0.134890 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000681 tlogG= -0.013002 logG= -0.013683 Density= 0.071951 ETOT(band)= -0.051448 trlgG= -0.065461 logG= -0.013683 TDE= -0.101302 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002732 tlogG= -0.051827 logG= -0.054559 Density= 0.287884 ETOT(band)= -0.205582 trlgG= -0.261633 logG= -0.054559 TDE= -0.405224 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001327 tlogG= -0.013768 logG= -0.015095 Density= 0.111377 ETOT(band)= -0.055626 trlgG= -0.071994 logG= -0.015095 TDE= -0.133559 logGD-logG0= -0.000920 tlogG= -0.017016 logG= -0.017936 Density= 0.096069 ETOT(band)= -0.068242 trlgG= -0.086873 logG= -0.017936 TDE= -0.135060 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000902 tlogG= -0.017264 logG= -0.018166 Density= 0.095912 ETOT(band)= -0.068586 trlgG= -0.087132 logG= -0.018166 TDE= -0.134983 logGD-logG0= -0.000667 tlogG= -0.012949 logG= -0.013616 Density= 0.071855 ETOT(band)= -0.051510 trlgG= -0.065322 logG= -0.013616 TDE= -0.101164 logGD-logG0= -0.002755 tlogG= -0.051494 logG= -0.054250 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.288037 ETOT(band)= -0.205139 trlgG= -0.261200 logG= -0.054250 TDE= -0.405205 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 25 logGD-logG0= -0.001176 tlogG= -0.014424 logG= -0.015600 Density= 0.101336 ETOT(band)= -0.062941 trlgG= -0.079745 logG= -0.015600 TDE= -0.133894 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002793 tlogG= -0.050801 logG= -0.053594 Density= 0.288361 ETOT(band)= -0.204378 trlgG= -0.260262 logG= -0.053594 TDE= -0.405146 37) Finished k-point 75 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.001006 tlogG= -0.015488 logG= -0.016494 Density= 0.098044 ETOT(band)= -0.065688 trlgG= -0.083488 logG= -0.016494 TDE= -0.134477 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002740 tlogG= -0.051802 logG= -0.054542 Density= 0.287919 ETOT(band)= -0.205472 trlgG= -0.261586 logG= -0.054542 TDE= -0.405218 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003657 tlogG= -0.042567 logG= -0.046223 Density= 0.313223 ETOT(band)= -0.181982 trlgG= -0.231900 logG= -0.046223 TDE= -0.401266 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.001345 tlogG= -0.025947 logG= -0.027292 Density= 0.143804 ETOT(band)= -0.102979 trlgG= -0.130708 logG= -0.027292 TDE= -0.202395 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001479 tlogG= -0.024597 logG= -0.026076 logGD-logG0= -0.002728 tlogG= -0.051650 logG= -0.054378 Density= 0.287893 ETOT(band)= -0.205492 trlgG= -0.261369 logG= -0.054378 TDE= -0.405147 Density= 0.146327 ETOT(band)= -0.100264 trlgG= -0.127588 logG= -0.026076 TDE= -0.202228 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003521 tlogG= -0.043326 logG= -0.046847 Density= 0.317871 ETOT(band)= -0.179316 trlgG= -0.229784 logG= -0.046847 TDE= -0.401726 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003017 tlogG= -0.048823 logG= -0.051840 Density= 0.293786 ETOT(band)= -0.199493 trlgG= -0.253870 logG= -0.051840 TDE= -0.404242 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003124 tlogG= -0.045848 logG= -0.048973 Density= 0.295240 ETOT(band)= -0.195986 trlgG= -0.248791 logG= -0.048973 TDE= -0.403031 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002722 tlogG= -0.051657 logG= -0.054379 Density= 0.287868 ETOT(band)= -0.205523 trlgG= -0.261336 logG= -0.054379 TDE= -0.405096 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002680 tlogG= -0.051890 logG= -0.054570 Density= 0.287526 ETOT(band)= -0.206027 trlgG= -0.261371 logG= -0.054570 TDE= -0.404704 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003099 tlogG= -0.048334 logG= -0.051434 Density= 0.307520 ETOT(band)= -0.189724 trlgG= -0.243852 logG= -0.051434 TDE= -0.404083 logGD-logG0= -0.002868 tlogG= -0.049783 logG= -0.052651 Density= 0.290743 ETOT(band)= -0.202076 trlgG= -0.257279 logG= -0.052651 TDE= -0.404746 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006123 tlogG= -0.095660 logG= -0.101782 Density= 0.588763 ETOT(band)= -0.396474 trlgG= -0.504224 logG= -0.101782 TDE= -0.807684 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002904 tlogG= -0.049468 logG= -0.052372 Density= 0.291908 ETOT(band)= -0.201143 trlgG= -0.256019 logG= -0.052372 TDE= -0.404567 logGD-logG0= -0.002706 tlogG= -0.051872 logG= -0.054578 Density= 0.287719 ETOT(band)= -0.205831 trlgG= -0.261528 logG= -0.054578 TDE= -0.404986 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005883 tlogG= -0.097122 logG= -0.103005 logGD-logG0= -0.002836 tlogG= -0.049684 logG= -0.052520 logGD-logG0= -0.005753 tlogG= -0.097659 logG= -0.103412 Density= 0.578495 ETOT(band)= -0.404102 trlgG= -0.514123 logG= -0.103412 TDE= -0.808887 logGD-logG0= -0.002891 tlogG= -0.048484 logG= -0.051375 Density= 0.288737 ETOT(band)= -0.203119 trlgG= -0.258548 logG= -0.052520 TDE= -0.404764 Density= 0.289416 ETOT(band)= -0.201642 trlgG= -0.256549 logG= -0.051375 TDE= -0.404378 Density= 0.584750 ETOT(band)= -0.400120 trlgG= -0.508969 logG= -0.103005 TDE= -0.808445 logGD-logG0= -0.003194 tlogG= -0.046365 logG= -0.049559 logGD-logG0= -0.006018 tlogG= -0.093517 logG= -0.099535 Density= 0.308289 ETOT(band)= -0.187518 trlgG= -0.240588 logG= -0.049559 TDE= -0.403223 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.586688 ETOT(band)= -0.395653 trlgG= -0.502773 logG= -0.099535 TDE= -0.807053 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 22) Finished k-point 45 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002787 tlogG= -0.050795 logG= -0.053582 Density= 0.288273 ETOT(band)= -0.204354 trlgG= -0.260186 logG= -0.053582 TDE= -0.405021 logGD-logG0= -0.002695 tlogG= -0.051955 logG= -0.054650 Density= 0.287629 ETOT(band)= -0.205979 trlgG= -0.261570 logG= -0.054650 TDE= -0.404894 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005492 tlogG= -0.103114 logG= -0.108606 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.576002 ETOT(band)= -0.410541 trlgG= -0.522613 logG= -0.108606 TDE= -0.810467 logGD-logG0= -0.002725 tlogG= -0.051805 logG= -0.054530 Density= 0.287842 ETOT(band)= -0.205646 trlgG= -0.261574 logG= -0.054530 TDE= -0.405165 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002816 tlogG= -0.050005 logG= -0.052821 Density= 0.288664 ETOT(band)= -0.203477 trlgG= -0.259093 logG= -0.052821 TDE= -0.404958 logGD-logG0= -0.002712 tlogG= -0.051975 logG= -0.054687 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002848 tlogG= -0.049403 logG= -0.052252 Density= 0.288801 ETOT(band)= -0.202817 trlgG= -0.258068 logG= -0.052252 TDE= -0.404597 Density= 0.287740 ETOT(band)= -0.205870 trlgG= -0.261734 logG= -0.054687 TDE= -0.405097 logGD-logG0= -0.005668 tlogG= -0.099943 logG= -0.105611 Density= 0.577725 ETOT(band)= -0.406593 trlgG= -0.517531 logG= -0.105611 TDE= -0.809566 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005572 tlogG= -0.101474 logG= -0.107045 logGD-logG0= -0.005592 tlogG= -0.101318 logG= -0.106910 Density= 0.576678 ETOT(band)= -0.408404 trlgG= -0.519975 logG= -0.106910 TDE= -0.809990 Density= 0.576685 ETOT(band)= -0.408651 trlgG= -0.520365 logG= -0.107045 TDE= -0.810250 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002763 tlogG= -0.051358 logG= -0.054121 Density= 0.288079 ETOT(band)= -0.204956 trlgG= -0.260974 logG= -0.054121 TDE= -0.405137 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.006115 tlogG= -0.092540 logG= -0.098655 Density= 0.588866 ETOT(band)= -0.393567 trlgG= -0.499797 logG= -0.098655 TDE= -0.806457 logGD-logG0= -0.005787 tlogG= -0.096971 logG= -0.102758 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 Density= 0.579035 ETOT(band)= -0.403157 trlgG= -0.512688 logG= -0.102758 TDE= -0.808478 logGD-logG0= -0.006404 tlogG= -0.090586 logG= -0.096990 Density= 0.597744 ETOT(band)= -0.386279 trlgG= -0.490952 logG= -0.096990 TDE= -0.805387 logGD-logG0= -0.002833 tlogG= -0.050072 logG= -0.052905 Density= 0.288995 ETOT(band)= -0.203341 trlgG= -0.258902 logG= -0.052905 TDE= -0.404912 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002778 tlogG= -0.050975 logG= -0.053753 Density= 0.288229 ETOT(band)= -0.204567 trlgG= -0.260484 logG= -0.053753 TDE= -0.405118 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002891 tlogG= -0.048619 logG= -0.051510 Density= 0.289780 ETOT(band)= -0.201558 trlgG= -0.256455 logG= -0.051510 TDE= -0.404400 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002748 tlogG= -0.051697 logG= -0.054444 Density= 0.287959 ETOT(band)= -0.205311 trlgG= -0.261414 logG= -0.054444 TDE= -0.405171 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002764 tlogG= -0.051287 logG= -0.054050 Density= 0.288127 ETOT(band)= -0.204955 trlgG= -0.260966 logG= -0.054050 TDE= -0.405232 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002999 tlogG= -0.048250 logG= -0.051249 Density= 0.293048 ETOT(band)= -0.199454 trlgG= -0.253636 logG= -0.051249 TDE= -0.404091 20) Finished k-point 41 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002786 tlogG= -0.050601 logG= -0.053387 Density= 0.288410 ETOT(band)= -0.204180 trlgG= -0.259991 logG= -0.053387 TDE= -0.405115 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005635 tlogG= -0.100263 logG= -0.105898 Density= 0.577234 ETOT(band)= -0.407229 trlgG= -0.518514 logG= -0.105898 TDE= -0.809924 logGD-logG0= -0.005642 tlogG= -0.100463 logG= -0.106105 Density= 0.577307 ETOT(band)= -0.407336 trlgG= -0.518608 logG= -0.106105 TDE= -0.809861 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005573 tlogG= -0.101709 logG= -0.107282 Density= 0.576571 ETOT(band)= -0.408864 trlgG= -0.520626 logG= -0.107282 TDE= -0.810196 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002742 tlogG= -0.051472 logG= -0.054214 Density= 0.288011 ETOT(band)= -0.205231 trlgG= -0.261178 logG= -0.054214 TDE= -0.405201 logGD-logG0= -0.005805 tlogG= -0.097841 logG= -0.103646 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.582624 ETOT(band)= -0.401940 trlgG= -0.511496 logG= -0.103646 TDE= -0.808868 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002774 tlogG= -0.051047 logG= -0.053821 Density= 0.288228 ETOT(band)= -0.204698 trlgG= -0.260645 logG= -0.053821 TDE= -0.405210 logGD-logG0= -0.005498 tlogG= -0.102846 logG= -0.108344 Density= 0.576086 ETOT(band)= -0.410328 trlgG= -0.522279 logG= -0.108344 TDE= -0.810452 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000111 tlogG= -0.002157 logG= -0.002268 Density= 0.083830 ETOT(band)= -0.060095 trlgG= -0.076208 logG= -0.002268 TDE= -0.016860 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.001335 tlogG= -0.025913 logG= -0.027248 Density= 0.239551 ETOT(band)= -0.171698 trlgG= -0.217764 logG= -0.027248 TDE= -0.202335 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000951 tlogG= -0.016418 logG= -0.017368 Density= 0.168283 ETOT(band)= -0.118978 trlgG= -0.151425 logG= -0.017368 TDE= -0.134901 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002727 tlogG= -0.051919 logG= -0.054646 Density= 0.575726 ETOT(band)= -0.411272 trlgG= -0.523373 logG= -0.054646 TDE= -0.405214 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000684 tlogG= -0.012977 logG= -0.013661 Density= 0.359888 ETOT(band)= -0.256869 trlgG= -0.327015 logG= -0.013661 TDE= -0.101304 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002746 tlogG= -0.051687 logG= -0.054433 Density= 0.576000 ETOT(band)= -0.410486 trlgG= -0.522642 logG= -0.054433 TDE= -0.405213 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002740 tlogG= -0.051412 logG= -0.054153 Density= 0.384091 ETOT(band)= -0.273428 trlgG= -0.347959 logG= -0.054153 TDE= -0.405178 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002694 tlogG= -0.051866 logG= -0.054560 Density= 0.383554 ETOT(band)= -0.274490 trlgG= -0.348527 logG= -0.054560 TDE= -0.404816 logGD-logG0= -0.003806 tlogG= -0.041955 logG= -0.045761 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.430657 ETOT(band)= -0.233097 trlgG= -0.298972 logG= -0.045761 TDE= -0.400976 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.001413 tlogG= -0.025136 logG= -0.026549 Density= 0.433446 ETOT(band)= -0.305130 trlgG= -0.388513 logG= -0.026549 TDE= -0.202487 logGD-logG0= -0.003302 tlogG= -0.044469 logG= -0.047772 Density= 0.403710 ETOT(band)= -0.253613 trlgG= -0.321732 logG= -0.047772 TDE= -0.402339 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002684 tlogG= -0.051888 logG= -0.054572 Density= 0.431361 ETOT(band)= -0.308978 trlgG= -0.392068 logG= -0.054572 TDE= -0.404712 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002741 tlogG= -0.051672 logG= -0.054414 Density= 0.863956 ETOT(band)= -0.615945 trlgG= -0.784070 logG= -0.054414 TDE= -0.405242 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000669 tlogG= -0.012972 logG= -0.013641 Density= 0.359400 ETOT(band)= -0.257540 trlgG= -0.326717 logG= -0.013641 TDE= -0.101175 57) Finished k-point 116 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005420 tlogG= -0.103638 logG= -0.109058 Density= 0.863387 ETOT(band)= -0.617029 trlgG= -0.784307 logG= -0.109058 TDE= -0.810040 logGD-logG0= -0.001362 tlogG= -0.025867 logG= -0.027229 Density= 0.431817 ETOT(band)= -0.308293 trlgG= -0.392103 logG= -0.027229 TDE= -0.202567 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002941 tlogG= -0.047559 logG= -0.050500 Density= 0.388709 ETOT(band)= -0.265762 trlgG= -0.337882 logG= -0.050500 TDE= -0.403957 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000686 tlogG= -0.012954 logG= -0.013640 Density= 0.359939 ETOT(band)= -0.256670 trlgG= -0.326806 logG= -0.013640 TDE= -0.101295 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000673 tlogG= -0.012995 logG= -0.013668 Density= 0.359528 ETOT(band)= -0.257487 trlgG= -0.326968 logG= -0.013668 TDE= -0.101218 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002789 tlogG= -0.050830 logG= -0.053620 Density= 0.864960 ETOT(band)= -0.612790 trlgG= -0.780207 logG= -0.053620 TDE= -0.405035 logGD-logG0= -0.003132 tlogG= -0.045530 logG= -0.048662 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 Density= 0.445112 ETOT(band)= -0.293854 trlgG= -0.373520 logG= -0.048662 TDE= -0.402923 logGD-logG0= -0.002814 tlogG= -0.050123 logG= -0.052936 Density= 0.576959 ETOT(band)= -0.407994 trlgG= -0.519528 logG= -0.052936 TDE= -0.404970 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000677 tlogG= -0.013008 logG= -0.013684 logGD-logG0= -0.003212 tlogG= -0.044962 logG= -0.048174 Density= 0.594277 ETOT(band)= -0.391623 trlgG= -0.497796 logG= -0.048174 TDE= -0.402578 Density= 0.359666 ETOT(band)= -0.257356 trlgG= -0.327181 logG= -0.013684 TDE= -0.101269 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.001544 tlogG= -0.024300 logG= -0.025844 Density= 0.461236 ETOT(band)= -0.284729 trlgG= -0.365989 logG= -0.025844 TDE= -0.202096 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002716 tlogG= -0.051909 logG= -0.054625 Density= 0.575621 ETOT(band)= -0.411429 trlgG= -0.523239 logG= -0.054625 TDE= -0.405117 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003050 tlogG= -0.047167 logG= -0.050217 Density= 0.588806 ETOT(band)= -0.394159 trlgG= -0.500579 logG= -0.050217 TDE= -0.403632 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003281 tlogG= -0.044886 logG= -0.048168 Density= 0.628247 ETOT(band)= -0.364270 trlgG= -0.466841 logG= -0.048168 TDE= -0.402520 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002699 tlogG= -0.051922 logG= -0.054620 Density= 0.575384 ETOT(band)= -0.411752 trlgG= -0.523067 logG= -0.054620 TDE= -0.404918 logGD-logG0= -0.006824 tlogG= -0.087654 logG= -0.094477 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.923335 ETOT(band)= -0.558754 trlgG= -0.710341 logG= -0.094477 TDE= -0.803901 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002949 tlogG= -0.047397 logG= -0.050346 Density= 0.582705 ETOT(band)= -0.400991 trlgG= -0.509987 logG= -0.050346 TDE= -0.403777 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.006056 tlogG= -0.097133 logG= -0.103189 Density= 1.176602 ETOT(band)= -0.794839 trlgG= -1.011085 logG= -0.103189 TDE= -0.808280 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005826 tlogG= -0.098471 logG= -0.104297 Density= 1.168800 ETOT(band)= -0.801855 trlgG= -1.020233 logG= -0.104297 TDE= -0.808966 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002814 tlogG= -0.050423 logG= -0.053237 Density= 0.865890 ETOT(band)= -0.611218 trlgG= -0.778201 logG= -0.053237 TDE= -0.404986 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002827 tlogG= -0.050173 logG= -0.053000 Density= 0.866512 ETOT(band)= -0.610113 trlgG= -0.776605 logG= -0.053000 TDE= -0.404845 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005631 tlogG= -0.100319 logG= -0.105950 Density= 0.865817 ETOT(band)= -0.610137 trlgG= -0.776555 logG= -0.105950 TDE= -0.809695 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002926 tlogG= -0.047811 logG= -0.050738 Density= 0.580873 ETOT(band)= -0.402688 trlgG= -0.512348 logG= -0.050738 TDE= -0.404026 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005538 tlogG= -0.102425 logG= -0.107963 Density= 0.864527 ETOT(band)= -0.613956 trlgG= -0.781734 logG= -0.107963 TDE= -0.810218 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002789 tlogG= -0.050633 logG= -0.053422 Density= 0.577062 ETOT(band)= -0.407691 trlgG= -0.519137 logG= -0.053422 TDE= -0.405125 logGD-logG0= -0.005539 tlogG= -0.102288 logG= -0.107827 logGD-logG0= -0.002754 tlogG= -0.051573 logG= -0.054327 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.576082 ETOT(band)= -0.410137 trlgG= -0.522231 logG= -0.054327 TDE= -0.405162 Density= 1.153048 ETOT(band)= -0.818234 trlgG= -1.041896 logG= -0.107827 TDE= -0.810411 38) Finished k-point 78 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001384 tlogG= -0.025596 logG= -0.026980 Density= 0.432313 ETOT(band)= -0.307131 trlgG= -0.391069 logG= -0.026980 TDE= -0.202617 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002780 tlogG= -0.051018 logG= -0.053798 Density= 0.864800 ETOT(band)= -0.613476 trlgG= -0.781174 logG= -0.053798 TDE= -0.405137 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002855 tlogG= -0.049495 logG= -0.052349 Density= 0.579058 ETOT(band)= -0.404209 trlgG= -0.514417 logG= -0.052349 TDE= -0.404721 logGD-logG0= -0.005977 tlogG= -0.095057 logG= -0.101034 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 1.174778 ETOT(band)= -0.791150 trlgG= -1.005143 logG= -0.101034 TDE= -0.807592 logGD-logG0= -0.005712 tlogG= -0.098767 logG= -0.104480 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005523 tlogG= -0.102719 logG= -0.108241 Density= 0.864399 ETOT(band)= -0.614548 trlgG= -0.782516 logG= -0.108241 TDE= -0.810366 Density= 1.157224 ETOT(band)= -0.808425 trlgG= -1.028364 logG= -0.104480 TDE= -0.809162 logGD-logG0= -0.005683 tlogG= -0.099347 logG= -0.105031 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 1.156232 ETOT(band)= -0.810178 trlgG= -1.030994 logG= -0.105031 TDE= -0.809495 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005697 tlogG= -0.098766 logG= -0.104464 Density= 0.867282 ETOT(band)= -0.607133 trlgG= -0.772711 logG= -0.104464 TDE= -0.809442 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.006232 tlogG= -0.093381 logG= -0.099613 Density= 1.188515 ETOT(band)= -0.779432 trlgG= -0.990630 logG= -0.099613 TDE= -0.806690 logGD-logG0= -0.002743 tlogG= -0.051540 logG= -0.054283 Density= 0.864079 ETOT(band)= -0.615634 trlgG= -0.783574 logG= -0.054283 TDE= -0.405236 logGD-logG0= -0.003135 tlogG= -0.047561 logG= -0.050696 Density= 0.616080 ETOT(band)= -0.376398 trlgG= -0.483187 logG= -0.050696 TDE= -0.403754 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005610 tlogG= -0.100781 logG= -0.106390 Density= 0.865646 ETOT(band)= -0.610955 trlgG= -0.777814 logG= -0.106390 TDE= -0.809960 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002762 tlogG= -0.051231 logG= -0.053993 Density= 0.576264 ETOT(band)= -0.409850 trlgG= -0.521839 logG= -0.053993 TDE= -0.405204 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002968 tlogG= -0.048953 logG= -0.051922 logGD-logG0= -0.005892 tlogG= -0.095894 logG= -0.101786 Density= 0.585801 ETOT(band)= -0.399710 trlgG= -0.508424 logG= -0.051922 TDE= -0.404368 Density= 1.170717 ETOT(band)= -0.795016 trlgG= -1.010676 logG= -0.101786 TDE= -0.808102 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005526 tlogG= -0.102191 logG= -0.107717 Density= 0.864791 ETOT(band)= -0.613721 trlgG= -0.781382 logG= -0.107717 TDE= -0.810395 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005598 tlogG= -0.101256 logG= -0.106854 Density= 1.154085 ETOT(band)= -0.815592 trlgG= -1.038528 logG= -0.106854 TDE= -0.810205 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005458 tlogG= -0.103438 logG= -0.108897 Density= 0.863783 ETOT(band)= -0.616308 trlgG= -0.784131 logG= -0.108897 TDE= -0.810358 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005753 tlogG= -0.099120 logG= -0.104873 Density= 1.164396 ETOT(band)= -0.805525 trlgG= -1.025273 logG= -0.104873 TDE= -0.809337 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Sum of eigenvalues= -385.337924228147 eV TrLogG= -490.219410423061 eV Ratio to renormalize= 1.000522354202 rho-rho_expected=-0.021405341111 nargs= 1 argi=dmft2.def 50) Finished k-point number 101 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 47) Finished k-point number 95 1 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 7) Finished k-point number 16 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 17) Finished k-point number 36 2 with #bands= 19 18) Finished k-point number 37 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 33) Finished k-point number 68 2 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 53) Finished k-point number 107 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 55) Finished k-point number 112 2 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 31) Finished k-point number 63 1 with #bands= 19 21) Finished k-point number 44 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 3) Finished k-point number 8 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 59) Finished k-point number 120 2 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 2) Finished k-point number 5 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 31) Finished k-point number 64 2 with #bands= 19 44) Finished k-point number 89 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 36) Finished k-point number 73 1 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 29) Finished k-point number 60 2 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 36) Finished k-point number 74 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 57) Finished k-point number 115 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 57) Finished k-point number 116 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 19) Finished k-point number 40 2 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.862523375465732 0.869738792961676 0.847664325482648 58) Finished k-point number 117 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 18) Finished k-point number 37 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 39) Finished k-point number 79 1 with #bands= 19 16) Finished k-point number 33 1 with #bands= 19 37) Finished k-point number 75 1 with #bands= 19 3) Finished k-point number 7 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 17) Finished k-point number 35 1 with #bands= 19 40) Finished k-point number 81 1 with #bands= 19 9) Finished k-point number 19 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 2) Finished k-point number 5 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 18) Finished k-point number 38 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 0) Finished k-point number 2 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 3) Finished k-point number 8 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 19) Finished k-point number 40 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 20) Finished k-point number 42 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 9) Finished k-point number 20 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 55) Finished k-point number 112 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 34) Finished k-point number 70 2 with #bands= 19 15) Finished k-point number 32 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 23) Finished k-point number 48 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 49) Finished k-point number 100 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 9.36474577993491 Density= 41.0229441967254 41.0000000000000 EF 9.09263194782133 Density= 40.7089501304447 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.68829618 0.66829618 0.229442E-01 -0.291050 1 0.68683474 0.68829618 -0.400390E-02 0.229442E-01 2 0.68705188 0.68829618 -0.670434E-03 0.229442E-01 3 0.68709431 0.68829618 -0.174775E-04 0.229442E-01 4 0.68709544 0.68829618 -0.904463E-07 0.229442E-01 5 0.68709544 0.68829618 -0.125979E-10 0.229442E-01 Absolute convergence of |F(X)|. Difference in EF= -0.0163368439 EF set to : 9.3484089361 new EF (no-mixing): 9.3484089361 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.002748 tlogG= -0.051566 logG= -0.054314 Density= 0.287956 ETOT(band)= -0.205415 trlgG= -0.261389 logG= -0.054314 TDE= -0.404928 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002741 tlogG= -0.051672 logG= -0.054413 Density= 0.287916 ETOT(band)= -0.205577 trlgG= -0.261563 logG= -0.054413 TDE= -0.404975 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000902 tlogG= -0.017221 logG= -0.018123 Density= 0.095912 ETOT(band)= -0.068621 trlgG= -0.087126 logG= -0.018123 TDE= -0.134903 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001327 tlogG= -0.013725 logG= -0.015051 Density= 0.111373 ETOT(band)= -0.055679 trlgG= -0.072004 logG= -0.015051 TDE= -0.133477 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002733 tlogG= -0.051698 logG= -0.054430 Density= 0.287881 ETOT(band)= -0.205687 trlgG= -0.261611 logG= -0.054430 TDE= -0.404982 logGD-logG0= -0.000892 tlogG= -0.017239 logG= -0.018131 Density= 0.095826 ETOT(band)= -0.068713 trlgG= -0.087101 logG= -0.018131 TDE= -0.134812 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002793 tlogG= -0.050671 logG= -0.053465 Density= 0.288357 ETOT(band)= -0.204484 trlgG= -0.260238 logG= -0.053465 TDE= -0.404903 logGD-logG0= -0.001176 tlogG= -0.014379 logG= -0.015555 Density= 0.101333 ETOT(band)= -0.062981 trlgG= -0.079740 logG= -0.015555 TDE= -0.133811 logGD-logG0= -0.000667 tlogG= -0.012917 logG= -0.013584 Density= 0.071855 ETOT(band)= -0.051537 trlgG= -0.065319 logG= -0.013584 TDE= -0.101105 37) Finished k-point 75 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 25 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000920 tlogG= -0.016973 logG= -0.017894 Density= 0.096068 ETOT(band)= -0.068278 trlgG= -0.086865 logG= -0.017894 TDE= -0.134980 logGD-logG0= -0.005494 tlogG= -0.102856 logG= -0.108349 Density= 0.575996 ETOT(band)= -0.410753 trlgG= -0.522568 logG= -0.108349 TDE= -0.809983 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002681 tlogG= -0.051764 logG= -0.054444 Density= 0.287523 ETOT(band)= -0.206135 trlgG= -0.261356 logG= -0.054444 TDE= -0.404467 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003656 tlogG= -0.042433 logG= -0.046089 Density= 0.313593 ETOT(band)= -0.181853 trlgG= -0.231637 logG= -0.046089 TDE= -0.401017 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.003520 tlogG= -0.043193 logG= -0.046714 logGD-logG0= -0.003018 tlogG= -0.048690 logG= -0.051708 Density= 0.293883 ETOT(band)= -0.199532 trlgG= -0.253777 logG= -0.051708 TDE= -0.403995 Density= 0.317858 ETOT(band)= -0.179458 trlgG= -0.229793 logG= -0.046714 TDE= -0.401478 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002905 tlogG= -0.049335 logG= -0.052240 Density= 0.291902 ETOT(band)= -0.201251 trlgG= -0.255996 logG= -0.052240 TDE= -0.404320 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003100 tlogG= -0.048203 logG= -0.051303 Density= 0.307516 ETOT(band)= -0.189852 trlgG= -0.243848 logG= -0.051303 TDE= -0.403838 logGD-logG0= -0.003194 tlogG= -0.046234 logG= -0.049428 Density= 0.308284 ETOT(band)= -0.187647 trlgG= -0.240584 logG= -0.049428 TDE= -0.402977 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001346 tlogG= -0.025884 logG= -0.027229 Density= 0.143803 ETOT(band)= -0.103033 trlgG= -0.130699 logG= -0.027229 TDE= -0.202276 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002695 tlogG= -0.051828 logG= -0.054523 Density= 0.287626 ETOT(band)= -0.206087 trlgG= -0.261552 logG= -0.054523 TDE= -0.404655 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002707 tlogG= -0.051744 logG= -0.054451 Density= 0.287717 ETOT(band)= -0.205938 trlgG= -0.261508 logG= -0.054451 TDE= -0.404746 logGD-logG0= -0.003000 tlogG= -0.048117 logG= -0.051117 Density= 0.293043 ETOT(band)= -0.199563 trlgG= -0.253612 logG= -0.051117 TDE= -0.403844 logGD-logG0= -0.002728 tlogG= -0.051522 logG= -0.054250 Density= 0.287891 ETOT(band)= -0.205599 trlgG= -0.261348 logG= -0.054250 TDE= -0.404906 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 20) Finished k-point 41 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002869 tlogG= -0.049651 logG= -0.052520 Density= 0.290735 ETOT(band)= -0.202185 trlgG= -0.257258 logG= -0.052520 TDE= -0.404501 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002713 tlogG= -0.051847 logG= -0.054560 Density= 0.287737 ETOT(band)= -0.205976 trlgG= -0.261714 logG= -0.054560 TDE= -0.404857 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005884 tlogG= -0.096857 logG= -0.102741 Density= 0.584736 ETOT(band)= -0.400339 trlgG= -0.508923 logG= -0.102741 TDE= -0.807951 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005500 tlogG= -0.102589 logG= -0.108088 Density= 0.576080 ETOT(band)= -0.410541 trlgG= -0.522235 logG= -0.108088 TDE= -0.809969 logGD-logG0= -0.002743 tlogG= -0.051343 logG= -0.054086 Density= 0.288008 ETOT(band)= -0.205337 trlgG= -0.261157 logG= -0.054086 TDE= -0.404959 logGD-logG0= -0.002788 tlogG= -0.050664 logG= -0.053452 Density= 0.288269 ETOT(band)= -0.204458 trlgG= -0.260160 logG= -0.053452 TDE= -0.404776 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002849 tlogG= -0.049272 logG= -0.052121 Density= 0.288797 ETOT(band)= -0.202922 trlgG= -0.258041 logG= -0.052121 TDE= -0.404352 logGD-logG0= -0.006018 tlogG= -0.093253 logG= -0.099271 Density= 0.586653 ETOT(band)= -0.395886 trlgG= -0.502744 logG= -0.099271 TDE= -0.806559 logGD-logG0= -0.002723 tlogG= -0.051529 logG= -0.054252 Density= 0.287866 ETOT(band)= -0.205630 trlgG= -0.261316 logG= -0.054252 TDE= -0.404855 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000681 tlogG= -0.012970 logG= -0.013651 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002817 tlogG= -0.049875 logG= -0.052692 Density= 0.288660 ETOT(band)= -0.203583 trlgG= -0.259070 logG= -0.052692 TDE= -0.404714 22) Finished k-point 45 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 Density= 0.071950 ETOT(band)= -0.051475 trlgG= -0.065456 logG= -0.013651 TDE= -0.101242 logGD-logG0= -0.002892 tlogG= -0.048488 logG= -0.051379 Density= 0.289772 ETOT(band)= -0.201667 trlgG= -0.256432 logG= -0.051379 TDE= -0.404154 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005670 tlogG= -0.099680 logG= -0.105350 Density= 0.577714 ETOT(band)= -0.406805 trlgG= -0.517480 logG= -0.105350 TDE= -0.809075 logGD-logG0= -0.006124 tlogG= -0.095393 logG= -0.101517 Density= 0.588997 ETOT(band)= -0.396525 trlgG= -0.504008 logG= -0.101517 TDE= -0.807189 logGD-logG0= -0.005788 tlogG= -0.096707 logG= -0.102495 Density= 0.579019 ETOT(band)= -0.403372 trlgG= -0.512638 logG= -0.102495 TDE= -0.807984 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005594 tlogG= -0.101056 logG= -0.106650 Density= 0.576671 ETOT(band)= -0.408613 trlgG= -0.519922 logG= -0.106650 TDE= -0.809500 logGD-logG0= -0.006115 tlogG= -0.092274 logG= -0.098389 Density= 0.588832 ETOT(band)= -0.393800 trlgG= -0.499766 logG= -0.098389 TDE= -0.805960 logGD-logG0= -0.002725 tlogG= -0.051677 logG= -0.054402 Density= 0.287839 ETOT(band)= -0.205753 trlgG= -0.261554 logG= -0.054402 TDE= -0.404924 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.006405 tlogG= -0.090319 logG= -0.096724 Density= 0.598088 ETOT(band)= -0.386262 trlgG= -0.490669 logG= -0.096724 TDE= -0.804888 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002764 tlogG= -0.051157 logG= -0.053921 Density= 0.288124 ETOT(band)= -0.205061 trlgG= -0.260942 logG= -0.053921 TDE= -0.404989 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.001006 tlogG= -0.015444 logG= -0.016450 Density= 0.098031 ETOT(band)= -0.065731 trlgG= -0.083488 logG= -0.016450 TDE= -0.134394 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005636 tlogG= -0.100002 logG= -0.105639 Density= 0.577227 ETOT(band)= -0.407441 trlgG= -0.518465 logG= -0.105639 TDE= -0.809436 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005573 tlogG= -0.101214 logG= -0.106788 Density= 0.576679 ETOT(band)= -0.408862 trlgG= -0.520318 logG= -0.106788 TDE= -0.809764 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002787 tlogG= -0.050472 logG= -0.053259 Density= 0.288407 ETOT(band)= -0.204286 trlgG= -0.259968 logG= -0.053259 TDE= -0.404872 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002892 tlogG= -0.048353 logG= -0.051244 Density= 0.289411 ETOT(band)= -0.201749 trlgG= -0.256524 logG= -0.051244 TDE= -0.404133 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002774 tlogG= -0.050918 logG= -0.053692 Density= 0.288225 ETOT(band)= -0.204804 trlgG= -0.260622 logG= -0.053692 TDE= -0.404968 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002834 tlogG= -0.049941 logG= -0.052775 Density= 0.288989 ETOT(band)= -0.203448 trlgG= -0.258879 logG= -0.052775 TDE= -0.404667 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003125 tlogG= -0.045715 logG= -0.048840 Density= 0.295223 ETOT(band)= -0.196103 trlgG= -0.248776 logG= -0.048840 TDE= -0.402783 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.005755 tlogG= -0.097396 logG= -0.103151 Density= 0.578484 ETOT(band)= -0.404315 trlgG= -0.514072 logG= -0.103151 TDE= -0.808395 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002764 tlogG= -0.051227 logG= -0.053991 Density= 0.288076 ETOT(band)= -0.205060 trlgG= -0.260948 logG= -0.053991 TDE= -0.404893 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002756 tlogG= -0.051364 logG= -0.054120 Density= 0.288034 ETOT(band)= -0.205244 trlgG= -0.261176 logG= -0.054120 TDE= -0.404962 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.001479 tlogG= -0.024531 logG= -0.026010 Density= 0.146325 ETOT(band)= -0.100318 trlgG= -0.127576 logG= -0.026010 TDE= -0.202105 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002779 tlogG= -0.050844 logG= -0.053623 Density= 0.288226 ETOT(band)= -0.204672 trlgG= -0.260459 logG= -0.053623 TDE= -0.404874 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005806 tlogG= -0.097578 logG= -0.103384 Density= 0.582604 ETOT(band)= -0.402161 trlgG= -0.511455 logG= -0.103384 TDE= -0.808376 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005574 tlogG= -0.101448 logG= -0.107023 Density= 0.576564 ETOT(band)= -0.409075 trlgG= -0.520576 logG= -0.107023 TDE= -0.809708 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005644 tlogG= -0.100201 logG= -0.105845 Density= 0.577298 ETOT(band)= -0.407547 trlgG= -0.518557 logG= -0.105845 TDE= -0.809371 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002837 tlogG= -0.049553 logG= -0.052390 Density= 0.288733 ETOT(band)= -0.203225 trlgG= -0.258522 logG= -0.052390 TDE= -0.404519 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000111 tlogG= -0.002151 logG= -0.002263 Density= 0.083829 ETOT(band)= -0.060126 trlgG= -0.076204 logG= -0.002263 TDE= -0.016850 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.000686 tlogG= -0.012921 logG= -0.013607 Density= 0.359936 ETOT(band)= -0.256800 trlgG= -0.326774 logG= -0.013607 TDE= -0.101235 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002695 tlogG= -0.051739 logG= -0.054434 Density= 0.383550 ETOT(band)= -0.274633 trlgG= -0.348502 logG= -0.054434 TDE= -0.404578 logGD-logG0= -0.002728 tlogG= -0.051790 logG= -0.054518 Density= 0.575720 ETOT(band)= -0.411483 trlgG= -0.523329 logG= -0.054518 TDE= -0.404973 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001336 tlogG= -0.025850 logG= -0.027186 Density= 0.239549 ETOT(band)= -0.171788 trlgG= -0.217752 logG= -0.027186 TDE= -0.202218 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000684 tlogG= -0.012945 logG= -0.013629 logGD-logG0= -0.000669 tlogG= -0.012940 logG= -0.013609 Density= 0.359396 ETOT(band)= -0.257674 trlgG= -0.326698 logG= -0.013609 TDE= -0.101117 Density= 0.359885 ETOT(band)= -0.257000 trlgG= -0.326985 logG= -0.013629 TDE= -0.101243 57) Finished k-point 116 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002742 tlogG= -0.051543 logG= -0.054285 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 Density= 0.863947 ETOT(band)= -0.616262 trlgG= -0.784003 logG= -0.054285 TDE= -0.405000 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000673 tlogG= -0.012964 logG= -0.013637 Density= 0.359525 ETOT(band)= -0.257621 trlgG= -0.326946 logG= -0.013637 TDE= -0.101158 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003805 tlogG= -0.041822 logG= -0.045626 Density= 0.430643 ETOT(band)= -0.233290 trlgG= -0.298988 logG= -0.045626 TDE= -0.400727 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002744 tlogG= -0.051412 logG= -0.054155 Density= 0.864070 ETOT(band)= -0.615953 trlgG= -0.783508 logG= -0.054155 TDE= -0.404995 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002741 tlogG= -0.051284 logG= -0.054025 Density= 0.384087 ETOT(band)= -0.273570 trlgG= -0.347930 logG= -0.054025 TDE= -0.404937 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003302 tlogG= -0.044336 logG= -0.047637 Density= 0.403690 ETOT(band)= -0.253777 trlgG= -0.321719 logG= -0.047637 TDE= -0.402090 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000677 tlogG= -0.012976 logG= -0.013653 Density= 0.359662 ETOT(band)= -0.257489 trlgG= -0.327156 logG= -0.013653 TDE= -0.101209 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002684 tlogG= -0.051762 logG= -0.054446 Density= 0.431357 ETOT(band)= -0.309139 trlgG= -0.392043 logG= -0.054446 TDE= -0.404475 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002814 tlogG= -0.049993 logG= -0.052807 Density= 0.576952 ETOT(band)= -0.408205 trlgG= -0.519479 logG= -0.052807 TDE= -0.404726 logGD-logG0= -0.000951 tlogG= -0.016374 logG= -0.017325 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.168281 ETOT(band)= -0.119040 trlgG= -0.151412 logG= -0.017325 TDE= -0.134819 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003211 tlogG= -0.044828 logG= -0.048040 Density= 0.594351 ETOT(band)= -0.391787 trlgG= -0.497695 logG= -0.048040 TDE= -0.402329 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002699 tlogG= -0.051794 logG= -0.054494 Density= 0.575379 ETOT(band)= -0.411966 trlgG= -0.523030 logG= -0.054494 TDE= -0.404679 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001544 tlogG= -0.024234 logG= -0.025778 logGD-logG0= -0.002790 tlogG= -0.050699 logG= -0.053489 Density= 0.461231 ETOT(band)= -0.284920 trlgG= -0.365983 logG= -0.025778 TDE= -0.201973 Density= 0.864949 ETOT(band)= -0.613104 trlgG= -0.780128 logG= -0.053489 TDE= -0.404791 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001362 tlogG= -0.025803 logG= -0.027166 Density= 0.431813 ETOT(band)= -0.308453 trlgG= -0.392072 logG= -0.027166 TDE= -0.202447 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002950 tlogG= -0.047265 logG= -0.050214 Density= 0.582683 ETOT(band)= -0.401213 trlgG= -0.509945 logG= -0.050214 TDE= -0.403529 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003282 tlogG= -0.044754 logG= -0.048036 Density= 0.628207 ETOT(band)= -0.364554 trlgG= -0.466863 logG= -0.048036 TDE= -0.402273 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005421 tlogG= -0.103382 logG= -0.108804 Density= 0.863379 ETOT(band)= -0.617350 trlgG= -0.784248 logG= -0.108804 TDE= -0.809561 logGD-logG0= -0.003136 tlogG= -0.047430 logG= -0.050566 Density= 0.616071 ETOT(band)= -0.376654 trlgG= -0.483179 logG= -0.050566 TDE= -0.403508 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002969 tlogG= -0.048820 logG= -0.051790 Density= 0.585793 ETOT(band)= -0.399927 trlgG= -0.508376 logG= -0.051790 TDE= -0.404121 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002927 tlogG= -0.047680 logG= -0.050607 Density= 0.580854 ETOT(band)= -0.402907 trlgG= -0.512304 logG= -0.050607 TDE= -0.403780 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005828 tlogG= -0.098206 logG= -0.104034 Density= 1.168773 ETOT(band)= -0.802291 trlgG= -1.020140 logG= -0.104034 TDE= -0.808473 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006823 tlogG= -0.087385 logG= -0.094208 Density= 0.923959 ETOT(band)= -0.558679 trlgG= -0.709867 logG= -0.094208 TDE= -0.803401 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002717 tlogG= -0.051780 logG= -0.054497 Density= 0.575615 ETOT(band)= -0.411642 trlgG= -0.523198 logG= -0.054497 TDE= -0.404877 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005540 tlogG= -0.102164 logG= -0.107703 Density= 0.864517 ETOT(band)= -0.614270 trlgG= -0.781656 logG= -0.107703 TDE= -0.809730 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005632 tlogG= -0.100057 logG= -0.105689 Density= 0.865805 ETOT(band)= -0.610451 trlgG= -0.776475 logG= -0.105689 TDE= -0.809205 logGD-logG0= -0.005460 tlogG= -0.103182 logG= -0.108641 Density= 0.863774 ETOT(band)= -0.616628 trlgG= -0.784068 logG= -0.108641 TDE= -0.809876 logGD-logG0= -0.002790 tlogG= -0.050504 logG= -0.053294 Density= 0.577055 ETOT(band)= -0.407903 trlgG= -0.519090 logG= -0.053294 TDE= -0.404882 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002855 tlogG= -0.049364 logG= -0.052219 Density= 0.579043 ETOT(band)= -0.404425 trlgG= -0.514371 logG= -0.052219 TDE= -0.404476 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002827 tlogG= -0.050042 logG= -0.052869 Density= 0.866495 ETOT(band)= -0.610430 trlgG= -0.776528 logG= -0.052869 TDE= -0.404600 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001384 tlogG= -0.025531 logG= -0.026915 Density= 0.432308 ETOT(band)= -0.307290 trlgG= -0.391034 logG= -0.026915 TDE= -0.202496 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.006057 tlogG= -0.096867 logG= -0.102924 Density= 1.177038 ETOT(band)= -0.794963 trlgG= -1.010677 logG= -0.102924 TDE= -0.807785 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005893 tlogG= -0.095630 logG= -0.101523 Density= 1.170659 ETOT(band)= -0.795474 trlgG= -1.010608 logG= -0.101523 TDE= -0.807609 logGD-logG0= -0.005714 tlogG= -0.098504 logG= -0.104217 Density= 1.157195 ETOT(band)= -0.808852 trlgG= -1.028263 logG= -0.104217 TDE= -0.808670 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005978 tlogG= -0.094792 logG= -0.100770 Density= 1.174728 ETOT(band)= -0.791603 trlgG= -1.005066 logG= -0.100770 TDE= -0.807097 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002763 tlogG= -0.051102 logG= -0.053865 Density= 0.576258 ETOT(band)= -0.410061 trlgG= -0.521793 logG= -0.053865 TDE= -0.404961 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001413 tlogG= -0.025070 logG= -0.026484 Density= 0.433438 ETOT(band)= -0.305290 trlgG= -0.388477 logG= -0.026484 TDE= -0.202365 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002942 tlogG= -0.047428 logG= -0.050370 Density= 0.388683 ETOT(band)= -0.265917 trlgG= -0.337863 logG= -0.050370 TDE= -0.403711 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.006233 tlogG= -0.093114 logG= -0.099347 Density= 1.189162 ETOT(band)= -0.779421 trlgG= -0.990085 logG= -0.099347 TDE= -0.806193 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005541 tlogG= -0.102029 logG= -0.107569 Density= 1.153034 ETOT(band)= -0.818657 trlgG= -1.041801 logG= -0.107569 TDE= -0.809925 38) Finished k-point 78 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005600 tlogG= -0.100996 logG= -0.106595 Density= 1.154070 ETOT(band)= -0.816015 trlgG= -1.038432 logG= -0.106595 TDE= -0.809718 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005527 tlogG= -0.101933 logG= -0.107461 Density= 0.864781 ETOT(band)= -0.614039 trlgG= -0.781315 logG= -0.107461 TDE= -0.809911 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005699 tlogG= -0.098505 logG= -0.104204 Density= 0.867268 ETOT(band)= -0.607451 trlgG= -0.772637 logG= -0.104204 TDE= -0.808952 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002746 tlogG= -0.051557 logG= -0.054303 Density= 0.575993 ETOT(band)= -0.410696 trlgG= -0.522593 logG= -0.054303 TDE= -0.404970 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.005685 tlogG= -0.099085 logG= -0.104770 Density= 1.156211 ETOT(band)= -0.810602 trlgG= -1.030893 logG= -0.104770 TDE= -0.809004 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002755 tlogG= -0.051443 logG= -0.054197 Density= 0.576076 ETOT(band)= -0.410346 trlgG= -0.522180 logG= -0.054197 TDE= -0.404918 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003050 tlogG= -0.047034 logG= -0.050084 Density= 0.588784 ETOT(band)= -0.394386 trlgG= -0.500541 logG= -0.050084 TDE= -0.403384 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003132 tlogG= -0.045397 logG= -0.048529 Density= 0.445072 ETOT(band)= -0.294041 trlgG= -0.373512 logG= -0.048529 TDE= -0.402675 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.005611 tlogG= -0.100520 logG= -0.106131 Density= 0.865635 ETOT(band)= -0.611271 trlgG= -0.777737 logG= -0.106131 TDE= -0.809472 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002781 tlogG= -0.050887 logG= -0.053668 Density= 0.864789 ETOT(band)= -0.613791 trlgG= -0.781099 logG= -0.053668 TDE= -0.404893 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002815 tlogG= -0.050292 logG= -0.053107 Density= 0.865876 ETOT(band)= -0.611535 trlgG= -0.778126 logG= -0.053107 TDE= -0.404742 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.005524 tlogG= -0.102458 logG= -0.107983 Density= 0.864389 ETOT(band)= -0.614863 trlgG= -0.782442 logG= -0.107983 TDE= -0.809880 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005754 tlogG= -0.098857 logG= -0.104611 Density= 1.164359 ETOT(band)= -0.805966 trlgG= -1.025190 logG= -0.104611 TDE= -0.808845 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Sum of eigenvalues= -385.530019122931 eV TrLogG= -490.172477161657 eV Ratio to renormalize= 1.000497033537 rho-rho_expected=-0.020368251327 nargs= 1 argi=dmft2.def 10) Finished k-point number 21 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 15) Finished k-point number 31 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 38) Finished k-point number 77 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 15) Finished k-point number 32 2 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 7) Finished k-point number 16 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 34) Finished k-point number 69 1 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 18) Finished k-point number 37 1 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 39) Finished k-point number 80 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 31) Finished k-point number 63 1 with #bands= 19 54) Finished k-point number 109 1 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 58) Finished k-point number 117 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 57) Finished k-point number 115 1 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 17) Finished k-point number 35 1 with #bands= 19 54) Finished k-point number 110 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 46) Finished k-point number 93 1 with #bands= 19 45) Finished k-point number 91 1 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 17) Finished k-point number 36 2 with #bands= 19 57) Finished k-point number 116 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 26) Finished k-point number 54 2 with #bands= 19 4) Finished k-point number 10 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 24) Finished k-point number 49 1 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 35) Finished k-point number 71 1 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.864141827359211 0.871264747812951 0.849496932353404 0) Finished k-point number 1 1 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 42) Finished k-point number 85 1 with #bands= 19 32) Finished k-point number 65 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 19 37) Finished k-point number 75 1 with #bands= 19 21) Finished k-point number 43 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 13) Finished k-point number 27 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 40) Finished k-point number 81 1 with #bands= 19 19) Finished k-point number 39 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 15) Finished k-point number 31 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 20) Finished k-point number 41 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 44) Finished k-point number 89 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 58) Finished k-point number 118 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 49) Finished k-point number 100 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 4) Finished k-point number 10 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 41) Finished k-point number 84 2 with #bands= 19 10) Finished k-point number 22 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 40) Finished k-point number 82 2 with #bands= 19 13) Finished k-point number 28 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 15) Finished k-point number 32 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 11) Finished k-point number 24 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 24) Finished k-point number 50 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 36) Finished k-point number 74 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 9.34840893608274 Density= 41.2358960248604 41.0000000000000 EF 9.07629510396915 Density= 40.8670851439502 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.68709544 0.66709545 0.235896 -0.132915 1 0.67709545 0.68709543 -0.725208E-02 0.235896 2 0.67739370 0.68709543 -0.136482E-02 0.235896 3 0.67746245 0.67739370 0.733166E-04 -0.136482E-02 4 0.67745894 0.67746245 -0.511584E-05 0.733166E-04 5 0.67745917 0.67746245 -0.105484E-08 0.733166E-04 6 0.67745917 0.67745917 0.118264E-08 -0.105484E-08 7 0.67745917 0.67745917 0.118264E-08 -0.105484E-08 Absolute convergence of the X interval. Difference in EF too large to mix -0.131108160807292 cutoff= 2.9999999E-02 Difference in EF= -0.1311081608 EF set to : 9.2173007753 new EF (no-mixing): 9.2173007753 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.000922 tlogG= -0.016587 logG= -0.017509 Density= 0.096057 ETOT(band)= -0.068494 trlgG= -0.086693 logG= -0.017509 TDE= -0.134258 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001325 tlogG= -0.013315 logG= -0.014640 Density= 0.111351 ETOT(band)= -0.056020 trlgG= -0.071937 logG= -0.014640 TDE= -0.132732 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000682 tlogG= -0.012681 logG= -0.013363 Density= 0.071941 ETOT(band)= -0.051637 trlgG= -0.065328 logG= -0.013363 TDE= -0.100702 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002771 tlogG= -0.049994 logG= -0.052765 Density= 0.288084 ETOT(band)= -0.205711 trlgG= -0.260421 logG= -0.052765 TDE= -0.402821 logGD-logG0= -0.000894 tlogG= -0.016858 logG= -0.017752 Density= 0.095815 ETOT(band)= -0.068933 trlgG= -0.086954 logG= -0.017752 TDE= -0.134113 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000904 tlogG= -0.016839 logG= -0.017742 Density= 0.095901 ETOT(band)= -0.068840 trlgG= -0.086960 logG= -0.017742 TDE= -0.134187 logGD-logG0= -0.000669 tlogG= -0.012632 logG= -0.013301 Density= 0.071847 ETOT(band)= -0.051703 trlgG= -0.065209 logG= -0.013301 TDE= -0.100582 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 25 logGD-logG0= -0.005509 tlogG= -0.100272 logG= -0.105781 Density= 0.576008 ETOT(band)= -0.411848 trlgG= -0.521205 logG= -0.105781 TDE= -0.805646 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002739 tlogG= -0.050539 logG= -0.053278 Density= 0.287846 ETOT(band)= -0.206338 trlgG= -0.261095 logG= -0.053278 TDE= -0.402821 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002762 tlogG= -0.050197 logG= -0.052960 Density= 0.287995 ETOT(band)= -0.205888 trlgG= -0.260644 logG= -0.052960 TDE= -0.402790 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002747 tlogG= -0.050507 logG= -0.053254 logGD-logG0= -0.002770 tlogG= -0.050054 logG= -0.052824 Density= 0.288036 ETOT(band)= -0.205700 trlgG= -0.260406 logG= -0.052824 TDE= -0.402714 Density= 0.287879 ETOT(band)= -0.206222 trlgG= -0.261034 logG= -0.053254 TDE= -0.402806 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003650 tlogG= -0.041203 logG= -0.044854 Density= 0.315374 ETOT(band)= -0.181426 trlgG= -0.229979 logG= -0.044854 TDE= -0.398779 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002800 tlogG= -0.049504 logG= -0.052303 Density= 0.288313 ETOT(band)= -0.205135 trlgG= -0.259712 logG= -0.052303 TDE= -0.402729 logGD-logG0= -0.001483 tlogG= -0.023935 logG= -0.025418 Density= 0.146305 ETOT(band)= -0.100651 trlgG= -0.127307 logG= -0.025418 TDE= -0.201005 logGD-logG0= -0.003516 tlogG= -0.041974 logG= -0.045490 Density= 0.317758 ETOT(band)= -0.180350 trlgG= -0.229471 logG= -0.045490 TDE= -0.399250 37) Finished k-point 75 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002734 tlogG= -0.050369 logG= -0.053103 Density= 0.287857 ETOT(band)= -0.206253 trlgG= -0.260843 logG= -0.053103 TDE= -0.402751 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001007 tlogG= -0.015046 logG= -0.016052 Density= 0.097918 ETOT(band)= -0.066010 trlgG= -0.083375 logG= -0.016052 TDE= -0.133659 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003127 tlogG= -0.044507 logG= -0.047634 Density= 0.295059 ETOT(band)= -0.196840 trlgG= -0.248309 logG= -0.047634 TDE= -0.400565 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005506 tlogG= -0.100535 logG= -0.106041 Density= 0.575923 ETOT(band)= -0.412052 trlgG= -0.521530 logG= -0.106041 TDE= -0.805654 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.003025 tlogG= -0.047491 logG= -0.050516 Density= 0.294643 ETOT(band)= -0.199658 trlgG= -0.252696 logG= -0.050516 TDE= -0.401788 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003109 tlogG= -0.047013 logG= -0.050122 Density= 0.307477 ETOT(band)= -0.190663 trlgG= -0.243459 logG= -0.050122 TDE= -0.401640 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003201 tlogG= -0.045035 logG= -0.048235 logGD-logG0= -0.001349 tlogG= -0.025311 logG= -0.026659 Density= 0.143787 ETOT(band)= -0.103362 trlgG= -0.130462 logG= -0.026659 TDE= -0.201212 Density= 0.308230 ETOT(band)= -0.188461 trlgG= -0.240190 logG= -0.048235 TDE= -0.400768 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002728 tlogG= -0.050377 logG= -0.053106 Density= 0.287833 ETOT(band)= -0.206285 trlgG= -0.260812 logG= -0.053106 TDE= -0.402702 logGD-logG0= -0.006138 tlogG= -0.092987 logG= -0.099125 Density= 0.590803 ETOT(band)= -0.396585 trlgG= -0.501645 logG= -0.099125 TDE= -0.802765 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002911 tlogG= -0.048145 logG= -0.051056 Density= 0.291837 ETOT(band)= -0.201923 trlgG= -0.255471 logG= -0.051056 TDE= -0.402122 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002713 tlogG= -0.050595 logG= -0.053308 Density= 0.287684 ETOT(band)= -0.206595 trlgG= -0.261013 logG= -0.053308 TDE= -0.402599 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002687 tlogG= -0.050620 logG= -0.053307 Density= 0.287492 ETOT(band)= -0.206796 trlgG= -0.260904 logG= -0.053307 TDE= -0.402362 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005895 tlogG= -0.094469 logG= -0.100364 Density= 0.584592 ETOT(band)= -0.401689 trlgG= -0.507871 logG= -0.100364 TDE= -0.803545 logGD-logG0= -0.002897 tlogG= -0.047172 logG= -0.050069 logGD-logG0= -0.002731 tlogG= -0.050523 logG= -0.053255 Density= 0.287804 ETOT(band)= -0.206407 trlgG= -0.261048 logG= -0.053255 TDE= -0.402769 Density= 0.289355 ETOT(band)= -0.202398 trlgG= -0.255984 logG= -0.050069 TDE= -0.401942 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002855 tlogG= -0.048087 logG= -0.050942 Density= 0.288747 ETOT(band)= -0.203563 trlgG= -0.257486 logG= -0.050942 TDE= -0.402157 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002793 tlogG= -0.049308 logG= -0.052101 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.288371 ETOT(band)= -0.204934 trlgG= -0.259443 logG= -0.052101 TDE= -0.402702 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002794 tlogG= -0.049488 logG= -0.052282 Density= 0.288227 ETOT(band)= -0.205098 trlgG= -0.259612 logG= -0.052282 TDE= -0.402592 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002822 tlogG= -0.048707 logG= -0.051529 Density= 0.288622 ETOT(band)= -0.204230 trlgG= -0.258538 logG= -0.051529 TDE= -0.402538 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002842 tlogG= -0.048375 logG= -0.051218 Density= 0.288687 ETOT(band)= -0.203868 trlgG= -0.257976 logG= -0.051218 TDE= -0.402332 logGD-logG0= -0.002701 tlogG= -0.050681 logG= -0.053382 Density= 0.287594 ETOT(band)= -0.206745 trlgG= -0.261070 logG= -0.053382 TDE= -0.402521 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002719 tlogG= -0.050696 logG= -0.053414 Density= 0.287704 ETOT(band)= -0.206631 trlgG= -0.261215 logG= -0.053414 TDE= -0.402709 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005683 tlogG= -0.097313 logG= -0.102996 Density= 0.577578 ETOT(band)= -0.408113 trlgG= -0.516402 logG= -0.102996 TDE= -0.804691 logGD-logG0= -0.002840 tlogG= -0.048766 logG= -0.051606 Density= 0.288921 ETOT(band)= -0.204111 trlgG= -0.258358 logG= -0.051606 TDE= -0.402484 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.006120 tlogG= -0.089862 logG= -0.095982 Density= 0.588502 ETOT(band)= -0.395261 trlgG= -0.498822 logG= -0.095982 TDE= -0.801526 logGD-logG0= -0.002897 tlogG= -0.047305 logG= -0.050202 Density= 0.289685 ETOT(band)= -0.202338 trlgG= -0.255915 logG= -0.050202 TDE= -0.401962 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.005766 tlogG= -0.095030 logG= -0.100795 Density= 0.578358 ETOT(band)= -0.405619 trlgG= -0.512990 logG= -0.100795 TDE= -0.804009 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.006415 tlogG= -0.087887 logG= -0.094302 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.600306 ETOT(band)= -0.386072 trlgG= -0.488055 logG= -0.094302 TDE= -0.800435 logGD-logG0= -0.005817 tlogG= -0.095205 logG= -0.101022 Density= 0.582398 ETOT(band)= -0.403542 trlgG= -0.510456 logG= -0.101022 TDE= -0.803985 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002755 tlogG= -0.050395 logG= -0.053150 Density= 0.287919 ETOT(band)= -0.206055 trlgG= -0.260849 logG= -0.053150 TDE= -0.402752 logGD-logG0= -0.005657 tlogG= -0.097848 logG= -0.103505 Density= 0.577190 ETOT(band)= -0.408848 trlgG= -0.517485 logG= -0.103505 TDE= -0.805003 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005799 tlogG= -0.094326 logG= -0.100125 Density= 0.578844 ETOT(band)= -0.404696 trlgG= -0.511564 logG= -0.100125 TDE= -0.803582 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005585 tlogG= -0.098882 logG= -0.104467 Density= 0.576600 ETOT(band)= -0.410158 trlgG= -0.519263 logG= -0.104467 TDE= -0.805419 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002749 tlogG= -0.050187 logG= -0.052936 logGD-logG0= -0.003006 tlogG= -0.046921 logG= -0.049927 Density= 0.287973 ETOT(band)= -0.205990 trlgG= -0.260645 logG= -0.052936 TDE= -0.402799 Density= 0.292998 ETOT(band)= -0.200229 trlgG= -0.253072 logG= -0.049927 TDE= -0.401639 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 20) Finished k-point 41 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005607 tlogG= -0.098701 logG= -0.104307 Density= 0.576581 ETOT(band)= -0.409895 trlgG= -0.518827 logG= -0.104307 TDE= -0.805130 logGD-logG0= -0.005648 tlogG= -0.097660 logG= -0.103309 Density= 0.577138 ETOT(band)= -0.408738 trlgG= -0.517399 logG= -0.103309 TDE= -0.805078 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002875 tlogG= -0.048469 logG= -0.051344 Density= 0.290643 ETOT(band)= -0.202870 trlgG= -0.256755 logG= -0.051344 TDE= -0.402310 logGD-logG0= -0.002780 tlogG= -0.049756 logG= -0.052536 Density= 0.288185 ETOT(band)= -0.205456 trlgG= -0.260103 logG= -0.052536 TDE= -0.402800 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006024 tlogG= -0.090857 logG= -0.096882 Density= 0.586321 ETOT(band)= -0.397345 trlgG= -0.501816 logG= -0.096882 TDE= -0.802142 22) Finished k-point 45 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002785 tlogG= -0.049674 logG= -0.052459 Density= 0.288186 ETOT(band)= -0.205317 trlgG= -0.259923 logG= -0.052459 TDE= -0.402698 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001174 tlogG= -0.013969 logG= -0.015144 Density= 0.101316 ETOT(band)= -0.063222 trlgG= -0.079571 logG= -0.015144 TDE= -0.133064 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005587 tlogG= -0.099105 logG= -0.104693 Density= 0.576479 ETOT(band)= -0.410365 trlgG= -0.519503 logG= -0.104693 TDE= -0.805352 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000111 tlogG= -0.002104 logG= -0.002215 Density= 0.083821 ETOT(band)= -0.060319 trlgG= -0.076076 logG= -0.002215 TDE= -0.016763 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.001339 tlogG= -0.025279 logG= -0.026618 Density= 0.239524 ETOT(band)= -0.172339 trlgG= -0.217385 logG= -0.026618 TDE= -0.201170 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002750 tlogG= -0.050255 logG= -0.053005 Density= 0.863962 ETOT(band)= -0.617913 trlgG= -0.781967 logG= -0.053005 TDE= -0.402834 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000953 tlogG= -0.015983 logG= -0.016936 Density= 0.168259 ETOT(band)= -0.119418 trlgG= -0.151104 logG= -0.016936 TDE= -0.134092 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002753 tlogG= -0.050391 logG= -0.053144 logGD-logG0= -0.000686 tlogG= -0.012654 logG= -0.013339 Density= 0.359839 ETOT(band)= -0.257806 trlgG= -0.326325 logG= -0.013339 TDE= -0.100701 Density= 0.575918 ETOT(band)= -0.411985 trlgG= -0.521533 logG= -0.053144 TDE= -0.402800 logGD-logG0= -0.002734 tlogG= -0.050633 logG= -0.053367 Density= 0.575650 ETOT(band)= -0.412784 trlgG= -0.522300 logG= -0.053367 TDE= -0.402813 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003800 tlogG= -0.040588 logG= -0.044388 Density= 0.430559 ETOT(band)= -0.234499 trlgG= -0.298560 logG= -0.044388 TDE= -0.398486 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002701 tlogG= -0.050593 logG= -0.053293 Density= 0.383509 ETOT(band)= -0.275510 trlgG= -0.347849 logG= -0.053293 TDE= -0.402439 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002747 tlogG= -0.050129 logG= -0.052876 Density= 0.384043 ETOT(band)= -0.274440 trlgG= -0.347248 logG= -0.052876 TDE= -0.402778 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000671 tlogG= -0.012654 logG= -0.013325 Density= 0.359358 ETOT(band)= -0.258500 trlgG= -0.326135 logG= -0.013325 TDE= -0.100592 57) Finished k-point 116 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001417 tlogG= -0.024483 logG= -0.025900 Density= 0.433337 ETOT(band)= -0.306283 trlgG= -0.387696 logG= -0.025900 TDE= -0.201274 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002748 tlogG= -0.050384 logG= -0.053132 Density= 0.863837 ETOT(band)= -0.618212 trlgG= -0.782448 logG= -0.053132 TDE= -0.402836 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000674 tlogG= -0.012677 logG= -0.013351 Density= 0.359485 ETOT(band)= -0.258444 trlgG= -0.326344 logG= -0.013351 TDE= -0.100625 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000679 tlogG= -0.012688 logG= -0.013366 Density= 0.359621 ETOT(band)= -0.258308 trlgG= -0.326534 logG= -0.013366 TDE= -0.100673 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000687 tlogG= -0.012629 logG= -0.013316 Density= 0.359889 ETOT(band)= -0.257599 trlgG= -0.326099 logG= -0.013316 TDE= -0.100691 logGD-logG0= -0.001365 tlogG= -0.025227 logG= -0.026592 Density= 0.431763 ETOT(band)= -0.309435 trlgG= -0.391315 logG= -0.026592 TDE= -0.201370 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003131 tlogG= -0.044191 logG= -0.047321 Density= 0.444722 ETOT(band)= -0.295231 trlgG= -0.372921 logG= -0.047321 TDE= -0.400458 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002691 tlogG= -0.050617 logG= -0.053308 Density= 0.431311 ETOT(band)= -0.310128 trlgG= -0.391344 logG= -0.053308 TDE= -0.402360 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002769 tlogG= -0.049939 logG= -0.052708 Density= 0.576181 ETOT(band)= -0.411360 trlgG= -0.520749 logG= -0.052708 TDE= -0.402794 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002822 tlogG= -0.049117 logG= -0.051938 Density= 0.865715 ETOT(band)= -0.613487 trlgG= -0.776519 logG= -0.051938 TDE= -0.402559 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.005433 tlogG= -0.101083 logG= -0.106516 Density= 0.863282 ETOT(band)= -0.619317 trlgG= -0.782747 logG= -0.106516 TDE= -0.805261 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001549 tlogG= -0.023640 logG= -0.025188 Density= 0.461173 ETOT(band)= -0.286136 trlgG= -0.365400 logG= -0.025188 TDE= -0.200875 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003209 tlogG= -0.043612 logG= -0.046822 Density= 0.594904 ETOT(band)= -0.392702 trlgG= -0.496206 logG= -0.046822 TDE= -0.400103 logGD-logG0= -0.002946 tlogG= -0.046239 logG= -0.049186 Density= 0.388448 ETOT(band)= -0.266886 trlgG= -0.337251 logG= -0.049186 TDE= -0.401512 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003285 tlogG= -0.043547 logG= -0.046832 Density= 0.627846 ETOT(band)= -0.366386 trlgG= -0.466287 logG= -0.046832 TDE= -0.400055 logGD-logG0= -0.002705 tlogG= -0.050646 logG= -0.053352 Density= 0.575314 ETOT(band)= -0.413281 trlgG= -0.522047 logG= -0.053352 TDE= -0.402540 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003055 tlogG= -0.045834 logG= -0.048889 Density= 0.588567 ETOT(band)= -0.395790 trlgG= -0.499531 logG= -0.048889 TDE= -0.401174 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002761 tlogG= -0.050271 logG= -0.053032 Density= 0.575998 ETOT(band)= -0.411625 trlgG= -0.521096 logG= -0.053032 TDE= -0.402741 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002723 tlogG= -0.050628 logG= -0.053351 Density= 0.575547 ETOT(band)= -0.412951 trlgG= -0.522189 logG= -0.053351 TDE= -0.402725 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002954 tlogG= -0.046067 logG= -0.049022 Density= 0.582449 ETOT(band)= -0.402597 trlgG= -0.508935 logG= -0.049022 TDE= -0.401321 logGD-logG0= -0.006072 tlogG= -0.094467 logG= -0.100539 Density= 1.180421 ETOT(band)= -0.795235 trlgG= -1.006111 logG= -0.100539 TDE= -0.803369 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002820 tlogG= -0.048823 logG= -0.051643 Density= 0.576867 ETOT(band)= -0.409503 trlgG= -0.518419 logG= -0.051643 TDE= -0.402548 logGD-logG0= -0.006817 tlogG= -0.084935 logG= -0.091752 Density= 0.927437 ETOT(band)= -0.558475 trlgG= -0.706014 logG= -0.091752 TDE= -0.798931 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.003144 tlogG= -0.046236 logG= -0.049380 Density= 0.615973 ETOT(band)= -0.378281 trlgG= -0.482393 logG= -0.049380 TDE= -0.401306 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001387 tlogG= -0.024951 logG= -0.026338 Density= 0.432249 ETOT(band)= -0.308269 trlgG= -0.390256 logG= -0.026338 TDE= -0.201412 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.005840 tlogG= -0.095824 logG= -0.101664 Density= 1.168495 ETOT(band)= -0.804988 trlgG= -1.018038 logG= -0.101664 TDE= -0.804074 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005645 tlogG= -0.097696 logG= -0.103341 Density= 0.865662 ETOT(band)= -0.612373 trlgG= -0.774816 logG= -0.103341 TDE= -0.804827 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002834 tlogG= -0.048859 logG= -0.051693 Density= 0.866293 ETOT(band)= -0.612392 trlgG= -0.774912 logG= -0.051693 TDE= -0.402409 logGD-logG0= -0.005552 tlogG= -0.099816 logG= -0.105368 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.864394 ETOT(band)= -0.616189 trlgG= -0.780020 logG= -0.105368 TDE= -0.805369 logGD-logG0= -0.005539 tlogG= -0.099614 logG= -0.105153 Density= 0.864674 ETOT(band)= -0.615990 trlgG= -0.779755 logG= -0.105153 TDE= -0.805581 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002796 tlogG= -0.049339 logG= -0.052135 Density= 0.576978 ETOT(band)= -0.409200 trlgG= -0.518034 logG= -0.052135 TDE= -0.402711 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005624 tlogG= -0.098172 logG= -0.103795 Density= 0.865503 ETOT(band)= -0.613202 trlgG= -0.776111 logG= -0.103795 TDE= -0.805109 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005697 tlogG= -0.096727 logG= -0.102424 Density= 1.155972 ETOT(band)= -0.813208 trlgG= -1.028734 logG= -0.102424 TDE= -0.804629 logGD-logG0= -0.005767 tlogG= -0.096490 logG= -0.102256 Density= 1.163964 ETOT(band)= -0.808719 trlgG= -1.023186 logG= -0.102256 TDE= -0.804462 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002861 tlogG= -0.048186 logG= -0.051048 Density= 0.578882 ETOT(band)= -0.405761 trlgG= -0.513332 logG= -0.051048 TDE= -0.402290 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002976 tlogG= -0.047628 logG= -0.050604 Density= 0.585706 ETOT(band)= -0.401258 trlgG= -0.507298 logG= -0.050604 TDE= -0.401920 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005986 tlogG= -0.092394 logG= -0.098381 logGD-logG0= -0.002797 tlogG= -0.049522 logG= -0.052319 Density= 0.864815 ETOT(band)= -0.615027 trlgG= -0.778486 logG= -0.052319 TDE= -0.402607 Density= 1.174242 ETOT(band)= -0.794419 trlgG= -1.003067 logG= -0.098381 TDE= -0.802679 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005710 tlogG= -0.096155 logG= -0.101865 Density= 0.867123 ETOT(band)= -0.609394 trlgG= -0.771019 logG= -0.101865 TDE= -0.804584 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.006246 tlogG= -0.090698 logG= -0.096943 Density= 1.193617 ETOT(band)= -0.779007 trlgG= -0.984810 logG= -0.096943 TDE= -0.801757 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005726 tlogG= -0.096132 logG= -0.101858 Density= 1.156873 ETOT(band)= -0.811488 trlgG= -1.026110 logG= -0.101858 TDE= -0.804279 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005553 tlogG= -0.099701 logG= -0.105254 Density= 1.152878 ETOT(band)= -0.821253 trlgG= -1.039700 logG= -0.105254 TDE= -0.805587 38) Finished k-point 78 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003298 tlogG= -0.043118 logG= -0.046416 Density= 0.403533 ETOT(band)= -0.254783 trlgG= -0.321109 logG= -0.046416 TDE= -0.399862 logGD-logG0= -0.005472 tlogG= -0.100873 logG= -0.106345 Density= 0.863671 ETOT(band)= -0.618587 trlgG= -0.782541 logG= -0.106345 TDE= -0.805563 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002932 tlogG= -0.046490 logG= -0.049422 Density= 0.580657 ETOT(band)= -0.404268 trlgG= -0.511284 logG= -0.049422 TDE= -0.401580 logGD-logG0= -0.002787 tlogG= -0.049717 logG= -0.052504 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.864662 ETOT(band)= -0.615727 trlgG= -0.779492 logG= -0.052504 TDE= -0.402717 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.005612 tlogG= -0.098659 logG= -0.104271 Density= 1.153894 ETOT(band)= -0.818613 trlgG= -1.036309 logG= -0.104271 TDE= -0.805367 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005903 tlogG= -0.093248 logG= -0.099150 Density= 1.170103 ETOT(band)= -0.798323 trlgG= -1.008684 logG= -0.099150 TDE= -0.803207 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005537 tlogG= -0.100123 logG= -0.105659 Density= 0.864271 ETOT(band)= -0.616796 trlgG= -0.780841 logG= -0.105659 TDE= -0.805533 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Sum of eigenvalues= -386.706413335403 eV TrLogG= -489.123772168871 eV Ratio to renormalize= 1.000399219953 rho-rho_expected=-0.016361486261 nargs= 1 argi=dmft2.def 13) Finished k-point number 27 1 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 55) Finished k-point number 111 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 26) Finished k-point number 53 1 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 49) Finished k-point number 100 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 28) Finished k-point number 58 2 with #bands= 19 36) Finished k-point number 74 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 27) Finished k-point number 55 1 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 34) Finished k-point number 70 2 with #bands= 19 41) Finished k-point number 83 1 with #bands= 19 38) Finished k-point number 77 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 46) Finished k-point number 93 1 with #bands= 19 30) Finished k-point number 61 1 with #bands= 19 27) Finished k-point number 56 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 19 57) Finished k-point number 116 2 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 38) Finished k-point number 78 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 7) Finished k-point number 15 1 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 6) Finished k-point number 13 1 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 2) Finished k-point number 5 1 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 40) Finished k-point number 81 1 with #bands= 19 43) Finished k-point number 88 2 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 22) Finished k-point number 45 1 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 39) Finished k-point number 79 1 with #bands= 19 29) Finished k-point number 59 1 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 42) Finished k-point number 86 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.864229887673684 0.871356000471683 0.849578362933993 0) Finished k-point number 1 1 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 21) Finished k-point number 43 1 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 24) Finished k-point number 49 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 22) Finished k-point number 45 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 46) Finished k-point number 93 1 with #bands= 19 50) Finished k-point number 101 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 28) Finished k-point number 57 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 7) Finished k-point number 15 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 30) Finished k-point number 61 1 with #bands= 19 6) Finished k-point number 13 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 20) Finished k-point number 41 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 21) Finished k-point number 44 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 28) Finished k-point number 58 2 with #bands= 19 24) Finished k-point number 50 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 7) Finished k-point number 16 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 18) Finished k-point number 38 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 37) Finished k-point number 76 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 19 31) Finished k-point number 64 2 with #bands= 19 50) Finished k-point number 102 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 12) Finished k-point number 26 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 8) Finished k-point number 18 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 19) Finished k-point number 40 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 36) Finished k-point number 74 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 9.21730077527544 Density= 41.0018620187639 41.0000000000000 EF 8.94518694316186 Density= 40.6899782357531 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.67745917 0.65745917 0.186202E-02 -0.310022 1 0.67733977 0.67745917 -0.845345E-03 0.186202E-02 2 0.67737705 0.67745917 -0.431889E-05 0.186202E-02 3 0.67737724 0.67737705 0.101082E-09 -0.431889E-05 4 0.67737724 0.67737724 -0.215999E-08 0.101082E-09 5 0.67737724 0.67737724 -0.215999E-08 0.101082E-09 Absolute convergence of the X interval. Difference in EF= -0.0011147269 EF set to : 9.2161860484 new EF (no-mixing): 9.2161860484 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.000683 tlogG= -0.012643 logG= -0.013326 Density= 0.071938 ETOT(band)= -0.051596 trlgG= -0.065250 logG= -0.013326 TDE= -0.100653 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000904 tlogG= -0.016788 logG= -0.017693 Density= 0.095896 ETOT(band)= -0.068785 trlgG= -0.086856 logG= -0.017693 TDE= -0.134121 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000894 tlogG= -0.016807 logG= -0.017702 Density= 0.095809 ETOT(band)= -0.068879 trlgG= -0.086852 logG= -0.017702 TDE= -0.134049 logGD-logG0= -0.002802 tlogG= -0.049352 logG= -0.052153 Density= 0.288309 ETOT(band)= -0.204962 trlgG= -0.259391 logG= -0.052153 TDE= -0.402532 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002740 tlogG= -0.050388 logG= -0.053128 Density= 0.287834 ETOT(band)= -0.206171 trlgG= -0.260780 logG= -0.053128 TDE= -0.402624 logGD-logG0= -0.000669 tlogG= -0.012594 logG= -0.013263 Density= 0.071842 ETOT(band)= -0.051662 trlgG= -0.065133 logG= -0.013263 TDE= -0.100534 37) Finished k-point 75 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 25 logGD-logG0= -0.001323 tlogG= -0.013259 logG= -0.014582 Density= 0.111282 ETOT(band)= -0.055992 trlgG= -0.071864 logG= -0.014582 TDE= -0.132662 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.001174 tlogG= -0.013914 logG= -0.015088 Density= 0.101242 ETOT(band)= -0.063198 trlgG= -0.079503 logG= -0.015088 TDE= -0.132995 logGD-logG0= -0.005512 tlogG= -0.099970 logG= -0.105482 Density= 0.575995 ETOT(band)= -0.411507 trlgG= -0.520569 logG= -0.105482 TDE= -0.805253 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002764 tlogG= -0.050045 logG= -0.052809 Density= 0.287987 ETOT(band)= -0.205718 trlgG= -0.260325 logG= -0.052809 TDE= -0.402592 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002755 tlogG= -0.050243 logG= -0.052998 Density= 0.287908 ETOT(band)= -0.205886 trlgG= -0.260530 logG= -0.052998 TDE= -0.402554 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.005508 tlogG= -0.100232 logG= -0.105740 Density= 0.575905 ETOT(band)= -0.411714 trlgG= -0.520896 logG= -0.105740 TDE= -0.805260 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.000923 tlogG= -0.016536 logG= -0.017459 Density= 0.096056 ETOT(band)= -0.068437 trlgG= -0.086586 logG= -0.017459 TDE= -0.134193 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003647 tlogG= -0.041036 logG= -0.044683 Density= 0.315354 ETOT(band)= -0.181217 trlgG= -0.229638 logG= -0.044683 TDE= -0.398569 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002771 tlogG= -0.049901 logG= -0.052673 Density= 0.288029 ETOT(band)= -0.205528 trlgG= -0.260084 logG= -0.052673 TDE= -0.402516 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003515 tlogG= -0.041809 logG= -0.045324 Density= 0.317501 ETOT(band)= -0.180302 trlgG= -0.229298 logG= -0.045324 TDE= -0.399042 logGD-logG0= -0.002689 tlogG= -0.050468 logG= -0.053157 Density= 0.287474 ETOT(band)= -0.206632 trlgG= -0.260599 logG= -0.053157 TDE= -0.402170 logGD-logG0= -0.003131 tlogG= -0.044346 logG= -0.047477 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.001484 tlogG= -0.023857 logG= -0.025342 Density= 0.295075 ETOT(band)= -0.196644 trlgG= -0.247960 logG= -0.047477 TDE= -0.400361 Density= 0.146286 ETOT(band)= -0.100573 trlgG= -0.127156 logG= -0.025342 TDE= -0.200905 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002730 tlogG= -0.050226 logG= -0.052956 Density= 0.287822 ETOT(band)= -0.206117 trlgG= -0.260497 logG= -0.052956 TDE= -0.402505 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002733 tlogG= -0.050372 logG= -0.053105 Density= 0.287793 ETOT(band)= -0.206240 trlgG= -0.260733 logG= -0.053105 TDE= -0.402572 logGD-logG0= -0.002748 tlogG= -0.050356 logG= -0.053104 Density= 0.287868 ETOT(band)= -0.206054 trlgG= -0.260717 logG= -0.053104 TDE= -0.402609 logGD-logG0= -0.003202 tlogG= -0.044876 logG= -0.048078 logGD-logG0= -0.003008 tlogG= -0.046764 logG= -0.049773 Density= 0.292961 ETOT(band)= -0.200069 trlgG= -0.252766 logG= -0.049773 TDE= -0.401438 Density= 0.308182 ETOT(band)= -0.188304 trlgG= -0.239887 logG= -0.048078 TDE= -0.400565 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003028 tlogG= -0.047334 logG= -0.050362 Density= 0.294706 ETOT(band)= -0.199428 trlgG= -0.252322 logG= -0.050362 TDE= -0.401587 20) Finished k-point 41 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002914 tlogG= -0.047990 logG= -0.050904 Density= 0.291858 ETOT(band)= -0.201734 trlgG= -0.255128 logG= -0.050904 TDE= -0.401922 logGD-logG0= -0.003111 tlogG= -0.046857 logG= -0.049968 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.307407 ETOT(band)= -0.190523 trlgG= -0.243177 logG= -0.049968 TDE= -0.401440 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002772 tlogG= -0.049843 logG= -0.052615 Density= 0.288079 ETOT(band)= -0.205540 trlgG= -0.260101 logG= -0.052615 TDE= -0.402625 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002736 tlogG= -0.050218 logG= -0.052954 Density= 0.287847 ETOT(band)= -0.206085 trlgG= -0.260527 logG= -0.052954 TDE= -0.402554 logGD-logG0= -0.005900 tlogG= -0.094156 logG= -0.100056 Density= 0.584629 ETOT(band)= -0.401310 trlgG= -0.507185 logG= -0.100056 TDE= -0.803143 logGD-logG0= -0.002898 tlogG= -0.047017 logG= -0.049915 Density= 0.289386 ETOT(band)= -0.202201 trlgG= -0.255634 logG= -0.049915 TDE= -0.401743 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002856 tlogG= -0.047932 logG= -0.050788 Density= 0.288758 ETOT(band)= -0.203378 trlgG= -0.257148 logG= -0.050788 TDE= -0.401958 logGD-logG0= -0.001350 tlogG= -0.025235 logG= -0.026585 Density= 0.143779 ETOT(band)= -0.103280 trlgG= -0.130307 logG= -0.026585 TDE= -0.201115 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006142 tlogG= -0.092671 logG= -0.098813 Density= 0.590989 ETOT(band)= -0.396080 trlgG= -0.500851 logG= -0.098813 TDE= -0.802360 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002877 tlogG= -0.048315 logG= -0.051192 Density= 0.290699 ETOT(band)= -0.202662 trlgG= -0.256390 logG= -0.051192 TDE= -0.402111 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006030 tlogG= -0.090540 logG= -0.096570 Density= 0.586495 ETOT(band)= -0.396880 trlgG= -0.501030 logG= -0.096570 TDE= -0.801738 logGD-logG0= -0.002794 tlogG= -0.049156 logG= -0.051950 logGD-logG0= -0.002824 tlogG= -0.048554 logG= -0.051378 Density= 0.288631 ETOT(band)= -0.204048 trlgG= -0.258206 logG= -0.051378 TDE= -0.402341 Density= 0.288373 ETOT(band)= -0.204757 trlgG= -0.259117 logG= -0.051950 TDE= -0.402505 22) Finished k-point 45 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002795 tlogG= -0.049335 logG= -0.052129 logGD-logG0= -0.002714 tlogG= -0.050444 logG= -0.053159 Density= 0.287670 ETOT(band)= -0.206429 trlgG= -0.260700 logG= -0.053159 TDE= -0.402403 Density= 0.288224 ETOT(band)= -0.204923 trlgG= -0.259287 logG= -0.052129 TDE= -0.402394 logGD-logG0= -0.002703 tlogG= -0.050530 logG= -0.053233 Density= 0.287578 ETOT(band)= -0.206581 trlgG= -0.260760 logG= -0.053233 TDE= -0.402325 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002843 tlogG= -0.048221 logG= -0.051064 Density= 0.288697 ETOT(band)= -0.203685 trlgG= -0.257642 logG= -0.051064 TDE= -0.402134 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002899 tlogG= -0.047150 logG= -0.050049 Density= 0.289716 ETOT(band)= -0.202141 trlgG= -0.255565 logG= -0.050049 TDE= -0.401763 logGD-logG0= -0.005686 tlogG= -0.097005 logG= -0.102691 Density= 0.577572 ETOT(band)= -0.407762 trlgG= -0.515750 logG= -0.102691 TDE= -0.804294 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002720 tlogG= -0.050545 logG= -0.053265 Density= 0.287689 ETOT(band)= -0.206466 trlgG= -0.260903 logG= -0.053265 TDE= -0.402512 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001008 tlogG= -0.014993 logG= -0.016000 Density= 0.097932 ETOT(band)= -0.065941 trlgG= -0.083254 logG= -0.016000 TDE= -0.133591 logGD-logG0= -0.005802 tlogG= -0.094013 logG= -0.099814 logGD-logG0= -0.005821 tlogG= -0.094894 logG= -0.100715 Density= 0.582520 ETOT(band)= -0.403117 trlgG= -0.509715 logG= -0.100715 TDE= -0.803586 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.578878 ETOT(band)= -0.404316 trlgG= -0.510877 logG= -0.099814 TDE= -0.803181 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006126 tlogG= -0.089541 logG= -0.095667 Density= 0.588581 ETOT(band)= -0.394845 trlgG= -0.498094 logG= -0.095667 TDE= -0.801119 logGD-logG0= -0.002750 tlogG= -0.050035 logG= -0.052785 Density= 0.287964 ETOT(band)= -0.205820 trlgG= -0.260328 logG= -0.052785 TDE= -0.402603 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002842 tlogG= -0.048612 logG= -0.051455 Density= 0.288924 ETOT(band)= -0.203934 trlgG= -0.258031 logG= -0.051455 TDE= -0.402287 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.006421 tlogG= -0.087562 logG= -0.093983 Density= 0.600488 ETOT(band)= -0.385566 trlgG= -0.487250 logG= -0.093983 TDE= -0.800024 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.005609 tlogG= -0.098394 logG= -0.104003 Density= 0.576576 ETOT(band)= -0.409545 trlgG= -0.518176 logG= -0.104003 TDE= -0.804733 logGD-logG0= -0.005651 tlogG= -0.097354 logG= -0.103006 logGD-logG0= -0.005587 tlogG= -0.098578 logG= -0.104165 Density= 0.576600 ETOT(band)= -0.409808 trlgG= -0.518614 logG= -0.104165 TDE= -0.805025 Density= 0.577142 ETOT(band)= -0.408384 trlgG= -0.516746 logG= -0.103006 TDE= -0.804683 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005590 tlogG= -0.098800 logG= -0.104390 Density= 0.576474 ETOT(band)= -0.410017 trlgG= -0.518857 logG= -0.104390 TDE= -0.804957 logGD-logG0= -0.002782 tlogG= -0.049604 logG= -0.052386 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.288183 ETOT(band)= -0.205283 trlgG= -0.259781 logG= -0.052386 TDE= -0.402604 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002786 tlogG= -0.049522 logG= -0.052308 Density= 0.288182 ETOT(band)= -0.205143 trlgG= -0.259600 logG= -0.052308 TDE= -0.402500 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005768 tlogG= -0.094719 logG= -0.100487 Density= 0.578383 ETOT(band)= -0.405247 trlgG= -0.512314 logG= -0.100487 TDE= -0.803610 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005660 tlogG= -0.097542 logG= -0.103201 Density= 0.577180 ETOT(band)= -0.408502 trlgG= -0.516840 logG= -0.103201 TDE= -0.804607 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000111 tlogG= -0.002098 logG= -0.002209 Density= 0.083815 ETOT(band)= -0.060272 trlgG= -0.075987 logG= -0.002209 TDE= -0.016755 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.000953 tlogG= -0.015932 logG= -0.016885 Density= 0.168263 ETOT(band)= -0.119313 trlgG= -0.150912 logG= -0.016885 TDE= -0.134026 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002702 tlogG= -0.050441 logG= -0.053144 Density= 0.383488 ETOT(band)= -0.275290 trlgG= -0.347433 logG= -0.053144 TDE= -0.402242 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002735 tlogG= -0.050482 logG= -0.053217 Density= 0.575624 ETOT(band)= -0.412451 trlgG= -0.521670 logG= -0.053217 TDE= -0.402616 logGD-logG0= -0.000688 tlogG= -0.012591 logG= -0.013278 Density= 0.359875 ETOT(band)= -0.257388 trlgG= -0.325701 logG= -0.013278 TDE= -0.100642 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002751 tlogG= -0.050104 logG= -0.052855 Density= 0.863941 ETOT(band)= -0.617403 trlgG= -0.781014 logG= -0.052855 TDE= -0.402638 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002753 tlogG= -0.050240 logG= -0.052993 Density= 0.575899 ETOT(band)= -0.411646 trlgG= -0.520896 logG= -0.052993 TDE= -0.402603 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002749 tlogG= -0.050232 logG= -0.052982 Density= 0.863810 ETOT(band)= -0.617705 trlgG= -0.781497 logG= -0.052982 TDE= -0.402640 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001340 tlogG= -0.025203 logG= -0.026543 Density= 0.239508 ETOT(band)= -0.172204 trlgG= -0.217131 logG= -0.026543 TDE= -0.201074 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003796 tlogG= -0.040419 logG= -0.044215 Density= 0.430274 ETOT(band)= -0.234393 trlgG= -0.298276 logG= -0.044215 TDE= -0.398275 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000671 tlogG= -0.012616 logG= -0.013288 Density= 0.359335 ETOT(band)= -0.258296 trlgG= -0.325753 logG= -0.013288 TDE= -0.100544 57) Finished k-point 116 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000686 tlogG= -0.012616 logG= -0.013301 Density= 0.359824 ETOT(band)= -0.257596 trlgG= -0.325929 logG= -0.013301 TDE= -0.100652 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003300 tlogG= -0.042954 logG= -0.046254 Density= 0.403209 ETOT(band)= -0.254712 trlgG= -0.320868 logG= -0.046254 TDE= -0.399656 logGD-logG0= -0.002761 tlogG= -0.050118 logG= -0.052879 Density= 0.575981 ETOT(band)= -0.411284 trlgG= -0.520455 logG= -0.052879 TDE= -0.402544 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001418 tlogG= -0.024407 logG= -0.025824 Density= 0.433340 ETOT(band)= -0.306018 trlgG= -0.387206 logG= -0.025824 TDE= -0.201175 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.005437 tlogG= -0.100781 logG= -0.106217 Density= 0.863243 ETOT(band)= -0.618818 trlgG= -0.781804 logG= -0.106217 TDE= -0.804867 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003133 tlogG= -0.044030 logG= -0.047163 Density= 0.444675 ETOT(band)= -0.294983 trlgG= -0.372450 logG= -0.047163 TDE= -0.400253 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002724 tlogG= -0.050477 logG= -0.053201 Density= 0.575521 ETOT(band)= -0.412619 trlgG= -0.521562 logG= -0.053201 TDE= -0.402528 logGD-logG0= -0.002821 tlogG= -0.048670 logG= -0.051491 Density= 0.576870 ETOT(band)= -0.409150 trlgG= -0.517767 logG= -0.051491 TDE= -0.402351 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001549 tlogG= -0.023562 logG= -0.025112 Density= 0.461067 ETOT(band)= -0.285927 trlgG= -0.364978 logG= -0.025112 TDE= -0.200775 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003058 tlogG= -0.045675 logG= -0.048732 Density= 0.588558 ETOT(band)= -0.395425 trlgG= -0.498866 logG= -0.048732 TDE= -0.400971 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000675 tlogG= -0.012639 logG= -0.013314 Density= 0.359464 ETOT(band)= -0.258239 trlgG= -0.325956 logG= -0.013314 TDE= -0.100576 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003211 tlogG= -0.043450 logG= -0.046661 Density= 0.594877 ETOT(band)= -0.392336 trlgG= -0.495551 logG= -0.046661 TDE= -0.399897 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002979 tlogG= -0.047472 logG= -0.050451 Density= 0.585629 ETOT(band)= -0.400942 trlgG= -0.506689 logG= -0.050451 TDE= -0.401720 logGD-logG0= -0.002748 tlogG= -0.049977 logG= -0.052726 Density= 0.384035 ETOT(band)= -0.274212 trlgG= -0.346823 logG= -0.052726 TDE= -0.402581 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003287 tlogG= -0.043385 logG= -0.046672 Density= 0.627577 ETOT(band)= -0.366156 trlgG= -0.465781 logG= -0.046672 TDE= -0.399850 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001388 tlogG= -0.024875 logG= -0.026263 Density= 0.432244 ETOT(band)= -0.308010 trlgG= -0.389775 logG= -0.026263 TDE= -0.201314 logGD-logG0= -0.002956 tlogG= -0.045909 logG= -0.048865 Density= 0.582504 ETOT(band)= -0.402207 trlgG= -0.508235 logG= -0.048865 TDE= -0.401119 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000679 tlogG= -0.012650 logG= -0.013329 Density= 0.359602 ETOT(band)= -0.258102 trlgG= -0.326144 logG= -0.013329 TDE= -0.100624 logGD-logG0= -0.002692 tlogG= -0.050465 logG= -0.053158 Density= 0.431285 ETOT(band)= -0.309883 trlgG= -0.390882 logG= -0.053158 TDE= -0.402167 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003145 tlogG= -0.046079 logG= -0.049224 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.615860 ETOT(band)= -0.377978 trlgG= -0.481802 logG= -0.049224 TDE= -0.401105 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002789 tlogG= -0.049565 logG= -0.052353 Density= 0.864653 ETOT(band)= -0.615206 trlgG= -0.778523 logG= -0.052353 TDE= -0.402519 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.006818 tlogG= -0.084604 logG= -0.091422 Density= 0.927242 ETOT(band)= -0.557944 trlgG= -0.705096 logG= -0.091422 TDE= -0.798515 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.001366 tlogG= -0.025152 logG= -0.026518 Density= 0.431747 ETOT(band)= -0.309184 trlgG= -0.390842 logG= -0.026518 TDE= -0.201272 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006077 tlogG= -0.094153 logG= -0.100230 Density= 1.180746 ETOT(band)= -0.794260 trlgG= -1.004560 logG= -0.100230 TDE= -0.802967 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005845 tlogG= -0.095513 logG= -0.101358 Density= 1.168572 ETOT(band)= -0.804231 trlgG= -1.016666 logG= -0.101358 TDE= -0.803674 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002948 tlogG= -0.046082 logG= -0.049031 Density= 0.388535 ETOT(band)= -0.266594 trlgG= -0.336749 logG= -0.049031 TDE= -0.401312 logGD-logG0= -0.005647 tlogG= -0.097388 logG= -0.103034 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.865677 ETOT(band)= -0.611832 trlgG= -0.773820 logG= -0.103034 TDE= -0.804429 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002798 tlogG= -0.049369 logG= -0.052167 Density= 0.864806 ETOT(band)= -0.614503 trlgG= -0.777512 logG= -0.052167 TDE= -0.402409 logGD-logG0= -0.002707 tlogG= -0.050495 logG= -0.053202 Density= 0.575284 ETOT(band)= -0.412951 trlgG= -0.521423 logG= -0.053202 TDE= -0.402344 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002770 tlogG= -0.049788 logG= -0.052557 Density= 0.576170 ETOT(band)= -0.411018 trlgG= -0.520109 logG= -0.052557 TDE= -0.402597 logGD-logG0= -0.002933 tlogG= -0.046333 logG= -0.049266 Density= 0.580748 ETOT(band)= -0.403859 trlgG= -0.510563 logG= -0.049266 TDE= -0.401379 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005554 tlogG= -0.099510 logG= -0.105064 logGD-logG0= -0.005542 tlogG= -0.099310 logG= -0.104852 Density= 0.864670 ETOT(band)= -0.615467 trlgG= -0.778787 logG= -0.104852 TDE= -0.805187 Density= 0.864379 ETOT(band)= -0.615670 trlgG= -0.779051 logG= -0.105064 TDE= -0.804973 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002797 tlogG= -0.049187 logG= -0.051984 Density= 0.576989 ETOT(band)= -0.408841 trlgG= -0.517377 logG= -0.051984 TDE= -0.402514 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002836 tlogG= -0.048705 logG= -0.051541 Density= 0.866282 ETOT(band)= -0.611868 trlgG= -0.773936 logG= -0.051541 TDE= -0.402211 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005771 tlogG= -0.096181 logG= -0.101952 Density= 1.164200 ETOT(band)= -0.807875 trlgG= -1.021715 logG= -0.101952 TDE= -0.804064 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002863 tlogG= -0.048032 logG= -0.050895 Density= 0.578925 ETOT(band)= -0.405381 trlgG= -0.512648 logG= -0.050895 TDE= -0.402091 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005626 tlogG= -0.097866 logG= -0.103491 Density= 0.865516 ETOT(band)= -0.612664 trlgG= -0.775122 logG= -0.103491 TDE= -0.804713 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005712 tlogG= -0.095847 logG= -0.101559 Density= 0.867175 ETOT(band)= -0.608828 trlgG= -0.770000 logG= -0.101559 TDE= -0.804188 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005729 tlogG= -0.095821 logG= -0.101550 Density= 1.156913 ETOT(band)= -0.810749 trlgG= -1.024759 logG= -0.101550 TDE= -0.803880 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005907 tlogG= -0.092934 logG= -0.098841 Density= 1.170414 ETOT(band)= -0.797420 trlgG= -1.007142 logG= -0.098841 TDE= -0.802805 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005474 tlogG= -0.100571 logG= -0.106045 Density= 0.863640 ETOT(band)= -0.618083 trlgG= -0.781593 logG= -0.106045 TDE= -0.805169 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002823 tlogG= -0.048964 logG= -0.051787 Density= 0.865699 ETOT(band)= -0.612969 trlgG= -0.775552 logG= -0.051787 TDE= -0.402361 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.005991 tlogG= -0.092078 logG= -0.098069 Density= 1.174364 ETOT(band)= -0.793615 trlgG= -1.001642 logG= -0.098069 TDE= -0.802275 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005556 tlogG= -0.099398 logG= -0.104954 Density= 1.152869 ETOT(band)= -0.820557 trlgG= -1.038409 logG= -0.104954 TDE= -0.805193 38) Finished k-point 78 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005616 tlogG= -0.098354 logG= -0.103970 Density= 1.153892 ETOT(band)= -0.817912 trlgG= -1.035012 logG= -0.103970 TDE= -0.804973 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006250 tlogG= -0.090378 logG= -0.096628 Density= 1.194072 ETOT(band)= -0.777935 trlgG= -0.983147 logG= -0.096628 TDE= -0.801349 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005539 tlogG= -0.099819 logG= -0.105357 Density= 0.864253 ETOT(band)= -0.616281 trlgG= -0.779878 logG= -0.105357 TDE= -0.805139 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005700 tlogG= -0.096419 logG= -0.102118 Density= 1.155997 ETOT(band)= -0.812480 trlgG= -1.027402 logG= -0.102118 TDE= -0.804232 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Sum of eigenvalues= -386.362610536445 eV TrLogG= -488.495228405830 eV Ratio to renormalize= 1.000399500548 rho-rho_expected=-0.016372981465 nargs= 1 argi=dmft2.def 59) Finished k-point number 119 1 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 52) Finished k-point number 105 1 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 56) Finished k-point number 113 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 33) Finished k-point number 67 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 2) Finished k-point number 6 2 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 46) Finished k-point number 93 1 with #bands= 19 53) Finished k-point number 107 1 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 56) Finished k-point number 114 2 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 21) Finished k-point number 43 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 53) Finished k-point number 108 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 25) Finished k-point number 52 2 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 11) Finished k-point number 23 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 57) Finished k-point number 115 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 45) Finished k-point number 92 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 3) Finished k-point number 8 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 9) Finished k-point number 19 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 8) Finished k-point number 17 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 23) Finished k-point number 48 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 17) Finished k-point number 36 2 with #bands= 19 34) Finished k-point number 70 2 with #bands= 19 16) Finished k-point number 34 2 with #bands= 19 28) Finished k-point number 57 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 32) Finished k-point number 66 2 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.864226481265818 0.871352217101200 0.849574835937490 58) Finished k-point number 117 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 41) Finished k-point number 83 1 with #bands= 19 32) Finished k-point number 65 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 46) Finished k-point number 93 1 with #bands= 19 37) Finished k-point number 75 1 with #bands= 19 4) Finished k-point number 9 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 40) Finished k-point number 81 1 with #bands= 19 39) Finished k-point number 79 1 with #bands= 19 19) Finished k-point number 39 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 21) Finished k-point number 43 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 25) Finished k-point number 51 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 41) Finished k-point number 84 2 with #bands= 19 0) Finished k-point number 2 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 58) Finished k-point number 118 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 18) Finished k-point number 38 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 3) Finished k-point number 8 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 7) Finished k-point number 16 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 33) Finished k-point number 68 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 55) Finished k-point number 112 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 19 6) Finished k-point number 14 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 12) Finished k-point number 26 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 5) Finished k-point number 12 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 24) Finished k-point number 50 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 9.21618604841318 Density= 41.0001144228917 41.0000000000000 EF 8.94407221629960 Density= 40.6892570493819 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.67737724 0.65737724 0.114423E-03 -0.310743 1 0.67736988 0.67737724 -0.520031E-04 0.114423E-03 2 0.67737218 0.67737724 -0.164246E-07 0.114423E-03 3 0.67737218 0.67737724 0.00000 0.114423E-03 Absolute convergence of |F(X)|. Difference in EF= -0.0000688544 EF set to : 9.2161171940 new EF (no-mixing): 9.2161171940 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.000894 tlogG= -0.016809 logG= -0.017703 Density= 0.095809 ETOT(band)= -0.068881 trlgG= -0.086855 logG= -0.017703 TDE= -0.134050 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000904 tlogG= -0.016789 logG= -0.017694 Density= 0.095896 ETOT(band)= -0.068787 trlgG= -0.086858 logG= -0.017694 TDE= -0.134122 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000683 tlogG= -0.012644 logG= -0.013326 Density= 0.071938 ETOT(band)= -0.051597 trlgG= -0.065252 logG= -0.013326 TDE= -0.100654 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001323 tlogG= -0.013260 logG= -0.014583 Density= 0.111282 ETOT(band)= -0.055994 trlgG= -0.071867 logG= -0.014583 TDE= -0.132663 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002740 tlogG= -0.050392 logG= -0.053131 Density= 0.287834 ETOT(band)= -0.206175 trlgG= -0.260788 logG= -0.053131 TDE= -0.402628 logGD-logG0= -0.005512 tlogG= -0.099977 logG= -0.105489 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002801 tlogG= -0.049355 logG= -0.052157 Density= 0.288309 ETOT(band)= -0.204967 trlgG= -0.259399 logG= -0.052157 TDE= -0.402535 Density= 0.575996 ETOT(band)= -0.411516 trlgG= -0.520585 logG= -0.105489 TDE= -0.805259 37) Finished k-point 75 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001174 tlogG= -0.013915 logG= -0.015089 Density= 0.101242 ETOT(band)= -0.063199 trlgG= -0.079506 logG= -0.015089 TDE= -0.132996 logGD-logG0= -0.000669 tlogG= -0.012595 logG= -0.013264 Density= 0.071842 ETOT(band)= -0.051663 trlgG= -0.065135 logG= -0.013264 TDE= -0.100535 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002771 tlogG= -0.049905 logG= -0.052676 Density= 0.288029 ETOT(band)= -0.205533 trlgG= -0.260092 logG= -0.052676 TDE= -0.402519 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 25 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.005508 tlogG= -0.100239 logG= -0.105747 Density= 0.575906 ETOT(band)= -0.411723 trlgG= -0.520912 logG= -0.105747 TDE= -0.805267 logGD-logG0= -0.000923 tlogG= -0.016538 logG= -0.017460 Density= 0.096056 ETOT(band)= -0.068438 trlgG= -0.086589 logG= -0.017460 TDE= -0.134194 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.001008 tlogG= -0.014994 logG= -0.016001 Density= 0.097933 ETOT(band)= -0.065942 trlgG= -0.083257 logG= -0.016001 TDE= -0.133592 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002772 tlogG= -0.049846 logG= -0.052618 Density= 0.288079 ETOT(band)= -0.205544 trlgG= -0.260109 logG= -0.052618 TDE= -0.402628 logGD-logG0= -0.002763 tlogG= -0.050049 logG= -0.052812 Density= 0.287987 ETOT(band)= -0.205722 trlgG= -0.260333 logG= -0.052812 TDE= -0.402596 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002755 tlogG= -0.050247 logG= -0.053002 logGD-logG0= -0.003647 tlogG= -0.041040 logG= -0.044687 Density= 0.287909 ETOT(band)= -0.205890 trlgG= -0.260538 logG= -0.053002 TDE= -0.402557 Density= 0.315349 ETOT(band)= -0.181225 trlgG= -0.229651 logG= -0.044687 TDE= -0.398572 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002748 tlogG= -0.050359 logG= -0.053107 Density= 0.287868 ETOT(band)= -0.206058 trlgG= -0.260725 logG= -0.053107 TDE= -0.402612 logGD-logG0= -0.003515 tlogG= -0.041813 logG= -0.045328 Density= 0.317501 ETOT(band)= -0.180307 trlgG= -0.229307 logG= -0.045328 TDE= -0.399045 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002914 tlogG= -0.047994 logG= -0.050907 Density= 0.291859 ETOT(band)= -0.201739 trlgG= -0.255136 logG= -0.050907 TDE= -0.401926 logGD-logG0= -0.002736 tlogG= -0.050221 logG= -0.052957 Density= 0.287847 ETOT(band)= -0.206090 trlgG= -0.260535 logG= -0.052957 TDE= -0.402558 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002689 tlogG= -0.050471 logG= -0.053160 Density= 0.287474 ETOT(band)= -0.206637 trlgG= -0.260607 logG= -0.053160 TDE= -0.402173 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001484 tlogG= -0.023859 logG= -0.025343 Density= 0.146286 ETOT(band)= -0.100575 trlgG= -0.127160 logG= -0.025343 TDE= -0.200907 logGD-logG0= -0.003202 tlogG= -0.044879 logG= -0.048081 Density= 0.308182 ETOT(band)= -0.188308 trlgG= -0.239895 logG= -0.048081 TDE= -0.400568 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003111 tlogG= -0.046861 logG= -0.049972 Density= 0.307407 ETOT(band)= -0.190527 trlgG= -0.243186 logG= -0.049972 TDE= -0.401443 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003028 tlogG= -0.047338 logG= -0.050366 Density= 0.294703 ETOT(band)= -0.199435 trlgG= -0.252333 logG= -0.050366 TDE= -0.401590 logGD-logG0= -0.001350 tlogG= -0.025237 logG= -0.026586 Density= 0.143779 ETOT(band)= -0.103282 trlgG= -0.130311 logG= -0.026586 TDE= -0.201117 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002733 tlogG= -0.050376 logG= -0.053109 Density= 0.287793 ETOT(band)= -0.206245 trlgG= -0.260741 logG= -0.053109 TDE= -0.402575 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002877 tlogG= -0.048318 logG= -0.051195 logGD-logG0= -0.002714 tlogG= -0.050448 logG= -0.053162 Density= 0.287670 ETOT(band)= -0.206434 trlgG= -0.260708 logG= -0.053162 TDE= -0.402406 Density= 0.290700 ETOT(band)= -0.202666 trlgG= -0.256398 logG= -0.051195 TDE= -0.402115 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002898 tlogG= -0.047020 logG= -0.049918 Density= 0.289386 ETOT(band)= -0.202206 trlgG= -0.255642 logG= -0.049918 TDE= -0.401746 logGD-logG0= -0.002703 tlogG= -0.050533 logG= -0.053236 Density= 0.287578 ETOT(band)= -0.206585 trlgG= -0.260768 logG= -0.053236 TDE= -0.402329 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002730 tlogG= -0.050230 logG= -0.052960 Density= 0.287822 ETOT(band)= -0.206122 trlgG= -0.260505 logG= -0.052960 TDE= -0.402508 logGD-logG0= -0.006142 tlogG= -0.092678 logG= -0.098821 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.590981 ETOT(band)= -0.396095 trlgG= -0.500874 logG= -0.098821 TDE= -0.802367 logGD-logG0= -0.005900 tlogG= -0.094164 logG= -0.100063 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.584629 ETOT(band)= -0.401319 trlgG= -0.507201 logG= -0.100063 TDE= -0.803150 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002856 tlogG= -0.047936 logG= -0.050792 Density= 0.288758 ETOT(band)= -0.203382 trlgG= -0.257156 logG= -0.050792 TDE= -0.401961 logGD-logG0= -0.002720 tlogG= -0.050548 logG= -0.053268 Density= 0.287689 ETOT(band)= -0.206471 trlgG= -0.260911 logG= -0.053268 TDE= -0.402516 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003131 tlogG= -0.044350 logG= -0.047481 Density= 0.295076 ETOT(band)= -0.196648 trlgG= -0.247969 logG= -0.047481 TDE= -0.400364 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002899 tlogG= -0.047154 logG= -0.050052 Density= 0.289716 ETOT(band)= -0.202145 trlgG= -0.255573 logG= -0.050052 TDE= -0.401766 logGD-logG0= -0.003008 tlogG= -0.046768 logG= -0.049776 Density= 0.292961 ETOT(band)= -0.200074 trlgG= -0.252774 logG= -0.049776 TDE= -0.401442 logGD-logG0= -0.002824 tlogG= -0.048558 logG= -0.051381 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002794 tlogG= -0.049159 logG= -0.051953 Density= 0.288374 ETOT(band)= -0.204761 trlgG= -0.259126 logG= -0.051953 TDE= -0.402509 Density= 0.288631 ETOT(band)= -0.204052 trlgG= -0.258214 logG= -0.051381 TDE= -0.402344 20) Finished k-point 41 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005686 tlogG= -0.097012 logG= -0.102698 Density= 0.577573 ETOT(band)= -0.407771 trlgG= -0.515766 logG= -0.102698 TDE= -0.804300 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002842 tlogG= -0.048616 logG= -0.051458 logGD-logG0= -0.002843 tlogG= -0.048225 logG= -0.051068 Density= 0.288924 ETOT(band)= -0.203938 trlgG= -0.258039 logG= -0.051458 TDE= -0.402290 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.288697 ETOT(band)= -0.203689 trlgG= -0.257650 logG= -0.051068 TDE= -0.402137 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005609 tlogG= -0.098401 logG= -0.104010 Density= 0.576577 ETOT(band)= -0.409554 trlgG= -0.518193 logG= -0.104010 TDE= -0.804740 logGD-logG0= -0.005802 tlogG= -0.094020 logG= -0.099822 Density= 0.578879 ETOT(band)= -0.404325 trlgG= -0.510893 logG= -0.099822 TDE= -0.803188 logGD-logG0= -0.005587 tlogG= -0.098585 logG= -0.104172 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.576600 ETOT(band)= -0.409817 trlgG= -0.518630 logG= -0.104172 TDE= -0.805031 logGD-logG0= -0.002750 tlogG= -0.050039 logG= -0.052789 logGD-logG0= -0.006126 tlogG= -0.089549 logG= -0.095675 Density= 0.588583 ETOT(band)= -0.394854 trlgG= -0.498111 logG= -0.095675 TDE= -0.801126 Density= 0.287965 ETOT(band)= -0.205825 trlgG= -0.260336 logG= -0.052789 TDE= -0.402606 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002786 tlogG= -0.049525 logG= -0.052311 Density= 0.288182 ETOT(band)= -0.205148 trlgG= -0.259608 logG= -0.052311 TDE= -0.402504 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005651 tlogG= -0.097361 logG= -0.103013 Density= 0.577142 ETOT(band)= -0.408393 trlgG= -0.516763 logG= -0.103013 TDE= -0.804690 logGD-logG0= -0.005821 tlogG= -0.094901 logG= -0.100723 Density= 0.582522 ETOT(band)= -0.403125 trlgG= -0.509731 logG= -0.100723 TDE= -0.803592 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005660 tlogG= -0.097549 logG= -0.103209 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.577181 ETOT(band)= -0.408511 trlgG= -0.516856 logG= -0.103209 TDE= -0.804614 logGD-logG0= -0.002795 tlogG= -0.049338 logG= -0.052133 Density= 0.288224 ETOT(band)= -0.204928 trlgG= -0.259295 logG= -0.052133 TDE= -0.402397 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006421 tlogG= -0.087570 logG= -0.093991 Density= 0.600481 ETOT(band)= -0.385581 trlgG= -0.487273 logG= -0.093991 TDE= -0.800031 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006030 tlogG= -0.090547 logG= -0.096577 Density= 0.586496 ETOT(band)= -0.396889 trlgG= -0.501046 logG= -0.096577 TDE= -0.801745 22) Finished k-point 45 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.005768 tlogG= -0.094726 logG= -0.100494 Density= 0.578383 ETOT(band)= -0.405256 trlgG= -0.512330 logG= -0.100494 TDE= -0.803617 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005590 tlogG= -0.098807 logG= -0.104397 Density= 0.576474 ETOT(band)= -0.410026 trlgG= -0.518873 logG= -0.104397 TDE= -0.804964 logGD-logG0= -0.002782 tlogG= -0.049608 logG= -0.052390 Density= 0.288183 ETOT(band)= -0.205287 trlgG= -0.259789 logG= -0.052390 TDE= -0.402607 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000111 tlogG= -0.002098 logG= -0.002209 Density= 0.083815 ETOT(band)= -0.060273 trlgG= -0.075989 logG= -0.002209 TDE= -0.016755 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.000688 tlogG= -0.012592 logG= -0.013279 Density= 0.359876 ETOT(band)= -0.257394 trlgG= -0.325711 logG= -0.013279 TDE= -0.100642 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002751 tlogG= -0.050107 logG= -0.052859 Density= 0.863941 ETOT(band)= -0.617417 trlgG= -0.781038 logG= -0.052859 TDE= -0.402641 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000953 tlogG= -0.015933 logG= -0.016886 Density= 0.168263 ETOT(band)= -0.119315 trlgG= -0.150916 logG= -0.016886 TDE= -0.134027 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000686 tlogG= -0.012617 logG= -0.013302 logGD-logG0= -0.002753 tlogG= -0.050243 logG= -0.052997 Density= 0.575899 ETOT(band)= -0.411655 trlgG= -0.520912 logG= -0.052997 TDE= -0.402606 Density= 0.359825 ETOT(band)= -0.257601 trlgG= -0.325939 logG= -0.013302 TDE= -0.100653 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002735 tlogG= -0.050485 logG= -0.053220 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 Density= 0.575625 ETOT(band)= -0.412460 trlgG= -0.521686 logG= -0.053220 TDE= -0.402619 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002761 tlogG= -0.050122 logG= -0.052883 Density= 0.575982 ETOT(band)= -0.411293 trlgG= -0.520471 logG= -0.052883 TDE= -0.402547 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000671 tlogG= -0.012617 logG= -0.013288 Density= 0.359335 ETOT(band)= -0.258302 trlgG= -0.325763 logG= -0.013288 TDE= -0.100545 57) Finished k-point 116 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002749 tlogG= -0.050236 logG= -0.052985 Density= 0.863811 ETOT(band)= -0.617719 trlgG= -0.781521 logG= -0.052985 TDE= -0.402643 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003796 tlogG= -0.040423 logG= -0.044219 Density= 0.430274 ETOT(band)= -0.234400 trlgG= -0.298288 logG= -0.044219 TDE= -0.398279 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.001418 tlogG= -0.024409 logG= -0.025826 Density= 0.433341 ETOT(band)= -0.306025 trlgG= -0.387218 logG= -0.025826 TDE= -0.201177 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003300 tlogG= -0.042958 logG= -0.046258 Density= 0.403209 ETOT(band)= -0.254718 trlgG= -0.320879 logG= -0.046258 TDE= -0.399659 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.001340 tlogG= -0.025205 logG= -0.026544 Density= 0.239508 ETOT(band)= -0.172207 trlgG= -0.217138 logG= -0.026544 TDE= -0.201076 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002748 tlogG= -0.049981 logG= -0.052729 Density= 0.384035 ETOT(band)= -0.274218 trlgG= -0.346834 logG= -0.052729 TDE= -0.402585 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002692 tlogG= -0.050469 logG= -0.053161 Density= 0.431285 ETOT(band)= -0.309889 trlgG= -0.390894 logG= -0.053161 TDE= -0.402170 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003133 tlogG= -0.044033 logG= -0.047167 Density= 0.444677 ETOT(band)= -0.294990 trlgG= -0.372462 logG= -0.047167 TDE= -0.400257 logGD-logG0= -0.002948 tlogG= -0.046086 logG= -0.049034 Density= 0.388536 ETOT(band)= -0.266600 trlgG= -0.336760 logG= -0.049034 TDE= -0.401315 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002823 tlogG= -0.048967 logG= -0.051790 Density= 0.865699 ETOT(band)= -0.612982 trlgG= -0.775576 logG= -0.051790 TDE= -0.402364 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.005437 tlogG= -0.100788 logG= -0.106224 Density= 0.863243 ETOT(band)= -0.618831 trlgG= -0.781828 logG= -0.106224 TDE= -0.804874 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002707 tlogG= -0.050499 logG= -0.053206 Density= 0.575284 ETOT(band)= -0.412960 trlgG= -0.521439 logG= -0.053206 TDE= -0.402347 logGD-logG0= -0.001549 tlogG= -0.023564 logG= -0.025113 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.461067 ETOT(band)= -0.285934 trlgG= -0.364991 logG= -0.025113 TDE= -0.200777 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002821 tlogG= -0.048674 logG= -0.051494 Density= 0.576871 ETOT(band)= -0.409158 trlgG= -0.517784 logG= -0.051494 TDE= -0.402354 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001388 tlogG= -0.024877 logG= -0.026265 Density= 0.432245 ETOT(band)= -0.308016 trlgG= -0.389787 logG= -0.026265 TDE= -0.201316 logGD-logG0= -0.002956 tlogG= -0.045913 logG= -0.048868 Density= 0.582505 ETOT(band)= -0.402215 trlgG= -0.508251 logG= -0.048868 TDE= -0.401122 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003287 tlogG= -0.043389 logG= -0.046676 Density= 0.627578 ETOT(band)= -0.366165 trlgG= -0.465798 logG= -0.046676 TDE= -0.399853 logGD-logG0= -0.002770 tlogG= -0.049791 logG= -0.052561 Density= 0.576170 ETOT(band)= -0.411026 trlgG= -0.520125 logG= -0.052561 TDE= -0.402600 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002798 tlogG= -0.049373 logG= -0.052171 Density= 0.864807 ETOT(band)= -0.614517 trlgG= -0.777536 logG= -0.052171 TDE= -0.402412 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.003145 tlogG= -0.046083 logG= -0.049228 Density= 0.615861 ETOT(band)= -0.377987 trlgG= -0.481819 logG= -0.049228 TDE= -0.401108 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002702 tlogG= -0.050445 logG= -0.053147 Density= 0.383489 ETOT(band)= -0.275296 trlgG= -0.347444 logG= -0.053147 TDE= -0.402245 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006077 tlogG= -0.094160 logG= -0.100237 Density= 1.180732 ETOT(band)= -0.794289 trlgG= -1.004604 logG= -0.100237 TDE= -0.802973 logGD-logG0= -0.002979 tlogG= -0.047475 logG= -0.050454 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.585630 ETOT(band)= -0.400951 trlgG= -0.506706 logG= -0.050454 TDE= -0.401723 logGD-logG0= -0.006818 tlogG= -0.084612 logG= -0.091430 Density= 0.927230 ETOT(band)= -0.557968 trlgG= -0.705131 logG= -0.091430 TDE= -0.798522 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.003058 tlogG= -0.045679 logG= -0.048736 Density= 0.588559 ETOT(band)= -0.395434 trlgG= -0.498883 logG= -0.048736 TDE= -0.400975 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002933 tlogG= -0.046337 logG= -0.049270 Density= 0.580749 ETOT(band)= -0.403868 trlgG= -0.510579 logG= -0.049270 TDE= -0.401382 logGD-logG0= -0.002789 tlogG= -0.049568 logG= -0.052357 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.864654 ETOT(band)= -0.615220 trlgG= -0.778547 logG= -0.052357 TDE= -0.402523 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.005845 tlogG= -0.095520 logG= -0.101365 Density= 1.168574 ETOT(band)= -0.804248 trlgG= -1.016699 logG= -0.101365 TDE= -0.803680 logGD-logG0= -0.003211 tlogG= -0.043453 logG= -0.046665 Density= 0.594874 ETOT(band)= -0.392347 trlgG= -0.495570 logG= -0.046665 TDE= -0.399900 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005647 tlogG= -0.097395 logG= -0.103042 Density= 0.865677 ETOT(band)= -0.611845 trlgG= -0.773845 logG= -0.103042 TDE= -0.804436 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005542 tlogG= -0.099317 logG= -0.104859 Density= 0.864670 ETOT(band)= -0.615480 trlgG= -0.778811 logG= -0.104859 TDE= -0.805194 logGD-logG0= -0.002863 tlogG= -0.048036 logG= -0.050899 Density= 0.578925 ETOT(band)= -0.405389 trlgG= -0.512664 logG= -0.050899 TDE= -0.402095 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002836 tlogG= -0.048709 logG= -0.051545 Density= 0.866283 ETOT(band)= -0.611881 trlgG= -0.773960 logG= -0.051545 TDE= -0.402214 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002797 tlogG= -0.049190 logG= -0.051988 Density= 0.576990 ETOT(band)= -0.408850 trlgG= -0.517393 logG= -0.051988 TDE= -0.402517 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000679 tlogG= -0.012651 logG= -0.013330 Density= 0.359602 ETOT(band)= -0.258107 trlgG= -0.326154 logG= -0.013330 TDE= -0.100625 logGD-logG0= -0.005625 tlogG= -0.097873 logG= -0.103498 Density= 0.865517 ETOT(band)= -0.612678 trlgG= -0.775146 logG= -0.103498 TDE= -0.804720 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005712 tlogG= -0.095854 logG= -0.101566 Density= 0.867176 ETOT(band)= -0.608842 trlgG= -0.770024 logG= -0.101566 TDE= -0.804194 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005474 tlogG= -0.100578 logG= -0.106052 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.863641 ETOT(band)= -0.618097 trlgG= -0.781617 logG= -0.106052 TDE= -0.805176 logGD-logG0= -0.005771 tlogG= -0.096188 logG= -0.101959 Density= 1.164203 ETOT(band)= -0.807893 trlgG= -1.021747 logG= -0.101959 TDE= -0.804071 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005729 tlogG= -0.095829 logG= -0.101557 Density= 1.156915 ETOT(band)= -0.810766 trlgG= -1.024792 logG= -0.101557 TDE= -0.803887 logGD-logG0= -0.005556 tlogG= -0.099405 logG= -0.104961 Density= 1.152870 ETOT(band)= -0.820575 trlgG= -1.038442 logG= -0.104961 TDE= -0.805200 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005539 tlogG= -0.099826 logG= -0.105364 Density= 0.864254 ETOT(band)= -0.616294 trlgG= -0.779903 logG= -0.105364 TDE= -0.805145 38) Finished k-point 78 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005991 tlogG= -0.092085 logG= -0.098076 Density= 1.174366 ETOT(band)= -0.793633 trlgG= -1.001675 logG= -0.098076 TDE= -0.802282 logGD-logG0= -0.001366 tlogG= -0.025154 logG= -0.026520 Density= 0.431748 ETOT(band)= -0.309190 trlgG= -0.390854 logG= -0.026520 TDE= -0.201273 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005616 tlogG= -0.098361 logG= -0.103977 Density= 1.153893 ETOT(band)= -0.817930 trlgG= -1.035044 logG= -0.103977 TDE= -0.804980 logGD-logG0= -0.005554 tlogG= -0.099517 logG= -0.105071 Density= 0.864380 ETOT(band)= -0.615683 trlgG= -0.779075 logG= -0.105071 TDE= -0.804980 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000675 tlogG= -0.012640 logG= -0.013315 Density= 0.359464 ETOT(band)= -0.258244 trlgG= -0.325966 logG= -0.013315 TDE= -0.100577 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006250 tlogG= -0.090385 logG= -0.096635 Density= 1.194056 ETOT(band)= -0.777966 trlgG= -0.983193 logG= -0.096635 TDE= -0.801356 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005907 tlogG= -0.092941 logG= -0.098848 Density= 1.170416 ETOT(band)= -0.797437 trlgG= -1.007175 logG= -0.098848 TDE= -0.802812 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005700 tlogG= -0.096426 logG= -0.102126 Density= 1.155998 ETOT(band)= -0.812498 trlgG= -1.027434 logG= -0.102126 TDE= -0.804239 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002724 tlogG= -0.050481 logG= -0.053205 Density= 0.575521 ETOT(band)= -0.412628 trlgG= -0.521578 logG= -0.053205 TDE= -0.402531 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Sum of eigenvalues= -386.371624119694 eV TrLogG= -488.511259770337 eV Ratio to renormalize= 1.000399677735 rho-rho_expected=-0.016380240319 nargs= 1 argi=dmft2.def 10) Finished k-point number 21 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 49) Finished k-point number 99 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 19 49) Finished k-point number 100 2 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 41) Finished k-point number 83 1 with #bands= 19 50) Finished k-point number 101 1 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 54) Finished k-point number 110 2 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 29) Finished k-point number 60 2 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 50) Finished k-point number 102 2 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 17) Finished k-point number 36 2 with #bands= 19 52) Finished k-point number 105 1 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 52) Finished k-point number 106 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 19 4) Finished k-point number 9 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 25) Finished k-point number 51 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 33) Finished k-point number 67 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 37) Finished k-point number 75 1 with #bands= 19 12) Finished k-point number 25 1 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 47) Finished k-point number 95 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 37) Finished k-point number 76 2 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 12) Finished k-point number 26 2 with #bands= 19 23) Finished k-point number 48 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 44) Finished k-point number 89 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 44) Finished k-point number 90 2 with #bands= 19 38) Finished k-point number 78 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 59) Finished k-point number 119 1 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 24) Finished k-point number 50 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.864239497950746 0.871366156808448 0.849583787759607 58) Finished k-point number 117 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 50) Finished k-point number 101 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 37) Finished k-point number 75 1 with #bands= 19 46) Finished k-point number 93 1 with #bands= 19 17) Finished k-point number 35 1 with #bands= 19 32) Finished k-point number 65 1 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 39) Finished k-point number 79 1 with #bands= 19 40) Finished k-point number 81 1 with #bands= 19 31) Finished k-point number 63 1 with #bands= 19 19) Finished k-point number 39 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 1) Finished k-point number 3 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 18) Finished k-point number 38 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 31) Finished k-point number 64 2 with #bands= 19 58) Finished k-point number 118 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 16) Finished k-point number 34 2 with #bands= 19 42) Finished k-point number 86 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 21) Finished k-point number 44 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 19) Finished k-point number 40 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 23) Finished k-point number 48 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 7) Finished k-point number 16 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 19 10) Finished k-point number 22 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 27) Finished k-point number 56 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 6) Finished k-point number 14 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 53) Finished k-point number 108 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 9.21611719398466 Density= 40.9855720492718 41.0000000000000 EF 9.48823102609824 Density= 41.3973830764206 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.69737218 0.67737218 0.397383 -0.144280E-01 1 0.68737218 0.67737220 0.228701 -0.144279E-01 2 0.68237219 0.67737243 0.132072 -0.144279E-01 3 0.67987231 0.67737208 0.515187E-01 -0.144279E-01 4 0.67862219 0.67737225 0.131442E-01 -0.144279E-01 5 0.67806302 0.67862219 -0.838130E-03 0.131442E-01 6 0.67809654 0.67862219 -0.846613E-04 0.131442E-01 7 0.67810028 0.67862219 -0.345436E-06 0.131442E-01 8 0.67810029 0.67862219 -0.151800E-09 0.131442E-01 9 0.67810029 0.67810029 0.210193E-08 -0.151800E-09 10 0.67810029 0.67810029 0.210193E-08 -0.151800E-09 Absolute convergence of the X interval. Difference in EF= 0.0099064960 EF set to : 9.2260236900 new EF (no-mixing): 9.2260236900 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.000904 tlogG= -0.016792 logG= -0.017696 Density= 0.095897 ETOT(band)= -0.068723 trlgG= -0.086798 logG= -0.017696 TDE= -0.134129 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000894 tlogG= -0.016811 logG= -0.017705 Density= 0.095810 ETOT(band)= -0.068817 trlgG= -0.086793 logG= -0.017705 TDE= -0.134056 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002740 tlogG= -0.050401 logG= -0.053140 Density= 0.287836 ETOT(band)= -0.205985 trlgG= -0.260609 logG= -0.053140 TDE= -0.402650 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001323 tlogG= -0.013263 logG= -0.014586 Density= 0.111283 ETOT(band)= -0.055918 trlgG= -0.071794 logG= -0.014586 TDE= -0.132669 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002801 tlogG= -0.049365 logG= -0.052166 Density= 0.288311 ETOT(band)= -0.204776 trlgG= -0.259220 logG= -0.052166 TDE= -0.402557 37) Finished k-point 75 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.001174 tlogG= -0.013918 logG= -0.015092 Density= 0.101243 ETOT(band)= -0.063132 trlgG= -0.079442 logG= -0.015092 TDE= -0.133003 logGD-logG0= -0.002755 tlogG= -0.050256 logG= -0.053011 Density= 0.287910 ETOT(band)= -0.205700 trlgG= -0.260359 logG= -0.053011 TDE= -0.402580 logGD-logG0= -0.005512 tlogG= -0.099995 logG= -0.105507 Density= 0.575999 ETOT(band)= -0.411135 trlgG= -0.520226 logG= -0.105507 TDE= -0.805304 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002772 tlogG= -0.049856 logG= -0.052628 Density= 0.288081 ETOT(band)= -0.205354 trlgG= -0.259930 logG= -0.052628 TDE= -0.402650 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002748 tlogG= -0.050368 logG= -0.053116 Density= 0.287870 ETOT(band)= -0.205868 trlgG= -0.260546 logG= -0.053116 TDE= -0.402634 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.005508 tlogG= -0.100258 logG= -0.105766 Density= 0.575909 ETOT(band)= -0.411342 trlgG= -0.520553 logG= -0.105766 TDE= -0.805311 logGD-logG0= -0.002763 tlogG= -0.050058 logG= -0.052822 Density= 0.287989 ETOT(band)= -0.205532 trlgG= -0.260154 logG= -0.052822 TDE= -0.402618 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.001008 tlogG= -0.014997 logG= -0.016005 Density= 0.097936 ETOT(band)= -0.065876 trlgG= -0.083194 logG= -0.016005 TDE= -0.133599 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000669 tlogG= -0.012596 logG= -0.013265 Density= 0.071843 ETOT(band)= -0.051615 trlgG= -0.065088 logG= -0.013265 TDE= -0.100539 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 25 logGD-logG0= -0.003647 tlogG= -0.041049 logG= -0.044696 Density= 0.315315 ETOT(band)= -0.181039 trlgG= -0.229472 logG= -0.044696 TDE= -0.398592 logGD-logG0= -0.000923 tlogG= -0.016541 logG= -0.017463 Density= 0.096057 ETOT(band)= -0.068375 trlgG= -0.086529 logG= -0.017463 TDE= -0.134201 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001484 tlogG= -0.023864 logG= -0.025348 Density= 0.146286 ETOT(band)= -0.100478 trlgG= -0.127069 logG= -0.025348 TDE= -0.200917 logGD-logG0= -0.003131 tlogG= -0.044360 logG= -0.047490 Density= 0.295082 ETOT(band)= -0.196450 trlgG= -0.247780 logG= -0.047490 TDE= -0.400385 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003202 tlogG= -0.044889 logG= -0.048090 logGD-logG0= -0.003515 tlogG= -0.041822 logG= -0.045336 Density= 0.317503 ETOT(band)= -0.180094 trlgG= -0.229102 logG= -0.045336 TDE= -0.399065 logGD-logG0= -0.001350 tlogG= -0.025241 logG= -0.026590 Density= 0.143780 ETOT(band)= -0.103187 trlgG= -0.130220 logG= -0.026590 TDE= -0.201127 Density= 0.308184 ETOT(band)= -0.188103 trlgG= -0.239699 logG= -0.048090 TDE= -0.400588 logGD-logG0= -0.003028 tlogG= -0.047348 logG= -0.050376 Density= 0.294678 ETOT(band)= -0.199257 trlgG= -0.252166 logG= -0.050376 TDE= -0.401612 logGD-logG0= -0.002913 tlogG= -0.048004 logG= -0.050917 Density= 0.291860 ETOT(band)= -0.201546 trlgG= -0.254955 logG= -0.050917 TDE= -0.401948 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003110 tlogG= -0.046870 logG= -0.049981 Density= 0.307409 ETOT(band)= -0.190322 trlgG= -0.242991 logG= -0.049981 TDE= -0.401464 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002714 tlogG= -0.050456 logG= -0.053170 Density= 0.287672 ETOT(band)= -0.206243 trlgG= -0.260528 logG= -0.053170 TDE= -0.402428 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002689 tlogG= -0.050479 logG= -0.053167 Density= 0.287476 ETOT(band)= -0.206446 trlgG= -0.260422 logG= -0.053167 TDE= -0.402192 logGD-logG0= -0.006142 tlogG= -0.092698 logG= -0.098840 logGD-logG0= -0.002898 tlogG= -0.047030 logG= -0.049928 Density= 0.289388 ETOT(band)= -0.202014 trlgG= -0.255462 logG= -0.049928 TDE= -0.401768 Density= 0.590927 ETOT(band)= -0.395742 trlgG= -0.500541 logG= -0.098840 TDE= -0.802409 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000683 tlogG= -0.012646 logG= -0.013329 Density= 0.071938 ETOT(band)= -0.051549 trlgG= -0.065207 logG= -0.013329 TDE= -0.100659 logGD-logG0= -0.002856 tlogG= -0.047946 logG= -0.050801 Density= 0.288760 ETOT(band)= -0.203191 trlgG= -0.256976 logG= -0.050801 TDE= -0.401983 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002703 tlogG= -0.050541 logG= -0.053244 Density= 0.287580 ETOT(band)= -0.206395 trlgG= -0.260586 logG= -0.053244 TDE= -0.402349 logGD-logG0= -0.002730 tlogG= -0.050238 logG= -0.052968 Density= 0.287824 ETOT(band)= -0.205931 trlgG= -0.260325 logG= -0.052968 TDE= -0.402530 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002794 tlogG= -0.049169 logG= -0.051963 Density= 0.288375 ETOT(band)= -0.204571 trlgG= -0.258946 logG= -0.051963 TDE= -0.402531 logGD-logG0= -0.006030 tlogG= -0.090567 logG= -0.096597 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.586506 ETOT(band)= -0.396497 trlgG= -0.500674 logG= -0.096597 TDE= -0.801787 logGD-logG0= -0.002733 tlogG= -0.050385 logG= -0.053117 Density= 0.287795 ETOT(band)= -0.206054 trlgG= -0.260561 logG= -0.053117 TDE= -0.402598 logGD-logG0= -0.002824 tlogG= -0.048567 logG= -0.051391 Density= 0.288633 ETOT(band)= -0.203862 trlgG= -0.258035 logG= -0.051391 TDE= -0.402366 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002898 tlogG= -0.047164 logG= -0.050062 22) Finished k-point 45 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 Density= 0.289719 ETOT(band)= -0.201953 trlgG= -0.255392 logG= -0.050062 TDE= -0.401788 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002843 tlogG= -0.048235 logG= -0.051078 Density= 0.288699 ETOT(band)= -0.203498 trlgG= -0.257470 logG= -0.051078 TDE= -0.402159 logGD-logG0= -0.002842 tlogG= -0.048626 logG= -0.051468 Density= 0.288927 ETOT(band)= -0.203747 trlgG= -0.257859 logG= -0.051468 TDE= -0.402312 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005609 tlogG= -0.098421 logG= -0.104029 Density= 0.576581 ETOT(band)= -0.409173 trlgG= -0.517834 logG= -0.104029 TDE= -0.804784 logGD-logG0= -0.002720 tlogG= -0.050557 logG= -0.053276 Density= 0.287691 ETOT(band)= -0.206280 trlgG= -0.260730 logG= -0.053276 TDE= -0.402537 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005899 tlogG= -0.094183 logG= -0.100083 Density= 0.584632 ETOT(band)= -0.400932 trlgG= -0.506836 logG= -0.100083 TDE= -0.803193 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005685 tlogG= -0.097032 logG= -0.102717 Density= 0.577577 ETOT(band)= -0.407389 trlgG= -0.515406 logG= -0.102717 TDE= -0.804344 logGD-logG0= -0.005768 tlogG= -0.094746 logG= -0.100514 Density= 0.578388 ETOT(band)= -0.404873 trlgG= -0.511969 logG= -0.100514 TDE= -0.803661 logGD-logG0= -0.005659 tlogG= -0.097569 logG= -0.103228 Density= 0.577185 ETOT(band)= -0.408129 trlgG= -0.516497 logG= -0.103228 TDE= -0.804658 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005587 tlogG= -0.098604 logG= -0.104191 logGD-logG0= -0.005801 tlogG= -0.094040 logG= -0.099841 Density= 0.578884 ETOT(band)= -0.403941 trlgG= -0.510531 logG= -0.099841 TDE= -0.803231 Density= 0.576604 ETOT(band)= -0.409436 trlgG= -0.518271 logG= -0.104191 TDE= -0.805076 logGD-logG0= -0.005651 tlogG= -0.097381 logG= -0.103032 Density= 0.577146 ETOT(band)= -0.408011 trlgG= -0.516404 logG= -0.103032 TDE= -0.804734 logGD-logG0= -0.006126 tlogG= -0.089568 logG= -0.095694 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.588592 ETOT(band)= -0.394461 trlgG= -0.497737 logG= -0.095694 TDE= -0.801167 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.006420 tlogG= -0.087589 logG= -0.094009 Density= 0.600436 ETOT(band)= -0.385215 trlgG= -0.486925 logG= -0.094009 TDE= -0.800072 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002786 tlogG= -0.049535 logG= -0.052321 Density= 0.288184 ETOT(band)= -0.204957 trlgG= -0.259429 logG= -0.052321 TDE= -0.402526 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002794 tlogG= -0.049348 logG= -0.052143 Density= 0.288226 ETOT(band)= -0.204737 trlgG= -0.259116 logG= -0.052143 TDE= -0.402420 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005589 tlogG= -0.098827 logG= -0.104416 Density= 0.576478 ETOT(band)= -0.409645 trlgG= -0.518514 logG= -0.104416 TDE= -0.805008 logGD-logG0= -0.002736 tlogG= -0.050230 logG= -0.052966 Density= 0.287849 ETOT(band)= -0.205899 trlgG= -0.260355 logG= -0.052966 TDE= -0.402580 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002771 tlogG= -0.049915 logG= -0.052686 Density= 0.288031 ETOT(band)= -0.205342 trlgG= -0.259913 logG= -0.052686 TDE= -0.402541 logGD-logG0= -0.002782 tlogG= -0.049617 logG= -0.052399 Density= 0.288185 ETOT(band)= -0.205097 trlgG= -0.259610 logG= -0.052399 TDE= -0.402629 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002877 tlogG= -0.048328 logG= -0.051205 Density= 0.290702 ETOT(band)= -0.202474 trlgG= -0.256217 logG= -0.051205 TDE= -0.402137 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003008 tlogG= -0.046778 logG= -0.049786 Density= 0.292962 ETOT(band)= -0.199880 trlgG= -0.252591 logG= -0.049786 TDE= -0.401463 20) Finished k-point 41 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002750 tlogG= -0.050048 logG= -0.052798 Density= 0.287966 ETOT(band)= -0.205634 trlgG= -0.260156 logG= -0.052798 TDE= -0.402628 logGD-logG0= -0.005821 tlogG= -0.094921 logG= -0.100743 Density= 0.582526 ETOT(band)= -0.402739 trlgG= -0.509367 logG= -0.100743 TDE= -0.803636 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000688 tlogG= -0.012594 logG= -0.013282 Density= 0.359878 ETOT(band)= -0.257156 trlgG= -0.325487 logG= -0.013282 TDE= -0.100648 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000686 tlogG= -0.012619 logG= -0.013305 Density= 0.359827 ETOT(band)= -0.257363 trlgG= -0.325715 logG= -0.013305 TDE= -0.100659 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000111 tlogG= -0.002098 logG= -0.002209 Density= 0.083815 ETOT(band)= -0.060218 trlgG= -0.075935 logG= -0.002209 TDE= -0.016756 logGD-logG0= -0.002735 tlogG= -0.050494 logG= -0.053229 logGD-logG0= -0.002751 tlogG= -0.050116 logG= -0.052868 Density= 0.863947 ETOT(band)= -0.616846 trlgG= -0.780499 logG= -0.052868 TDE= -0.402663 Density= 0.575629 ETOT(band)= -0.412079 trlgG= -0.521327 logG= -0.053229 TDE= -0.402642 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002702 tlogG= -0.050453 logG= -0.053155 Density= 0.383491 ETOT(band)= -0.275042 trlgG= -0.347202 logG= -0.053155 TDE= -0.402267 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002753 tlogG= -0.050253 logG= -0.053006 Density= 0.575903 ETOT(band)= -0.411274 trlgG= -0.520554 logG= -0.053006 TDE= -0.402628 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003796 tlogG= -0.040431 logG= -0.044227 Density= 0.430276 ETOT(band)= -0.234111 trlgG= -0.298009 logG= -0.044227 TDE= -0.398298 logGD-logG0= -0.002749 tlogG= -0.050245 logG= -0.052994 Density= 0.863816 ETOT(band)= -0.617148 trlgG= -0.780982 logG= -0.052994 TDE= -0.402665 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001417 tlogG= -0.024414 logG= -0.025831 Density= 0.433344 ETOT(band)= -0.305738 trlgG= -0.386948 logG= -0.025831 TDE= -0.201188 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003300 tlogG= -0.042968 logG= -0.046268 Density= 0.403214 ETOT(band)= -0.254449 trlgG= -0.320622 logG= -0.046268 TDE= -0.399679 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000675 tlogG= -0.012642 logG= -0.013317 Density= 0.359466 ETOT(band)= -0.258006 trlgG= -0.325738 logG= -0.013317 TDE= -0.100582 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003133 tlogG= -0.044043 logG= -0.047177 Density= 0.444688 ETOT(band)= -0.294690 trlgG= -0.372177 logG= -0.047177 TDE= -0.400278 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002823 tlogG= -0.048977 logG= -0.051800 Density= 0.865706 ETOT(band)= -0.612410 trlgG= -0.775037 logG= -0.051800 TDE= -0.402387 logGD-logG0= -0.000679 tlogG= -0.012653 logG= -0.013332 Density= 0.359604 ETOT(band)= -0.257869 trlgG= -0.325928 logG= -0.013332 TDE= -0.100631 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000953 tlogG= -0.015936 logG= -0.016889 Density= 0.168264 ETOT(band)= -0.119204 trlgG= -0.150812 logG= -0.016889 TDE= -0.134034 logGD-logG0= -0.002948 tlogG= -0.046096 logG= -0.049044 Density= 0.388544 ETOT(band)= -0.266340 trlgG= -0.336513 logG= -0.049044 TDE= -0.401337 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002748 tlogG= -0.049990 logG= -0.052738 Density= 0.384037 ETOT(band)= -0.273964 trlgG= -0.346594 logG= -0.052738 TDE= -0.402607 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002835 tlogG= -0.048719 logG= -0.051554 Density= 0.866290 ETOT(band)= -0.611308 trlgG= -0.773420 logG= -0.051554 TDE= -0.402236 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.003211 tlogG= -0.043463 logG= -0.046674 logGD-logG0= -0.002821 tlogG= -0.048683 logG= -0.051504 Density= 0.576875 ETOT(band)= -0.408778 trlgG= -0.517425 logG= -0.051504 TDE= -0.402376 Density= 0.594858 ETOT(band)= -0.391966 trlgG= -0.495209 logG= -0.046674 TDE= -0.399921 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.005436 tlogG= -0.100804 logG= -0.106241 Density= 0.863249 ETOT(band)= -0.618260 trlgG= -0.781287 logG= -0.106241 TDE= -0.804918 logGD-logG0= -0.001388 tlogG= -0.024882 logG= -0.026270 Density= 0.432247 ETOT(band)= -0.307731 trlgG= -0.389518 logG= -0.026270 TDE= -0.201327 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002798 tlogG= -0.049383 logG= -0.052180 Density= 0.864813 ETOT(band)= -0.613945 trlgG= -0.776998 logG= -0.052180 TDE= -0.402434 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002769 tlogG= -0.049801 logG= -0.052570 Density= 0.576174 ETOT(band)= -0.410646 trlgG= -0.519767 logG= -0.052570 TDE= -0.402622 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002789 tlogG= -0.049578 logG= -0.052366 Density= 0.864660 ETOT(band)= -0.614648 trlgG= -0.778009 logG= -0.052366 TDE= -0.402545 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.003057 tlogG= -0.045688 logG= -0.048746 Density= 0.588566 ETOT(band)= -0.395042 trlgG= -0.498510 logG= -0.048746 TDE= -0.400996 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002955 tlogG= -0.045923 logG= -0.048878 Density= 0.582510 ETOT(band)= -0.401829 trlgG= -0.507886 logG= -0.048878 TDE= -0.401144 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003145 tlogG= -0.046092 logG= -0.049237 Density= 0.615863 ETOT(band)= -0.377577 trlgG= -0.481428 logG= -0.049237 TDE= -0.401129 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002761 tlogG= -0.050131 logG= -0.052892 Density= 0.575986 ETOT(band)= -0.410912 trlgG= -0.520112 logG= -0.052892 TDE= -0.402569 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001549 tlogG= -0.023569 logG= -0.025118 Density= 0.461069 ETOT(band)= -0.285626 trlgG= -0.364699 logG= -0.025118 TDE= -0.200787 logGD-logG0= -0.006077 tlogG= -0.094180 logG= -0.100256 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 1.180628 ETOT(band)= -0.793581 trlgG= -1.003937 logG= -0.100256 TDE= -0.803016 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006818 tlogG= -0.084630 logG= -0.091448 Density= 0.927144 ETOT(band)= -0.557411 trlgG= -0.704600 logG= -0.091448 TDE= -0.798561 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.003287 tlogG= -0.043398 logG= -0.046685 Density= 0.627586 ETOT(band)= -0.365742 trlgG= -0.465392 logG= -0.046685 TDE= -0.399873 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005646 tlogG= -0.097415 logG= -0.103061 Density= 0.865683 ETOT(band)= -0.611273 trlgG= -0.773305 logG= -0.103061 TDE= -0.804480 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005541 tlogG= -0.099336 logG= -0.104878 Density= 0.864676 ETOT(band)= -0.614909 trlgG= -0.778273 logG= -0.104878 TDE= -0.805238 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001340 tlogG= -0.025208 logG= -0.026548 Density= 0.239509 ETOT(band)= -0.172048 trlgG= -0.216983 logG= -0.026548 TDE= -0.201085 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002863 tlogG= -0.048046 logG= -0.050909 Density= 0.578931 ETOT(band)= -0.405006 trlgG= -0.512302 logG= -0.050909 TDE= -0.402117 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002797 tlogG= -0.049200 logG= -0.051998 logGD-logG0= -0.001366 tlogG= -0.025158 logG= -0.026524 Density= 0.431750 ETOT(band)= -0.308905 trlgG= -0.390584 logG= -0.026524 TDE= -0.201284 Density= 0.576993 ETOT(band)= -0.408469 trlgG= -0.517034 logG= -0.051998 TDE= -0.402539 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005625 tlogG= -0.097892 logG= -0.103518 Density= 0.865522 ETOT(band)= -0.612106 trlgG= -0.774608 logG= -0.103518 TDE= -0.804764 logGD-logG0= -0.005712 tlogG= -0.095874 logG= -0.101586 Density= 0.867182 ETOT(band)= -0.608269 trlgG= -0.769484 logG= -0.101586 TDE= -0.804238 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005699 tlogG= -0.096446 logG= -0.102145 Density= 1.156008 ETOT(band)= -0.811734 trlgG= -1.026713 logG= -0.102145 TDE= -0.804283 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005845 tlogG= -0.095540 logG= -0.101385 Density= 1.168579 ETOT(band)= -0.803476 trlgG= -1.015970 logG= -0.101385 TDE= -0.803724 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005556 tlogG= -0.099424 logG= -0.104979 Density= 1.152878 ETOT(band)= -0.819813 trlgG= -1.037724 logG= -0.104979 TDE= -0.805244 38) Finished k-point 78 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005728 tlogG= -0.095848 logG= -0.101577 logGD-logG0= -0.005907 tlogG= -0.092961 logG= -0.098868 Density= 1.170431 ETOT(band)= -0.796658 trlgG= -1.006437 logG= -0.098868 TDE= -0.802855 Density= 1.156924 ETOT(band)= -0.810000 trlgG= -1.024069 logG= -0.101577 TDE= -0.803931 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005991 tlogG= -0.092105 logG= -0.098096 Density= 1.174379 ETOT(band)= -0.792852 trlgG= -1.000934 logG= -0.098096 TDE= -0.802324 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005538 tlogG= -0.099845 logG= -0.105383 Density= 0.864260 ETOT(band)= -0.615723 trlgG= -0.779364 logG= -0.105383 TDE= -0.805190 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005615 tlogG= -0.098381 logG= -0.103996 Density= 1.153901 ETOT(band)= -0.817168 trlgG= -1.034327 logG= -0.103996 TDE= -0.805024 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002978 tlogG= -0.047485 logG= -0.050464 Density= 0.585632 ETOT(band)= -0.400564 trlgG= -0.506341 logG= -0.050464 TDE= -0.401745 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006250 tlogG= -0.090404 logG= -0.096654 Density= 1.193953 ETOT(band)= -0.777248 trlgG= -0.982513 logG= -0.096654 TDE= -0.801398 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005554 tlogG= -0.099536 logG= -0.105090 Density= 0.864385 ETOT(band)= -0.615111 trlgG= -0.778537 logG= -0.105090 TDE= -0.805024 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002933 tlogG= -0.046347 logG= -0.049280 Density= 0.580755 ETOT(band)= -0.403483 trlgG= -0.510216 logG= -0.049280 TDE= -0.401404 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000671 tlogG= -0.012619 logG= -0.013290 Density= 0.359337 ETOT(band)= -0.258063 trlgG= -0.325532 logG= -0.013290 TDE= -0.100549 57) Finished k-point 116 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005771 tlogG= -0.096208 logG= -0.101979 Density= 1.164212 ETOT(band)= -0.807122 trlgG= -1.021020 logG= -0.101979 TDE= -0.804115 logGD-logG0= -0.002692 tlogG= -0.050476 logG= -0.053169 Density= 0.431288 ETOT(band)= -0.309603 trlgG= -0.390619 logG= -0.053169 TDE= -0.402190 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005474 tlogG= -0.100596 logG= -0.106070 Density= 0.863646 ETOT(band)= -0.617525 trlgG= -0.781078 logG= -0.106070 TDE= -0.805220 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002707 tlogG= -0.050507 logG= -0.053213 Density= 0.575288 ETOT(band)= -0.412579 trlgG= -0.521077 logG= -0.053213 TDE= -0.402368 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002724 tlogG= -0.050489 logG= -0.053213 Density= 0.575525 ETOT(band)= -0.412247 trlgG= -0.521218 logG= -0.053213 TDE= -0.402553 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Sum of eigenvalues= -386.005219760356 eV TrLogG= -488.164286563755 eV Ratio to renormalize= 1.000400268458 rho-rho_expected=-0.016404440578 nargs= 1 argi=dmft2.def 23) Finished k-point number 47 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 6) Finished k-point number 13 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 44) Finished k-point number 89 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 8) Finished k-point number 18 2 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 24) Finished k-point number 50 2 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 32) Finished k-point number 65 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 11) Finished k-point number 24 2 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 54) Finished k-point number 110 2 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 32) Finished k-point number 66 2 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 1) Finished k-point number 4 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 38) Finished k-point number 78 2 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 43) Finished k-point number 87 1 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 39) Finished k-point number 80 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 16) Finished k-point number 34 2 with #bands= 19 29) Finished k-point number 59 1 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 26) Finished k-point number 53 1 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 46) Finished k-point number 93 1 with #bands= 19 21) Finished k-point number 43 1 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 13) Finished k-point number 27 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 12) Finished k-point number 26 2 with #bands= 19 34) Finished k-point number 69 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 48) Finished k-point number 98 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 35) Finished k-point number 72 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 2) Finished k-point number 5 1 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 28) Finished k-point number 58 2 with #bands= 19 40) Finished k-point number 82 2 with #bands= 19 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.864115807017343 0.871249674782829 0.849447836827547 4) Finished k-point number 9 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 18) Finished k-point number 37 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 32) Finished k-point number 65 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 46) Finished k-point number 93 1 with #bands= 19 50) Finished k-point number 101 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 30) Finished k-point number 61 1 with #bands= 19 17) Finished k-point number 35 1 with #bands= 19 1) Finished k-point number 3 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 7) Finished k-point number 15 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 2) Finished k-point number 5 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 21) Finished k-point number 43 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 19 3) Finished k-point number 8 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 7) Finished k-point number 16 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 1) Finished k-point number 4 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 18) Finished k-point number 38 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 6) Finished k-point number 14 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 9) Finished k-point number 20 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 19 41) Finished k-point number 84 2 with #bands= 19 37) Finished k-point number 76 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 26) Finished k-point number 54 2 with #bands= 19 57) Finished k-point number 116 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 24) Finished k-point number 50 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 56) Finished k-point number 114 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 21) Finished k-point number 44 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 9.22602369000440 Density= 40.9729396825909 41.0000000000000 EF 9.49813752211799 Density= 41.3826453406580 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.69810029 0.67810029 0.382645 -0.270603E-01 1 0.68810029 0.67810031 0.216078 -0.270603E-01 2 0.68310030 0.67810054 0.106223 -0.270603E-01 3 0.68060042 0.67810019 0.245525E-01 -0.270603E-01 4 0.67949992 0.68060042 -0.329682E-02 0.245525E-01 5 0.67963020 0.68060042 -0.707398E-03 0.245525E-01 6 0.67966479 0.68060042 -0.142836E-04 0.245525E-01 7 0.67966550 0.67966479 0.152738E-05 -0.142836E-04 8 0.67966543 0.67966550 -0.617675E-10 0.152738E-05 Absolute convergence of |F(X)|. Difference in EF= 0.0212947759 EF set to : 9.2473184659 new EF (no-mixing): 9.2473184659 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.000894 tlogG= -0.016856 logG= -0.017750 Density= 0.095812 ETOT(band)= -0.068764 trlgG= -0.086783 logG= -0.017750 TDE= -0.134153 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000682 tlogG= -0.012680 logG= -0.013363 logGD-logG0= -0.002739 tlogG= -0.050539 logG= -0.053278 Density= 0.287842 ETOT(band)= -0.205826 trlgG= -0.260591 logG= -0.053278 TDE= -0.402949 Density= 0.071940 ETOT(band)= -0.051510 trlgG= -0.065202 logG= -0.013363 TDE= -0.100734 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001323 tlogG= -0.013313 logG= -0.014636 Density= 0.111283 ETOT(band)= -0.055847 trlgG= -0.071772 logG= -0.014636 TDE= -0.132772 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002770 tlogG= -0.050054 logG= -0.052825 Density= 0.288037 ETOT(band)= -0.205185 trlgG= -0.259898 logG= -0.052825 TDE= -0.402842 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002800 tlogG= -0.049505 logG= -0.052305 logGD-logG0= -0.001173 tlogG= -0.013968 logG= -0.015141 Density= 0.288318 ETOT(band)= -0.204618 trlgG= -0.259202 logG= -0.052305 TDE= -0.402857 Density= 0.101243 ETOT(band)= -0.063076 trlgG= -0.079435 logG= -0.015141 TDE= -0.133105 logGD-logG0= -0.002754 tlogG= -0.050395 logG= -0.053150 Density= 0.287917 ETOT(band)= -0.205542 trlgG= -0.260343 logG= -0.053150 TDE= -0.402880 37) Finished k-point 75 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002763 tlogG= -0.050197 logG= -0.052960 Density= 0.287996 ETOT(band)= -0.205374 trlgG= -0.260137 logG= -0.052960 TDE= -0.402918 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.005506 tlogG= -0.100535 logG= -0.106041 Density= 0.575921 ETOT(band)= -0.411025 trlgG= -0.520517 logG= -0.106041 TDE= -0.805910 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.000669 tlogG= -0.012630 logG= -0.013299 Density= 0.071844 ETOT(band)= -0.051575 trlgG= -0.065081 logG= -0.013299 TDE= -0.100611 logGD-logG0= -0.001007 tlogG= -0.015045 logG= -0.016053 logGD-logG0= -0.000904 tlogG= -0.016838 logG= -0.017742 Density= 0.095899 ETOT(band)= -0.068670 trlgG= -0.086791 logG= -0.017742 TDE= -0.134229 Density= 0.097946 ETOT(band)= -0.065818 trlgG= -0.083183 logG= -0.016053 TDE= -0.133700 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 25 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005510 tlogG= -0.100272 logG= -0.105782 Density= 0.576011 ETOT(band)= -0.410818 trlgG= -0.520189 logG= -0.105782 TDE= -0.805901 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.000923 tlogG= -0.016587 logG= -0.017509 Density= 0.096058 ETOT(band)= -0.068322 trlgG= -0.086523 logG= -0.017509 TDE= -0.134301 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003647 tlogG= -0.041198 logG= -0.044845 Density= 0.315192 ETOT(band)= -0.180936 trlgG= -0.229518 logG= -0.044845 TDE= -0.398898 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.003026 tlogG= -0.047491 logG= -0.050518 Density= 0.294595 ETOT(band)= -0.199153 trlgG= -0.252207 logG= -0.050518 TDE= -0.401915 logGD-logG0= -0.002719 tlogG= -0.050694 logG= -0.053413 Density= 0.287696 ETOT(band)= -0.206121 trlgG= -0.260710 logG= -0.053413 TDE= -0.402834 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003130 tlogG= -0.044505 logG= -0.047635 Density= 0.295098 ETOT(band)= -0.196282 trlgG= -0.247757 logG= -0.047635 TDE= -0.400689 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003007 tlogG= -0.046921 logG= -0.049928 Density= 0.292966 ETOT(band)= -0.199719 trlgG= -0.252575 logG= -0.049928 TDE= -0.401766 logGD-logG0= -0.003200 tlogG= -0.045033 logG= -0.048234 Density= 0.308190 ETOT(band)= -0.187918 trlgG= -0.239660 logG= -0.048234 TDE= -0.400892 20) Finished k-point 41 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002771 tlogG= -0.049995 logG= -0.052766 Density= 0.288087 ETOT(band)= -0.205195 trlgG= -0.259912 logG= -0.052766 TDE= -0.402950 logGD-logG0= -0.003109 tlogG= -0.047014 logG= -0.050122 Density= 0.307413 ETOT(band)= -0.190138 trlgG= -0.242951 logG= -0.050122 TDE= -0.401767 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002897 tlogG= -0.047172 logG= -0.050069 Density= 0.289395 ETOT(band)= -0.201857 trlgG= -0.255446 logG= -0.050069 TDE= -0.402069 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002912 tlogG= -0.048146 logG= -0.051058 logGD-logG0= -0.002735 tlogG= -0.050368 logG= -0.053103 Density= 0.287855 ETOT(band)= -0.205740 trlgG= -0.260336 logG= -0.053103 TDE= -0.402878 Density= 0.291864 ETOT(band)= -0.201386 trlgG= -0.254939 logG= -0.051058 TDE= -0.402250 logGD-logG0= -0.006139 tlogG= -0.092986 logG= -0.099126 Density= 0.590732 ETOT(band)= -0.395553 trlgG= -0.500643 logG= -0.099126 TDE= -0.803017 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005897 tlogG= -0.094470 logG= -0.100367 Density= 0.584643 ETOT(band)= -0.400611 trlgG= -0.506804 logG= -0.100367 TDE= -0.803799 logGD-logG0= -0.002855 tlogG= -0.048087 logG= -0.050942 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.288767 ETOT(band)= -0.203034 trlgG= -0.256962 logG= -0.050942 TDE= -0.402285 logGD-logG0= -0.003514 tlogG= -0.041970 logG= -0.045484 Density= 0.317509 ETOT(band)= -0.179901 trlgG= -0.229055 logG= -0.045484 TDE= -0.399370 logGD-logG0= -0.002793 tlogG= -0.049308 logG= -0.052101 Density= 0.288381 ETOT(band)= -0.204413 trlgG= -0.258929 logG= -0.052101 TDE= -0.402830 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002876 tlogG= -0.048470 logG= -0.051346 Density= 0.290708 ETOT(band)= -0.202314 trlgG= -0.256200 logG= -0.051346 TDE= -0.402438 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002823 tlogG= -0.048707 logG= -0.051530 Density= 0.288639 ETOT(band)= -0.203704 trlgG= -0.258018 logG= -0.051530 TDE= -0.402666 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002702 tlogG= -0.050678 logG= -0.053380 Density= 0.287585 ETOT(band)= -0.206235 trlgG= -0.260563 logG= -0.053380 TDE= -0.402644 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006028 tlogG= -0.090855 logG= -0.096884 Density= 0.586533 ETOT(band)= -0.396167 trlgG= -0.500631 logG= -0.096884 TDE= -0.802393 logGD-logG0= -0.002794 tlogG= -0.049489 logG= -0.052282 Density= 0.288233 ETOT(band)= -0.204580 trlgG= -0.259101 logG= -0.052282 TDE= -0.402721 22) Finished k-point 45 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005766 tlogG= -0.095030 logG= -0.100796 Density= 0.578404 ETOT(band)= -0.404557 trlgG= -0.511939 logG= -0.100796 TDE= -0.804264 logGD-logG0= -0.005607 tlogG= -0.098702 logG= -0.104309 Density= 0.576594 ETOT(band)= -0.408858 trlgG= -0.517804 logG= -0.104309 TDE= -0.805386 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005683 tlogG= -0.097315 logG= -0.102998 Density= 0.577595 ETOT(band)= -0.407071 trlgG= -0.515375 logG= -0.102998 TDE= -0.804948 logGD-logG0= -0.002842 tlogG= -0.048376 logG= -0.051218 logGD-logG0= -0.002747 tlogG= -0.050507 logG= -0.053254 Density= 0.287876 ETOT(band)= -0.205710 trlgG= -0.260529 logG= -0.053254 TDE= -0.402934 Density= 0.288706 ETOT(band)= -0.203341 trlgG= -0.257455 logG= -0.051218 TDE= -0.402460 logGD-logG0= -0.001484 tlogG= -0.023935 logG= -0.025419 Density= 0.146288 ETOT(band)= -0.100398 trlgG= -0.127061 logG= -0.025419 TDE= -0.201069 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005799 tlogG= -0.094325 logG= -0.100125 Density= 0.578905 ETOT(band)= -0.403623 trlgG= -0.510499 logG= -0.100125 TDE= -0.803836 logGD-logG0= -0.006124 tlogG= -0.089859 logG= -0.095983 logGD-logG0= -0.005819 tlogG= -0.095206 logG= -0.101025 Density= 0.588622 ETOT(band)= -0.394128 trlgG= -0.497693 logG= -0.095983 TDE= -0.801776 Density= 0.582541 ETOT(band)= -0.402418 trlgG= -0.509332 logG= -0.101025 TDE= -0.804240 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002732 tlogG= -0.050522 logG= -0.053254 Density= 0.287800 ETOT(band)= -0.205895 trlgG= -0.260542 logG= -0.053254 TDE= -0.402896 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005649 tlogG= -0.097662 logG= -0.103311 Density= 0.577159 ETOT(band)= -0.407695 trlgG= -0.516371 logG= -0.103311 TDE= -0.805335 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002898 tlogG= -0.047306 logG= -0.050203 Density= 0.289729 ETOT(band)= -0.201794 trlgG= -0.255374 logG= -0.050203 TDE= -0.402090 logGD-logG0= -0.005587 tlogG= -0.099107 logG= -0.104694 Density= 0.576491 ETOT(band)= -0.409329 trlgG= -0.518482 logG= -0.104694 TDE= -0.805609 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002781 tlogG= -0.049756 logG= -0.052537 Density= 0.288191 ETOT(band)= -0.204938 trlgG= -0.259592 logG= -0.052537 TDE= -0.402928 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001349 tlogG= -0.025309 logG= -0.026658 Density= 0.143782 ETOT(band)= -0.103107 trlgG= -0.130208 logG= -0.026658 TDE= -0.201274 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005658 tlogG= -0.097850 logG= -0.103507 Density= 0.577200 ETOT(band)= -0.407812 trlgG= -0.516464 logG= -0.103507 TDE= -0.805260 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006418 tlogG= -0.087882 logG= -0.094300 Density= 0.600223 ETOT(band)= -0.385032 trlgG= -0.487032 logG= -0.094300 TDE= -0.800682 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002729 tlogG= -0.050376 logG= -0.053105 Density= 0.287829 ETOT(band)= -0.205772 trlgG= -0.260306 logG= -0.053105 TDE= -0.402828 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002688 tlogG= -0.050615 logG= -0.053303 Density= 0.287481 ETOT(band)= -0.206286 trlgG= -0.260394 logG= -0.053303 TDE= -0.402482 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002713 tlogG= -0.050593 logG= -0.053307 Density= 0.287677 ETOT(band)= -0.206084 trlgG= -0.260507 logG= -0.053307 TDE= -0.402725 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002785 tlogG= -0.049675 logG= -0.052460 Density= 0.288190 ETOT(band)= -0.204799 trlgG= -0.259413 logG= -0.052460 TDE= -0.402826 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002749 tlogG= -0.050186 logG= -0.052935 Density= 0.287972 ETOT(band)= -0.205476 trlgG= -0.260138 logG= -0.052935 TDE= -0.402927 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002841 tlogG= -0.048767 logG= -0.051608 Density= 0.288935 ETOT(band)= -0.203587 trlgG= -0.257841 logG= -0.051608 TDE= -0.402613 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005586 tlogG= -0.098883 logG= -0.104468 Density= 0.576616 ETOT(band)= -0.409119 trlgG= -0.518238 logG= -0.104468 TDE= -0.805675 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000111 tlogG= -0.002104 logG= -0.002215 Density= 0.083817 ETOT(band)= -0.060171 trlgG= -0.075926 logG= -0.002215 TDE= -0.016768 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.001339 tlogG= -0.025276 logG= -0.026616 Density= 0.239514 ETOT(band)= -0.171915 trlgG= -0.216959 logG= -0.026616 TDE= -0.201229 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000953 tlogG= -0.015983 logG= -0.016936 Density= 0.168267 ETOT(band)= -0.119112 trlgG= -0.150802 logG= -0.016936 TDE= -0.134134 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000687 tlogG= -0.012629 logG= -0.013316 Density= 0.359886 ETOT(band)= -0.256959 trlgG= -0.325467 logG= -0.013316 TDE= -0.100723 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000679 tlogG= -0.012687 logG= -0.013366 Density= 0.359611 ETOT(band)= -0.257670 trlgG= -0.325903 logG= -0.013366 TDE= -0.100705 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002760 tlogG= -0.050271 logG= -0.053031 Density= 0.575998 ETOT(band)= -0.410596 trlgG= -0.520081 logG= -0.053031 TDE= -0.402870 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002752 tlogG= -0.050391 logG= -0.053144 Density= 0.575915 ETOT(band)= -0.410958 trlgG= -0.520520 logG= -0.053144 TDE= -0.402928 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002750 tlogG= -0.050255 logG= -0.053005 Density= 0.863964 ETOT(band)= -0.616369 trlgG= -0.780444 logG= -0.053005 TDE= -0.402962 logGD-logG0= -0.002734 tlogG= -0.050632 logG= -0.053366 Density= 0.575640 ETOT(band)= -0.411762 trlgG= -0.521291 logG= -0.053366 TDE= -0.402940 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002748 tlogG= -0.050383 logG= -0.053132 Density= 0.863834 ETOT(band)= -0.616672 trlgG= -0.780929 logG= -0.053132 TDE= -0.402964 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003795 tlogG= -0.040582 logG= -0.044376 Density= 0.430278 ETOT(band)= -0.233848 trlgG= -0.297943 logG= -0.044376 TDE= -0.398605 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003300 tlogG= -0.043115 logG= -0.046415 Density= 0.403223 ETOT(band)= -0.254222 trlgG= -0.320589 logG= -0.046415 TDE= -0.399985 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002834 tlogG= -0.048860 logG= -0.051695 Density= 0.866316 ETOT(band)= -0.610831 trlgG= -0.773373 logG= -0.051695 TDE= -0.402538 logGD-logG0= -0.002702 tlogG= -0.050590 logG= -0.053291 Density= 0.383498 ETOT(band)= -0.274829 trlgG= -0.347174 logG= -0.053291 TDE= -0.402563 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002948 tlogG= -0.046239 logG= -0.049186 Density= 0.388566 ETOT(band)= -0.266121 trlgG= -0.336484 logG= -0.049186 TDE= -0.401639 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000686 tlogG= -0.012654 logG= -0.013339 Density= 0.359834 ETOT(band)= -0.257166 trlgG= -0.325694 logG= -0.013339 TDE= -0.100733 logGD-logG0= -0.003211 tlogG= -0.043610 logG= -0.046821 Density= 0.594788 ETOT(band)= -0.391691 trlgG= -0.495223 logG= -0.046821 TDE= -0.400226 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.000675 tlogG= -0.012676 logG= -0.013351 Density= 0.359473 ETOT(band)= -0.257807 trlgG= -0.325710 logG= -0.013351 TDE= -0.100656 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002820 tlogG= -0.048824 logG= -0.051643 Density= 0.576887 ETOT(band)= -0.408461 trlgG= -0.517392 logG= -0.051643 TDE= -0.402676 logGD-logG0= -0.001387 tlogG= -0.024951 logG= -0.026338 logGD-logG0= -0.002797 tlogG= -0.049523 logG= -0.052320 Density= 0.864833 ETOT(band)= -0.613472 trlgG= -0.776953 logG= -0.052320 TDE= -0.402735 Density= 0.432257 ETOT(band)= -0.307493 trlgG= -0.389491 logG= -0.026338 TDE= -0.201476 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002748 tlogG= -0.050128 logG= -0.052876 Density= 0.384044 ETOT(band)= -0.273752 trlgG= -0.346569 logG= -0.052876 TDE= -0.402905 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002788 tlogG= -0.049717 logG= -0.052505 Density= 0.864679 ETOT(band)= -0.614174 trlgG= -0.777961 logG= -0.052505 TDE= -0.402845 logGD-logG0= -0.002977 tlogG= -0.047628 logG= -0.050605 Density= 0.585640 ETOT(band)= -0.400243 trlgG= -0.506308 logG= -0.050605 TDE= -0.402048 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003056 tlogG= -0.045833 logG= -0.048889 Density= 0.588587 ETOT(band)= -0.394713 trlgG= -0.498471 logG= -0.048889 TDE= -0.401300 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002822 tlogG= -0.049118 logG= -0.051940 Density= 0.865728 ETOT(band)= -0.611934 trlgG= -0.774989 logG= -0.051940 TDE= -0.402687 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.001548 tlogG= -0.023640 logG= -0.025189 Density= 0.461075 ETOT(band)= -0.285350 trlgG= -0.364639 logG= -0.025189 TDE= -0.200939 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003133 tlogG= -0.044189 logG= -0.047322 Density= 0.444715 ETOT(band)= -0.294433 trlgG= -0.372134 logG= -0.047322 TDE= -0.400582 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003143 tlogG= -0.046236 logG= -0.049379 Density= 0.615874 ETOT(band)= -0.377208 trlgG= -0.481349 logG= -0.049379 TDE= -0.401432 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006074 tlogG= -0.094467 logG= -0.100541 Density= 1.180259 ETOT(band)= -0.793188 trlgG= -1.004125 logG= -0.100541 TDE= -0.803623 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001366 tlogG= -0.025227 logG= -0.026592 Density= 0.431759 ETOT(band)= -0.308666 trlgG= -0.390555 logG= -0.026592 TDE= -0.201433 logGD-logG0= -0.000671 tlogG= -0.012653 logG= -0.013324 Density= 0.359344 ETOT(band)= -0.257863 trlgG= -0.325497 logG= -0.013324 TDE= -0.100622 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 57) Finished k-point 116 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001417 tlogG= -0.024484 logG= -0.025901 Density= 0.433357 ETOT(band)= -0.305499 trlgG= -0.386922 logG= -0.025901 TDE= -0.201338 logGD-logG0= -0.002691 tlogG= -0.050613 logG= -0.053305 Density= 0.431296 ETOT(band)= -0.309364 trlgG= -0.390581 logG= -0.053305 TDE= -0.402481 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006816 tlogG= -0.084927 logG= -0.091743 Density= 0.926854 ETOT(band)= -0.557083 trlgG= -0.704710 logG= -0.091743 TDE= -0.799174 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.005843 tlogG= -0.095825 logG= -0.101668 Density= 1.168598 ETOT(band)= -0.802835 trlgG= -1.015907 logG= -0.101668 TDE= -0.804329 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002769 tlogG= -0.049940 logG= -0.052708 Density= 0.576186 ETOT(band)= -0.410329 trlgG= -0.519731 logG= -0.052708 TDE= -0.402922 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002932 tlogG= -0.046490 logG= -0.049422 Density= 0.580773 ETOT(band)= -0.403162 trlgG= -0.510181 logG= -0.049422 TDE= -0.401706 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005645 tlogG= -0.097697 logG= -0.103341 Density= 0.865704 ETOT(band)= -0.610801 trlgG= -0.773262 logG= -0.103341 TDE= -0.805083 logGD-logG0= -0.002723 tlogG= -0.050627 logG= -0.053350 Density= 0.575536 ETOT(band)= -0.411929 trlgG= -0.521179 logG= -0.053350 TDE= -0.402851 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005435 tlogG= -0.101079 logG= -0.106514 Density= 0.863265 ETOT(band)= -0.617783 trlgG= -0.781229 logG= -0.106514 TDE= -0.805513 logGD-logG0= -0.005540 tlogG= -0.099614 logG= -0.105153 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.864692 ETOT(band)= -0.614434 trlgG= -0.778220 logG= -0.105153 TDE= -0.805836 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005552 tlogG= -0.099816 logG= -0.105368 Density= 0.864405 ETOT(band)= -0.614639 trlgG= -0.778491 logG= -0.105368 TDE= -0.805626 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002797 tlogG= -0.049340 logG= -0.052136 Density= 0.577005 ETOT(band)= -0.408153 trlgG= -0.517001 logG= -0.052136 TDE= -0.402839 logGD-logG0= -0.003286 tlogG= -0.043544 logG= -0.046830 Density= 0.627618 ETOT(band)= -0.365352 trlgG= -0.465292 logG= -0.046830 TDE= -0.400178 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002955 tlogG= -0.046067 logG= -0.049021 Density= 0.582531 ETOT(band)= -0.401505 trlgG= -0.507850 logG= -0.049021 TDE= -0.401447 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005698 tlogG= -0.096728 logG= -0.102426 Density= 1.156039 ETOT(band)= -0.811100 trlgG= -1.026651 logG= -0.102426 TDE= -0.804885 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005710 tlogG= -0.096156 logG= -0.101866 Density= 0.867201 ETOT(band)= -0.607796 trlgG= -0.769438 logG= -0.101866 TDE= -0.804840 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005769 tlogG= -0.096491 logG= -0.102260 Density= 1.164240 ETOT(band)= -0.806480 trlgG= -1.020950 logG= -0.102260 TDE= -0.804718 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005623 tlogG= -0.098173 logG= -0.103797 Density= 0.865542 ETOT(band)= -0.611633 trlgG= -0.774561 logG= -0.103797 TDE= -0.805365 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005727 tlogG= -0.096132 logG= -0.101859 Density= 1.156964 ETOT(band)= -0.809364 trlgG= -1.024006 logG= -0.101859 TDE= -0.804535 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002862 tlogG= -0.048187 logG= -0.051049 Density= 0.578949 ETOT(band)= -0.404687 trlgG= -0.512268 logG= -0.051049 TDE= -0.402418 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005989 tlogG= -0.092393 logG= -0.098382 Density= 1.174421 ETOT(band)= -0.792198 trlgG= -1.000858 logG= -0.098382 TDE= -0.802931 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002706 tlogG= -0.050644 logG= -0.053350 Density= 0.575298 ETOT(band)= -0.412260 trlgG= -0.521035 logG= -0.053350 TDE= -0.402664 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005613 tlogG= -0.098660 logG= -0.104274 Density= 1.153927 ETOT(band)= -0.816534 trlgG= -1.034260 logG= -0.104274 TDE= -0.805624 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005905 tlogG= -0.093247 logG= -0.099152 Density= 1.170476 ETOT(band)= -0.796005 trlgG= -1.006358 logG= -0.099152 TDE= -0.803460 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.006247 tlogG= -0.090695 logG= -0.096942 Density= 1.193506 ETOT(band)= -0.776899 trlgG= -0.982746 logG= -0.096942 TDE= -0.802007 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005537 tlogG= -0.100123 logG= -0.105660 Density= 0.864278 ETOT(band)= -0.615249 trlgG= -0.779315 logG= -0.105660 TDE= -0.805790 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005473 tlogG= -0.100871 logG= -0.106344 Density= 0.863663 ETOT(band)= -0.617049 trlgG= -0.781022 logG= -0.106344 TDE= -0.805817 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005554 tlogG= -0.099702 logG= -0.105256 Density= 1.152902 ETOT(band)= -0.819180 trlgG= -1.037655 logG= -0.105256 TDE= -0.805844 38) Finished k-point 78 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Sum of eigenvalues= -385.707006875796 eV TrLogG= -488.135399659573 eV Ratio to renormalize= 1.000406815502 rho-rho_expected=-0.016672652908 nargs= 1 argi=dmft2.def 57) Finished k-point number 115 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 15) Finished k-point number 32 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 12) Finished k-point number 25 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 30) Finished k-point number 61 1 with #bands= 19 46) Finished k-point number 93 1 with #bands= 19 17) Finished k-point number 36 2 with #bands= 19 35) Finished k-point number 71 1 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 52) Finished k-point number 106 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 12) Finished k-point number 26 2 with #bands= 19 30) Finished k-point number 62 2 with #bands= 19 58) Finished k-point number 117 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 24) Finished k-point number 49 1 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 13) Finished k-point number 27 1 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 19 56) Finished k-point number 114 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 24) Finished k-point number 50 2 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 55) Finished k-point number 112 2 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 7) Finished k-point number 15 1 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 25) Finished k-point number 52 2 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 22) Finished k-point number 45 1 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 6) Finished k-point number 13 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 16) Finished k-point number 34 2 with #bands= 19 28) Finished k-point number 58 2 with #bands= 19 2) Finished k-point number 6 2 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 42) Finished k-point number 85 1 with #bands= 19 23) Finished k-point number 47 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 42) Finished k-point number 86 2 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 47) Finished k-point number 96 2 with #bands= 19 20) Finished k-point number 41 1 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 48) Finished k-point number 97 1 with #bands= 19 48) Finished k-point number 98 2 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.864806839823101 0.871913759028725 0.850197414319592 58) Finished k-point number 117 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 48) Finished k-point number 97 1 with #bands= 19 55) Finished k-point number 111 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 42) Finished k-point number 85 1 with #bands= 19 32) Finished k-point number 65 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 50) Finished k-point number 101 1 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 46) Finished k-point number 93 1 with #bands= 19 16) Finished k-point number 33 1 with #bands= 19 1) Finished k-point number 3 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 19 21) Finished k-point number 43 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 19) Finished k-point number 39 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 7) Finished k-point number 15 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 20) Finished k-point number 41 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 12) Finished k-point number 26 2 with #bands= 19 1) Finished k-point number 4 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 55) Finished k-point number 112 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 41) Finished k-point number 84 2 with #bands= 19 17) Finished k-point number 36 2 with #bands= 19 10) Finished k-point number 22 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 48) Finished k-point number 98 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 4) Finished k-point number 10 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 2) Finished k-point number 6 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 49) Finished k-point number 100 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 19 50) Finished k-point number 102 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 39) Finished k-point number 80 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 19 15) Finished k-point number 32 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 35) Finished k-point number 72 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 9.24731846588847 Density= 41.1873210652036 41.0000000000000 EF 8.97520463377489 Density= 40.8276924211900 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.67966543 0.65966543 0.187321 -0.172308 1 0.66966543 0.67966541 -0.521874E-01 0.187321 2 0.67184436 0.67966541 -0.169186E-01 0.187321 3 0.67280302 0.67184436 0.629603E-02 -0.169186E-01 4 0.67254303 0.67280302 -0.958997E-03 0.629603E-02 5 0.67257739 0.67280302 -0.172688E-04 0.629603E-02 6 0.67257802 0.67257739 0.193221E-08 -0.172688E-04 7 0.67257802 0.67257802 -0.815930E-09 0.193221E-08 8 0.67257802 0.67257802 0.193221E-08 -0.815930E-09 9 0.67257802 0.67257802 0.193221E-08 -0.815930E-09 Absolute convergence of the X interval. Difference in EF too large to mix -9.642910097804583E-002 cutoff= 2.9999999E-02 Difference in EF= -0.0964291010 EF set to : 9.1508893649 new EF (no-mixing): 9.1508893649 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.000896 tlogG= -0.016512 logG= -0.017408 Density= 0.095798 ETOT(band)= -0.068825 trlgG= -0.086515 logG= -0.017408 TDE= -0.133539 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002736 tlogG= -0.049485 logG= -0.052221 Density= 0.287755 ETOT(band)= -0.206085 trlgG= -0.259672 logG= -0.052221 TDE= -0.400988 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002745 tlogG= -0.049500 logG= -0.052245 logGD-logG0= -0.000906 tlogG= -0.016492 logG= -0.017399 Density= 0.095885 ETOT(band)= -0.068732 trlgG= -0.086501 logG= -0.017399 TDE= -0.133593 Density= 0.287795 ETOT(band)= -0.206015 trlgG= -0.259718 logG= -0.052245 TDE= -0.401038 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002778 tlogG= -0.048951 logG= -0.051728 Density= 0.288037 ETOT(band)= -0.205385 trlgG= -0.259038 logG= -0.051728 TDE= -0.401037 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.001329 tlogG= -0.012921 logG= -0.014249 logGD-logG0= -0.000670 tlogG= -0.012372 logG= -0.013042 Density= 0.071834 ETOT(band)= -0.051621 trlgG= -0.064880 logG= -0.013042 TDE= -0.100151 Density= 0.111292 ETOT(band)= -0.055960 trlgG= -0.071504 logG= -0.014249 TDE= -0.132107 logGD-logG0= -0.000684 tlogG= -0.012421 logG= -0.013105 Density= 0.071928 ETOT(band)= -0.051557 trlgG= -0.064985 logG= -0.013105 TDE= -0.100257 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 25 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002808 tlogG= -0.048456 logG= -0.051263 Density= 0.288264 ETOT(band)= -0.204808 trlgG= -0.258325 logG= -0.051263 TDE= -0.400942 logGD-logG0= -0.001177 tlogG= -0.013585 logG= -0.014762 37) Finished k-point 75 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002769 tlogG= -0.049151 logG= -0.051920 Density= 0.101251 ETOT(band)= -0.063125 trlgG= -0.079107 logG= -0.014762 TDE= -0.132445 Density= 0.287946 ETOT(band)= -0.205560 trlgG= -0.259256 logG= -0.051920 TDE= -0.401001 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.005523 tlogG= -0.098190 logG= -0.103713 Density= 0.575918 ETOT(band)= -0.411194 trlgG= -0.518446 logG= -0.103713 TDE= -0.802083 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002761 tlogG= -0.049347 logG= -0.052108 Density= 0.287867 ETOT(band)= -0.205724 trlgG= -0.259454 logG= -0.052108 TDE= -0.400959 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.005519 tlogG= -0.098452 logG= -0.103970 Density= 0.575826 ETOT(band)= -0.411401 trlgG= -0.518769 logG= -0.103970 TDE= -0.802087 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.000924 tlogG= -0.016239 logG= -0.017163 Density= 0.096045 ETOT(band)= -0.068382 trlgG= -0.086230 logG= -0.017163 TDE= -0.133664 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002753 tlogG= -0.049464 logG= -0.052217 Density= 0.287828 ETOT(band)= -0.205895 trlgG= -0.259649 logG= -0.052217 TDE= -0.401018 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001489 tlogG= -0.023398 logG= -0.024887 Density= 0.146274 ETOT(band)= -0.100490 trlgG= -0.126607 logG= -0.024887 TDE= -0.200101 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003657 tlogG= -0.040041 logG= -0.043698 Density= 0.315970 ETOT(band)= -0.180651 trlgG= -0.228096 logG= -0.043698 TDE= -0.396913 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.003523 tlogG= -0.040826 logG= -0.044348 Density= 0.317496 ETOT(band)= -0.180171 trlgG= -0.228201 logG= -0.044348 TDE= -0.397394 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002787 tlogG= -0.048711 logG= -0.051498 Density= 0.288142 ETOT(band)= -0.205127 trlgG= -0.258717 logG= -0.051498 TDE= -0.401017 logGD-logG0= -0.003123 tlogG= -0.045931 logG= -0.049054 Density= 0.307380 ETOT(band)= -0.190428 trlgG= -0.242144 logG= -0.049054 TDE= -0.399827 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002921 tlogG= -0.047074 logG= -0.049995 Density= 0.291834 ETOT(band)= -0.201568 trlgG= -0.254030 logG= -0.049995 TDE= -0.400316 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003038 tlogG= -0.046409 logG= -0.049447 Density= 0.295191 ETOT(band)= -0.198924 trlgG= -0.250881 logG= -0.049447 TDE= -0.399973 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003213 tlogG= -0.043930 logG= -0.047143 Density= 0.308146 ETOT(band)= -0.188197 trlgG= -0.238830 logG= -0.047143 TDE= -0.398940 logGD-logG0= -0.002741 tlogG= -0.049330 logG= -0.052071 Density= 0.287811 ETOT(band)= -0.205928 trlgG= -0.259467 logG= -0.052071 TDE= -0.400971 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001352 tlogG= -0.024792 logG= -0.026144 Density= 0.143762 ETOT(band)= -0.103201 trlgG= -0.129789 logG= -0.026144 TDE= -0.200336 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002719 tlogG= -0.049558 logG= -0.052278 Density= 0.287634 ETOT(band)= -0.206272 trlgG= -0.259645 logG= -0.052278 TDE= -0.400824 logGD-logG0= -0.006162 tlogG= -0.090801 logG= -0.096963 Density= 0.592120 ETOT(band)= -0.394954 trlgG= -0.497838 logG= -0.096963 TDE= -0.799121 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002694 tlogG= -0.049581 logG= -0.052275 Density= 0.287439 ETOT(band)= -0.206473 trlgG= -0.259585 logG= -0.052275 TDE= -0.400635 logGD-logG0= -0.002725 tlogG= -0.049659 logG= -0.052384 Density= 0.287652 ETOT(band)= -0.206311 trlgG= -0.259851 logG= -0.052384 TDE= -0.400935 logGD-logG0= -0.002862 tlogG= -0.047017 logG= -0.049879 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.288709 ETOT(band)= -0.203209 trlgG= -0.256053 logG= -0.049879 TDE= -0.400353 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002735 tlogG= -0.049338 logG= -0.052073 Density= 0.287787 ETOT(band)= -0.205958 trlgG= -0.259434 logG= -0.052073 TDE= -0.400921 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003138 tlogG= -0.043394 logG= -0.046532 Density= 0.294992 ETOT(band)= -0.196487 trlgG= -0.246860 logG= -0.046532 TDE= -0.398734 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002884 tlogG= -0.047405 logG= -0.050290 logGD-logG0= -0.002708 tlogG= -0.049644 logG= -0.052352 Density= 0.287542 ETOT(band)= -0.206423 trlgG= -0.259714 logG= -0.052352 TDE= -0.400757 Density= 0.290661 ETOT(band)= -0.202504 trlgG= -0.255308 logG= -0.050290 TDE= -0.400511 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005698 tlogG= -0.095185 logG= -0.100883 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.577448 ETOT(band)= -0.407453 trlgG= -0.513594 logG= -0.100883 TDE= -0.801089 logGD-logG0= -0.002829 tlogG= -0.047651 logG= -0.050480 Density= 0.288595 ETOT(band)= -0.203880 trlgG= -0.257126 logG= -0.050480 TDE= -0.400749 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005814 tlogG= -0.092164 logG= -0.097978 Density= 0.578737 ETOT(band)= -0.403994 trlgG= -0.508694 logG= -0.097978 TDE= -0.799961 logGD-logG0= -0.002777 tlogG= -0.049003 logG= -0.051780 Density= 0.287986 ETOT(band)= -0.205367 trlgG= -0.259007 logG= -0.051780 TDE= -0.400920 logGD-logG0= -0.002799 tlogG= -0.048258 logG= -0.051057 Density= 0.288338 ETOT(band)= -0.204592 trlgG= -0.258045 logG= -0.051057 TDE= -0.400917 logGD-logG0= -0.002848 tlogG= -0.047709 logG= -0.050557 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002904 tlogG= -0.046232 logG= -0.049136 Density= 0.289660 ETOT(band)= -0.201976 trlgG= -0.254478 logG= -0.049136 TDE= -0.400161 Density= 0.288869 ETOT(band)= -0.203781 trlgG= -0.256962 logG= -0.050557 TDE= -0.400692 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005621 tlogG= -0.096586 logG= -0.102207 Density= 0.576483 ETOT(band)= -0.409223 trlgG= -0.516013 logG= -0.102207 TDE= -0.801536 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006440 tlogG= -0.085639 logG= -0.092079 Density= 0.601706 ETOT(band)= -0.384358 trlgG= -0.484138 logG= -0.092079 TDE= -0.796753 logGD-logG0= -0.005914 tlogG= -0.092307 logG= -0.098221 Density= 0.584570 ETOT(band)= -0.400967 trlgG= -0.504972 logG= -0.098221 TDE= -0.799920 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002755 tlogG= -0.049146 logG= -0.051901 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.287928 ETOT(band)= -0.205662 trlgG= -0.259265 logG= -0.051901 TDE= -0.401018 logGD-logG0= -0.002791 tlogG= -0.048624 logG= -0.051415 Density= 0.288140 ETOT(band)= -0.204982 trlgG= -0.258526 logG= -0.051415 TDE= -0.400908 logGD-logG0= -0.002800 tlogG= -0.048432 logG= -0.051232 Density= 0.288180 ETOT(band)= -0.204760 trlgG= -0.258205 logG= -0.051232 TDE= -0.400796 logGD-logG0= -0.005780 tlogG= -0.092884 logG= -0.098664 Density= 0.578277 ETOT(band)= -0.404912 trlgG= -0.510131 logG= -0.098664 TDE= -0.800404 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.001009 tlogG= -0.014679 logG= -0.015688 logGD-logG0= -0.005835 tlogG= -0.093059 logG= -0.098894 Density= 0.097894 ETOT(band)= -0.065895 trlgG= -0.082900 logG= -0.015688 TDE= -0.133053 Density= 0.582440 ETOT(band)= -0.402789 trlgG= -0.507535 logG= -0.098894 TDE= -0.800377 logGD-logG0= -0.005672 tlogG= -0.095733 logG= -0.101405 Density= 0.577076 ETOT(band)= -0.408190 trlgG= -0.514691 logG= -0.101405 TDE= -0.801415 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006138 tlogG= -0.087645 logG= -0.093782 Density= 0.588419 ETOT(band)= -0.394527 trlgG= -0.495893 logG= -0.093782 TDE= -0.797868 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.003017 tlogG= -0.045837 logG= -0.048854 Density= 0.292935 ETOT(band)= -0.199898 trlgG= -0.251658 logG= -0.048854 TDE= -0.399826 20) Finished k-point 41 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005663 tlogG= -0.095549 logG= -0.101212 Density= 0.577056 ETOT(band)= -0.408060 trlgG= -0.514595 logG= -0.101212 TDE= -0.801499 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002849 tlogG= -0.047312 logG= -0.050161 Density= 0.288653 ETOT(band)= -0.203518 trlgG= -0.256555 logG= -0.050161 TDE= -0.400536 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005598 tlogG= -0.096783 logG= -0.102381 Density= 0.576520 ETOT(band)= -0.409486 trlgG= -0.516472 logG= -0.102381 TDE= -0.801846 logGD-logG0= -0.002903 tlogG= -0.046098 logG= -0.049001 Density= 0.289344 ETOT(band)= -0.202026 trlgG= -0.254537 logG= -0.049001 TDE= -0.400141 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005601 tlogG= -0.097003 logG= -0.102604 Density= 0.576385 ETOT(band)= -0.409699 trlgG= -0.516710 logG= -0.102604 TDE= -0.801771 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006042 tlogG= -0.088661 logG= -0.094702 Density= 0.586366 ETOT(band)= -0.396549 trlgG= -0.498829 logG= -0.094702 TDE= -0.798504 22) Finished k-point 45 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.000112 tlogG= -0.002061 logG= -0.002172 Density= 0.083805 ETOT(band)= -0.060225 trlgG= -0.075692 logG= -0.002172 TDE= -0.016691 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.001342 tlogG= -0.024759 logG= -0.026101 Density= 0.239479 ETOT(band)= -0.172069 trlgG= -0.216288 logG= -0.026101 TDE= -0.200309 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000689 tlogG= -0.012367 logG= -0.013056 Density= 0.359824 ETOT(band)= -0.257186 trlgG= -0.324356 logG= -0.013056 TDE= -0.100243 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000687 tlogG= -0.012393 logG= -0.013080 Density= 0.359774 ETOT(band)= -0.257398 trlgG= -0.324594 logG= -0.013080 TDE= -0.100255 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000955 tlogG= -0.015628 logG= -0.016583 Density= 0.168241 ETOT(band)= -0.119216 trlgG= -0.150284 logG= -0.016583 TDE= -0.133494 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002757 tlogG= -0.049215 logG= -0.051972 Density= 0.863824 ETOT(band)= -0.616936 trlgG= -0.777832 logG= -0.051972 TDE= -0.401053 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002707 tlogG= -0.049555 logG= -0.052262 Density= 0.383443 ETOT(band)= -0.275078 trlgG= -0.346029 logG= -0.052262 TDE= -0.400670 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002740 tlogG= -0.049594 logG= -0.052334 Density= 0.575547 ETOT(band)= -0.412139 trlgG= -0.519548 logG= -0.052334 TDE= -0.401031 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001391 tlogG= -0.024429 logG= -0.025820 Density= 0.432182 ETOT(band)= -0.307777 trlgG= -0.388180 logG= -0.025820 TDE= -0.200521 logGD-logG0= -0.002759 tlogG= -0.049347 logG= -0.052106 Density= 0.575817 ETOT(band)= -0.411329 trlgG= -0.518757 logG= -0.052106 TDE= -0.401012 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.003808 tlogG= -0.039413 logG= -0.043221 Density= 0.430310 ETOT(band)= -0.234201 trlgG= -0.296773 logG= -0.043221 TDE= -0.396613 logGD-logG0= -0.002729 tlogG= -0.049591 logG= -0.052320 Density= 0.575447 ETOT(band)= -0.412308 trlgG= -0.519443 logG= -0.052320 TDE= -0.400946 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001421 tlogG= -0.023956 logG= -0.025377 Density= 0.433257 ETOT(band)= -0.305791 trlgG= -0.385605 logG= -0.025377 TDE= -0.200378 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002755 tlogG= -0.049343 logG= -0.052098 Density= 0.863691 ETOT(band)= -0.617237 trlgG= -0.778308 logG= -0.052098 TDE= -0.401053 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000680 tlogG= -0.012429 logG= -0.013109 Density= 0.359556 ETOT(band)= -0.257907 trlgG= -0.324830 logG= -0.013109 TDE= -0.100231 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001555 tlogG= -0.023100 logG= -0.024656 Density= 0.461026 ETOT(band)= -0.285786 trlgG= -0.363431 logG= -0.024656 TDE= -0.199970 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003138 tlogG= -0.043076 logG= -0.046214 Density= 0.444568 ETOT(band)= -0.294758 trlgG= -0.370822 logG= -0.046214 TDE= -0.398627 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000673 tlogG= -0.012394 logG= -0.013067 Density= 0.359292 ETOT(band)= -0.258096 trlgG= -0.324487 logG= -0.013067 TDE= -0.100161 57) Finished k-point 116 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003306 tlogG= -0.041986 logG= -0.045292 Density= 0.403210 ETOT(band)= -0.254447 trlgG= -0.319326 logG= -0.045292 TDE= -0.398018 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002697 tlogG= -0.049579 logG= -0.052276 Density= 0.431233 ETOT(band)= -0.309644 trlgG= -0.389343 logG= -0.052276 TDE= -0.400625 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002842 tlogG= -0.047797 logG= -0.050639 Density= 0.866097 ETOT(band)= -0.611405 trlgG= -0.770704 logG= -0.050639 TDE= -0.400609 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.000676 tlogG= -0.012418 logG= -0.013094 Density= 0.359419 ETOT(band)= -0.258042 trlgG= -0.324650 logG= -0.013094 TDE= -0.100185 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002753 tlogG= -0.049087 logG= -0.051841 Density= 0.383989 ETOT(band)= -0.273997 trlgG= -0.345403 logG= -0.051841 TDE= -0.400997 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002775 tlogG= -0.048895 logG= -0.051669 Density= 0.576089 ETOT(band)= -0.410704 trlgG= -0.517979 logG= -0.051669 TDE= -0.401009 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002804 tlogG= -0.048467 logG= -0.051271 Density= 0.864666 ETOT(band)= -0.614020 trlgG= -0.774269 logG= -0.051271 TDE= -0.400811 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002826 tlogG= -0.047767 logG= -0.050593 Density= 0.576786 ETOT(band)= -0.408830 trlgG= -0.515623 logG= -0.050593 TDE= -0.400759 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002829 tlogG= -0.048061 logG= -0.050891 Density= 0.865543 ETOT(band)= -0.612501 trlgG= -0.772332 logG= -0.050891 TDE= -0.400766 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.005482 tlogG= -0.098794 logG= -0.104276 Density= 0.863530 ETOT(band)= -0.617613 trlgG= -0.778404 logG= -0.104276 TDE= -0.802001 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003217 tlogG= -0.042485 logG= -0.045702 logGD-logG0= -0.002712 tlogG= -0.049609 logG= -0.052321 Density= 0.575213 ETOT(band)= -0.412636 trlgG= -0.519319 logG= -0.052321 TDE= -0.400771 Density= 0.595330 ETOT(band)= -0.391649 trlgG= -0.492977 logG= -0.045702 TDE= -0.398261 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002961 tlogG= -0.044974 logG= -0.047935 Density= 0.582370 ETOT(band)= -0.401894 trlgG= -0.506059 logG= -0.047935 TDE= -0.399502 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001369 tlogG= -0.024708 logG= -0.026077 Density= 0.431693 ETOT(band)= -0.308948 trlgG= -0.389251 logG= -0.026077 TDE= -0.200480 logGD-logG0= -0.005447 tlogG= -0.099008 logG= -0.104454 Density= 0.863138 ETOT(band)= -0.618344 trlgG= -0.778621 logG= -0.104454 TDE= -0.801701 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003297 tlogG= -0.042422 logG= -0.045719 Density= 0.627412 ETOT(band)= -0.365979 trlgG= -0.463693 logG= -0.045719 TDE= -0.398215 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002766 tlogG= -0.049222 logG= -0.051988 logGD-logG0= -0.006097 tlogG= -0.092297 logG= -0.098394 Density= 1.182882 ETOT(band)= -0.792101 trlgG= -0.998635 logG= -0.098394 TDE= -0.799736 Density= 0.575897 ETOT(band)= -0.410961 trlgG= -0.518300 logG= -0.051988 TDE= -0.400948 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003157 tlogG= -0.045146 logG= -0.048303 Density= 0.615794 ETOT(band)= -0.377773 trlgG= -0.479704 logG= -0.048303 TDE= -0.399488 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006833 tlogG= -0.082645 logG= -0.089478 Density= 0.928793 ETOT(band)= -0.556367 trlgG= -0.700624 logG= -0.089478 TDE= -0.795221 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.005658 tlogG= -0.095571 logG= -0.101229 Density= 0.865534 ETOT(band)= -0.611334 trlgG= -0.770550 logG= -0.101229 TDE= -0.801228 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002939 tlogG= -0.045405 logG= -0.048344 Density= 0.580641 ETOT(band)= -0.403535 trlgG= -0.508388 logG= -0.048344 TDE= -0.399770 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002954 tlogG= -0.045154 logG= -0.048107 Density= 0.388436 ETOT(band)= -0.266379 trlgG= -0.335299 logG= -0.048107 TDE= -0.399704 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002869 tlogG= -0.047123 logG= -0.049992 Density= 0.578814 ETOT(band)= -0.405059 trlgG= -0.510486 logG= -0.049992 TDE= -0.400494 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002803 tlogG= -0.048290 logG= -0.051093 Density= 0.576915 ETOT(band)= -0.408512 trlgG= -0.515227 logG= -0.051093 TDE= -0.400925 logGD-logG0= -0.005741 tlogG= -0.093990 logG= -0.099732 Density= 1.156642 ETOT(band)= -0.810111 trlgG= -1.020408 logG= -0.099732 TDE= -0.800670 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002987 tlogG= -0.046551 logG= -0.049539 Density= 0.585580 ETOT(band)= -0.400605 trlgG= -0.504482 logG= -0.049539 TDE= -0.400111 logGD-logG0= -0.005552 tlogG= -0.097524 logG= -0.103076 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.864561 ETOT(band)= -0.614982 trlgG= -0.775582 logG= -0.103076 TDE= -0.802015 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005565 tlogG= -0.097711 logG= -0.103276 Density= 0.864248 ETOT(band)= -0.615183 trlgG= -0.775811 logG= -0.103276 TDE= -0.801781 logGD-logG0= -0.003066 tlogG= -0.044737 logG= -0.047803 Density= 0.588446 ETOT(band)= -0.395089 trlgG= -0.496645 logG= -0.047803 TDE= -0.399353 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005712 tlogG= -0.094600 logG= -0.100312 Density= 1.155788 ETOT(band)= -0.811824 trlgG= -1.023056 logG= -0.100312 TDE= -0.801035 logGD-logG0= -0.005785 tlogG= -0.094358 logG= -0.100143 Density= 1.164041 ETOT(band)= -0.807229 trlgG= -1.017366 logG= -0.100143 TDE= -0.800861 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006270 tlogG= -0.088485 logG= -0.094755 Density= 1.196634 ETOT(band)= -0.775448 trlgG= -0.976853 logG= -0.094755 TDE= -0.798097 logGD-logG0= -0.002795 tlogG= -0.048667 logG= -0.051462 Density= 0.864520 ETOT(band)= -0.614732 trlgG= -0.775305 logG= -0.051462 TDE= -0.400927 logGD-logG0= -0.005860 tlogG= -0.093676 logG= -0.099536 Density= 1.168463 ETOT(band)= -0.803552 trlgG= -1.012253 logG= -0.099536 TDE= -0.800458 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006005 tlogG= -0.090208 logG= -0.096213 Density= 1.174135 ETOT(band)= -0.792941 trlgG= -0.997205 logG= -0.096213 TDE= -0.799040 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005567 tlogG= -0.097611 logG= -0.103178 Density= 1.152707 ETOT(band)= -0.819923 trlgG= -1.034137 logG= -0.103178 TDE= -0.802018 logGD-logG0= -0.005627 tlogG= -0.096559 logG= -0.102186 38) Finished k-point 78 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 1.153717 ETOT(band)= -0.817276 trlgG= -1.030724 logG= -0.102186 TDE= -0.801793 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005549 tlogG= -0.098029 logG= -0.103578 Density= 0.864128 ETOT(band)= -0.615802 trlgG= -0.776662 logG= -0.103578 TDE= -0.801955 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005723 tlogG= -0.094027 logG= -0.099751 Density= 0.867052 ETOT(band)= -0.608313 trlgG= -0.766729 logG= -0.099751 TDE= -0.800995 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005637 tlogG= -0.096059 logG= -0.101696 Density= 0.865384 ETOT(band)= -0.612172 trlgG= -0.771877 logG= -0.101696 TDE= -0.801523 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005919 tlogG= -0.091080 logG= -0.096999 Density= 1.170203 ETOT(band)= -0.796747 trlgG= -1.002739 logG= -0.096999 TDE= -0.799586 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Sum of eigenvalues= -385.994033808706 eV TrLogG= -486.376337761787 eV Ratio to renormalize= 1.000371974906 rho-rho_expected=-0.015245300279 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 15) Finished k-point number 31 1 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 17) Finished k-point number 36 2 with #bands= 19 5) Finished k-point number 11 1 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 30) Finished k-point number 61 1 with #bands= 19 34) Finished k-point number 69 1 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 5) Finished k-point number 12 2 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 30) Finished k-point number 62 2 with #bands= 19 34) Finished k-point number 70 2 with #bands= 19 23) Finished k-point number 47 1 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 18) Finished k-point number 37 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 23) Finished k-point number 48 2 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 27) Finished k-point number 55 1 with #bands= 20 12) Finished k-point number 26 2 with #bands= 19 59) Finished k-point number 119 1 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 29) Finished k-point number 60 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 50) Finished k-point number 102 2 with #bands= 20 46) Finished k-point number 93 1 with #bands= 19 54) Finished k-point number 110 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 51) Finished k-point number 103 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 40) Finished k-point number 81 1 with #bands= 19 48) Finished k-point number 97 1 with #bands= 19 56) Finished k-point number 113 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 40) Finished k-point number 82 2 with #bands= 19 25) Finished k-point number 51 1 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 19 25) Finished k-point number 52 2 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 22) Finished k-point number 45 1 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.864575156292851 0.871720448361008 0.849916544818633 3) Finished k-point number 7 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 19 58) Finished k-point number 117 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 55) Finished k-point number 111 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 15) Finished k-point number 31 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 59) Finished k-point number 119 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 48) Finished k-point number 97 1 with #bands= 19 37) Finished k-point number 75 1 with #bands= 19 35) Finished k-point number 71 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 30) Finished k-point number 61 1 with #bands= 19 19) Finished k-point number 39 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 31) Finished k-point number 63 1 with #bands= 19 21) Finished k-point number 43 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 18) Finished k-point number 38 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 19 1) Finished k-point number 4 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 4) Finished k-point number 10 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 46) Finished k-point number 94 2 with #bands= 19 14) Finished k-point number 30 2 with #bands= 19 21) Finished k-point number 44 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 15) Finished k-point number 32 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 19 41) Finished k-point number 84 2 with #bands= 19 24) Finished k-point number 50 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 45) Finished k-point number 92 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 33) Finished k-point number 68 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 36) Finished k-point number 74 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 39) Finished k-point number 80 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 9.15088936491042 Density= 40.9830663698482 41.0000000000000 EF 9.42300319702401 Density= 41.4023428687936 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.69257802 0.67257802 0.402343 -0.169336E-01 1 0.68257802 0.67257804 0.229355 -0.169336E-01 2 0.67757803 0.67257827 0.129276 -0.169336E-01 3 0.67507815 0.67257792 0.481933E-01 -0.169336E-01 4 0.67382803 0.67257809 0.104053E-01 -0.169336E-01 5 0.67338651 0.67382803 -0.739713E-03 0.104053E-01 6 0.67341581 0.67382803 -0.783637E-04 0.104053E-01 7 0.67341926 0.67382803 -0.432285E-06 0.104053E-01 8 0.67341928 0.67382803 -0.270923E-09 0.104053E-01 9 0.67341928 0.67341928 0.199079E-08 -0.270923E-09 10 0.67341928 0.67341928 0.199079E-08 -0.270923E-09 Absolute convergence of the X interval. Difference in EF= 0.0114458608 EF set to : 9.1623352257 new EF (no-mixing): 9.1623352257 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.000885 tlogG= -0.016548 logG= -0.017432 Density= 0.095829 ETOT(band)= -0.068787 trlgG= -0.086585 logG= -0.017432 TDE= -0.133685 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000876 tlogG= -0.016567 logG= -0.017442 Density= 0.095744 ETOT(band)= -0.068880 trlgG= -0.086599 logG= -0.017442 TDE= -0.133633 logGD-logG0= -0.002672 tlogG= -0.049651 logG= -0.052323 Density= 0.287585 ETOT(band)= -0.206252 trlgG= -0.259924 logG= -0.052323 TDE= -0.401266 logGD-logG0= -0.001319 tlogG= -0.012979 logG= -0.014298 Density= 0.111570 ETOT(band)= -0.055825 trlgG= -0.071368 logG= -0.014298 TDE= -0.132202 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.001161 tlogG= -0.013645 logG= -0.014807 Density= 0.101545 ETOT(band)= -0.062985 trlgG= -0.078967 logG= -0.014807 TDE= -0.132542 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005389 tlogG= -0.098524 logG= -0.103913 logGD-logG0= -0.002680 tlogG= -0.049667 logG= -0.052347 Density= 0.287622 ETOT(band)= -0.206183 trlgG= -0.259973 logG= -0.052347 TDE= -0.401317 Density= 0.575571 ETOT(band)= -0.411529 trlgG= -0.518952 logG= -0.103913 TDE= -0.802640 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002703 tlogG= -0.049319 logG= -0.052022 Density= 0.287771 ETOT(band)= -0.205730 trlgG= -0.259513 logG= -0.052022 TDE= -0.401282 logGD-logG0= -0.005387 tlogG= -0.098786 logG= -0.104173 Density= 0.575478 ETOT(band)= -0.411738 trlgG= -0.519279 logG= -0.104173 TDE= -0.802645 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.000655 tlogG= -0.012413 logG= -0.013068 Density= 0.071794 ETOT(band)= -0.051662 trlgG= -0.064942 logG= -0.013068 TDE= -0.100221 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000901 tlogG= -0.016294 logG= -0.017196 Density= 0.095985 ETOT(band)= -0.068439 trlgG= -0.086315 logG= -0.017196 TDE= -0.133757 logGD-logG0= -0.003618 tlogG= -0.040219 logG= -0.043836 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.316209 ETOT(band)= -0.180654 trlgG= -0.228097 logG= -0.043836 TDE= -0.397202 logGD-logG0= -0.002688 tlogG= -0.049632 logG= -0.052320 Density= 0.287655 ETOT(band)= -0.206065 trlgG= -0.259906 logG= -0.052320 TDE= -0.401298 logGD-logG0= -0.002710 tlogG= -0.049172 logG= -0.051883 Density= 0.287811 ETOT(band)= -0.205538 trlgG= -0.259267 logG= -0.051883 TDE= -0.401201 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003478 tlogG= -0.041000 logG= -0.044478 Density= 0.318438 ETOT(band)= -0.179700 trlgG= -0.227717 logG= -0.044478 TDE= -0.397681 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000668 tlogG= -0.012463 logG= -0.013131 Density= 0.071886 ETOT(band)= -0.051599 trlgG= -0.065049 logG= -0.013131 TDE= -0.100327 logGD-logG0= -0.001321 tlogG= -0.024875 logG= -0.026195 Density= 0.143679 ETOT(band)= -0.103283 trlgG= -0.129915 logG= -0.026195 TDE= -0.200475 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002632 tlogG= -0.049747 logG= -0.052379 Density= 0.287277 ETOT(band)= -0.206635 trlgG= -0.259837 logG= -0.052379 TDE= -0.400916 logGD-logG0= -0.002985 tlogG= -0.046581 logG= -0.049566 Density= 0.294800 ETOT(band)= -0.199286 trlgG= -0.251301 logG= -0.049566 TDE= -0.400258 logGD-logG0= -0.003072 tlogG= -0.043570 logG= -0.046642 Density= 0.295254 ETOT(band)= -0.196407 trlgG= -0.246835 logG= -0.046642 TDE= -0.399023 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003073 tlogG= -0.046098 logG= -0.049171 Density= 0.307534 ETOT(band)= -0.190408 trlgG= -0.242180 logG= -0.049171 TDE= -0.400108 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001461 tlogG= -0.023484 logG= -0.024945 Density= 0.146376 ETOT(band)= -0.100471 trlgG= -0.126616 logG= -0.024945 TDE= -0.200244 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002711 tlogG= -0.049118 logG= -0.051829 Density= 0.287864 ETOT(band)= -0.205552 trlgG= -0.259292 logG= -0.051829 TDE= -0.401317 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002740 tlogG= -0.048623 logG= -0.051363 Density= 0.288096 ETOT(band)= -0.204972 trlgG= -0.258576 logG= -0.051363 TDE= -0.401222 37) Finished k-point 75 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.003158 tlogG= -0.044099 logG= -0.047257 Density= 0.308293 ETOT(band)= -0.188179 trlgG= -0.238870 logG= -0.047257 TDE= -0.399223 logGD-logG0= -0.002661 tlogG= -0.049825 logG= -0.052486 Density= 0.287484 ETOT(band)= -0.206476 trlgG= -0.260103 logG= -0.052486 TDE= -0.401214 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002861 tlogG= -0.047245 logG= -0.050106 Density= 0.292160 ETOT(band)= -0.201459 trlgG= -0.253961 logG= -0.050106 TDE= -0.400600 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006051 tlogG= -0.091147 logG= -0.097199 Density= 0.591181 ETOT(band)= -0.395777 trlgG= -0.498781 logG= -0.097199 TDE= -0.799695 logGD-logG0= -0.002675 tlogG= -0.049496 logG= -0.052172 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.287640 ETOT(band)= -0.206094 trlgG= -0.259718 logG= -0.052172 TDE= -0.401248 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002645 tlogG= -0.049810 logG= -0.052455 Density= 0.287377 ETOT(band)= -0.206588 trlgG= -0.259966 logG= -0.052455 TDE= -0.401036 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005789 tlogG= -0.092652 logG= -0.098440 Density= 0.585178 ETOT(band)= -0.400772 trlgG= -0.504862 logG= -0.098440 TDE= -0.800492 logGD-logG0= -0.005561 tlogG= -0.095526 logG= -0.101087 Density= 0.577228 ETOT(band)= -0.407717 trlgG= -0.514027 logG= -0.101087 TDE= -0.801657 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002820 tlogG= -0.047575 logG= -0.050395 Density= 0.291018 ETOT(band)= -0.202373 trlgG= -0.255212 logG= -0.050395 TDE= -0.400794 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002656 tlogG= -0.049724 logG= -0.052380 Density= 0.287467 ETOT(band)= -0.206437 trlgG= -0.259896 logG= -0.052380 TDE= -0.401102 logGD-logG0= -0.002728 tlogG= -0.048426 logG= -0.051154 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.288156 ETOT(band)= -0.204762 trlgG= -0.258302 logG= -0.051154 TDE= -0.401197 logGD-logG0= -0.000983 tlogG= -0.014737 logG= -0.015720 Density= 0.098088 ETOT(band)= -0.065804 trlgG= -0.082814 logG= -0.015720 TDE= -0.133148 logGD-logG0= -0.002695 tlogG= -0.049516 logG= -0.052211 Density= 0.287693 ETOT(band)= -0.205895 trlgG= -0.259713 logG= -0.052211 TDE= -0.401240 logGD-logG0= -0.002830 tlogG= -0.046403 logG= -0.049233 Density= 0.289656 ETOT(band)= -0.202043 trlgG= -0.254617 logG= -0.049233 TDE= -0.400445 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.005665 tlogG= -0.092509 logG= -0.098175 Density= 0.578554 ETOT(band)= -0.404230 trlgG= -0.509097 logG= -0.098175 TDE= -0.800532 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005485 tlogG= -0.096926 logG= -0.102410 Density= 0.576134 ETOT(band)= -0.409563 trlgG= -0.516532 logG= -0.102410 TDE= -0.802101 logGD-logG0= -0.002776 tlogG= -0.047482 logG= -0.050259 Density= 0.288468 ETOT(band)= -0.203690 trlgG= -0.256817 logG= -0.050259 TDE= -0.400818 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002789 tlogG= -0.047188 logG= -0.049977 Density= 0.288523 ETOT(band)= -0.203383 trlgG= -0.256318 logG= -0.049977 TDE= -0.400637 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006314 tlogG= -0.085992 logG= -0.092306 logGD-logG0= -0.002732 tlogG= -0.048602 logG= -0.051334 Density= 0.287999 ETOT(band)= -0.204934 trlgG= -0.258468 logG= -0.051334 TDE= -0.401079 Density= 0.601283 ETOT(band)= -0.384845 trlgG= -0.484723 logG= -0.092306 TDE= -0.797332 logGD-logG0= -0.002669 tlogG= -0.049504 logG= -0.052174 Density= 0.287615 ETOT(band)= -0.206125 trlgG= -0.259687 logG= -0.052174 TDE= -0.401198 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005998 tlogG= -0.087996 logG= -0.093995 Density= 0.589000 ETOT(band)= -0.394333 trlgG= -0.495796 logG= -0.093995 TDE= -0.798445 logGD-logG0= -0.005631 tlogG= -0.093226 logG= -0.098857 Density= 0.577991 ETOT(band)= -0.405207 trlgG= -0.510599 logG= -0.098857 TDE= -0.800972 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005521 tlogG= -0.095887 logG= -0.101408 Density= 0.576712 ETOT(band)= -0.408391 trlgG= -0.515100 logG= -0.101408 TDE= -0.802061 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002756 tlogG= -0.047819 logG= -0.050576 Density= 0.288415 ETOT(band)= -0.204048 trlgG= -0.257382 logG= -0.050576 TDE= -0.401030 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002958 tlogG= -0.046010 logG= -0.048968 Density= 0.293126 ETOT(band)= -0.199866 trlgG= -0.251683 logG= -0.048968 TDE= -0.400112 20) Finished k-point 41 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002826 tlogG= -0.046269 logG= -0.049095 Density= 0.289165 ETOT(band)= -0.202190 trlgG= -0.254791 logG= -0.049095 TDE= -0.400425 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002688 tlogG= -0.049312 logG= -0.052001 Density= 0.287752 ETOT(band)= -0.205831 trlgG= -0.259519 logG= -0.052001 TDE= -0.401296 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005896 tlogG= -0.089009 logG= -0.094905 Density= 0.587095 ETOT(band)= -0.396267 trlgG= -0.498622 logG= -0.094905 TDE= -0.799078 22) Finished k-point 45 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002779 tlogG= -0.047878 logG= -0.050657 Density= 0.288798 ETOT(band)= -0.203889 trlgG= -0.257149 logG= -0.050657 TDE= -0.400974 logGD-logG0= -0.005534 tlogG= -0.096072 logG= -0.101606 Density= 0.576778 ETOT(band)= -0.408497 trlgG= -0.515172 logG= -0.101606 TDE= -0.801979 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002723 tlogG= -0.048793 logG= -0.051516 Density= 0.287959 ETOT(band)= -0.205155 trlgG= -0.258787 logG= -0.051516 TDE= -0.401189 logGD-logG0= -0.005460 tlogG= -0.097119 logG= -0.102579 Density= 0.576163 ETOT(band)= -0.409825 trlgG= -0.516986 logG= -0.102579 TDE= -0.802406 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002720 tlogG= -0.048879 logG= -0.051598 Density= 0.287969 ETOT(band)= -0.205294 trlgG= -0.258971 logG= -0.051598 TDE= -0.401296 logGD-logG0= -0.005465 tlogG= -0.097340 logG= -0.102805 Density= 0.576036 ETOT(band)= -0.410038 trlgG= -0.517225 logG= -0.102805 TDE= -0.802333 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005701 tlogG= -0.093401 logG= -0.099103 Density= 0.583182 ETOT(band)= -0.402510 trlgG= -0.507322 logG= -0.099103 TDE= -0.800945 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000109 tlogG= -0.002067 logG= -0.002177 Density= 0.083758 ETOT(band)= -0.060272 trlgG= -0.075765 logG= -0.002177 TDE= -0.016703 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.000671 tlogG= -0.012435 logG= -0.013106 Density= 0.359558 ETOT(band)= -0.257610 trlgG= -0.324915 logG= -0.013106 TDE= -0.100325 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002691 tlogG= -0.049382 logG= -0.052072 Density= 0.863306 ETOT(band)= -0.617437 trlgG= -0.778591 logG= -0.052072 TDE= -0.401332 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002644 tlogG= -0.049721 logG= -0.052365 Density= 0.383220 ETOT(band)= -0.275297 trlgG= -0.346363 logG= -0.052365 TDE= -0.400949 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002676 tlogG= -0.049761 logG= -0.052437 Density= 0.575203 ETOT(band)= -0.412475 trlgG= -0.520057 logG= -0.052437 TDE= -0.401309 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002693 tlogG= -0.049515 logG= -0.052208 Density= 0.575468 ETOT(band)= -0.411669 trlgG= -0.519273 logG= -0.052208 TDE= -0.401292 logGD-logG0= -0.000657 tlogG= -0.012436 logG= -0.013093 Density= 0.359089 ETOT(band)= -0.258300 trlgG= -0.324802 logG= -0.013093 TDE= -0.100231 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 57) Finished k-point 116 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002700 tlogG= -0.049391 logG= -0.052091 Density= 0.575546 ETOT(band)= -0.411303 trlgG= -0.518821 logG= -0.052091 TDE= -0.401229 logGD-logG0= -0.001312 tlogG= -0.024842 logG= -0.026154 Density= 0.239345 ETOT(band)= -0.172205 trlgG= -0.216498 logG= -0.026154 TDE= -0.200449 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002689 tlogG= -0.049510 logG= -0.052199 Density= 0.863171 ETOT(band)= -0.617742 trlgG= -0.779073 logG= -0.052199 TDE= -0.401332 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003775 tlogG= -0.039591 logG= -0.043366 Density= 0.431434 ETOT(band)= -0.233662 trlgG= -0.296233 logG= -0.043366 TDE= -0.396903 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002635 tlogG= -0.049744 logG= -0.052380 Density= 0.430987 ETOT(band)= -0.309889 trlgG= -0.389721 logG= -0.052380 TDE= -0.400905 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003250 tlogG= -0.042164 logG= -0.045414 Density= 0.404549 ETOT(band)= -0.253783 trlgG= -0.318641 logG= -0.045414 TDE= -0.398309 logGD-logG0= -0.000930 tlogG= -0.015685 logG= -0.016614 Density= 0.168138 ETOT(band)= -0.119313 trlgG= -0.150433 logG= -0.016614 TDE= -0.133588 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000673 tlogG= -0.012409 logG= -0.013082 logGD-logG0= -0.000664 tlogG= -0.012470 logG= -0.013135 Density= 0.359345 ETOT(band)= -0.258114 trlgG= -0.325146 logG= -0.013135 TDE= -0.100301 Density= 0.359607 ETOT(band)= -0.257400 trlgG= -0.324680 logG= -0.013082 TDE= -0.100313 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000660 tlogG= -0.012459 logG= -0.013120 Density= 0.359213 ETOT(band)= -0.258247 trlgG= -0.324965 logG= -0.013120 TDE= -0.100255 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002774 tlogG= -0.047968 logG= -0.050741 Density= 0.865765 ETOT(band)= -0.611803 trlgG= -0.771354 logG= -0.050741 TDE= -0.400893 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002665 tlogG= -0.049757 logG= -0.052422 Density= 0.575107 ETOT(band)= -0.412641 trlgG= -0.519947 logG= -0.052422 TDE= -0.401224 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003069 tlogG= -0.043252 logG= -0.046322 Density= 0.445800 ETOT(band)= -0.294159 trlgG= -0.370216 logG= -0.046322 TDE= -0.398916 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002736 tlogG= -0.048637 logG= -0.051373 Density= 0.864144 ETOT(band)= -0.614530 trlgG= -0.775047 logG= -0.051373 TDE= -0.401093 logGD-logG0= -0.001531 tlogG= -0.023184 logG= -0.024715 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 Density= 0.461259 ETOT(band)= -0.285755 trlgG= -0.363483 logG= -0.024715 TDE= -0.200110 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003004 tlogG= -0.044911 logG= -0.047915 logGD-logG0= -0.001387 tlogG= -0.024040 logG= -0.025427 Density= 0.588890 ETOT(band)= -0.394981 trlgG= -0.496650 logG= -0.047915 TDE= -0.399640 logGD-logG0= -0.003238 tlogG= -0.042594 logG= -0.045832 Density= 0.628638 ETOT(band)= -0.365406 trlgG= -0.463154 logG= -0.045832 TDE= -0.398500 Density= 0.433148 ETOT(band)= -0.305954 trlgG= -0.385887 logG= -0.025427 TDE= -0.200519 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003154 tlogG= -0.042664 logG= -0.045817 Density= 0.596027 ETOT(band)= -0.391458 trlgG= -0.492818 logG= -0.045817 TDE= -0.398552 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002686 tlogG= -0.049254 logG= -0.051940 Density= 0.383754 ETOT(band)= -0.274221 trlgG= -0.345741 logG= -0.051940 TDE= -0.401275 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002883 tlogG= -0.045148 logG= -0.048031 logGD-logG0= -0.006731 tlogG= -0.083003 logG= -0.089733 Density= 0.929626 ETOT(band)= -0.556321 trlgG= -0.700548 logG= -0.089733 TDE= -0.795804 Density= 0.582688 ETOT(band)= -0.401853 trlgG= -0.506134 logG= -0.048031 TDE= -0.399789 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001336 tlogG= -0.024791 logG= -0.026127 Density= 0.431437 ETOT(band)= -0.309198 trlgG= -0.389629 logG= -0.026127 TDE= -0.200619 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005991 tlogG= -0.092641 logG= -0.098632 Density= 1.181125 ETOT(band)= -0.793671 trlgG= -1.000442 logG= -0.098632 TDE= -0.800308 logGD-logG0= -0.001357 tlogG= -0.024513 logG= -0.025870 Density= 0.431923 ETOT(band)= -0.308027 trlgG= -0.388560 logG= -0.025870 TDE= -0.200661 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002761 tlogG= -0.048231 logG= -0.050992 Density= 0.865095 ETOT(band)= -0.612963 trlgG= -0.773053 logG= -0.050992 TDE= -0.401048 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002876 tlogG= -0.045326 logG= -0.048202 logGD-logG0= -0.002754 tlogG= -0.047936 logG= -0.050690 Density= 0.576434 ETOT(band)= -0.409165 trlgG= -0.516134 logG= -0.050690 TDE= -0.401040 Density= 0.388707 ETOT(band)= -0.266305 trlgG= -0.335296 logG= -0.048202 TDE= -0.399989 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003105 tlogG= -0.045314 logG= -0.048419 Density= 0.616091 ETOT(band)= -0.377736 trlgG= -0.479781 logG= -0.048419 TDE= -0.399769 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002707 tlogG= -0.049062 logG= -0.051769 Density= 0.575737 ETOT(band)= -0.411042 trlgG= -0.518491 logG= -0.051769 TDE= -0.401289 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002649 tlogG= -0.049775 logG= -0.052424 Density= 0.574879 ETOT(band)= -0.412966 trlgG= -0.519821 logG= -0.052424 TDE= -0.401050 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005318 tlogG= -0.099339 logG= -0.104658 Density= 0.862628 ETOT(band)= -0.618841 trlgG= -0.779375 logG= -0.104658 TDE= -0.802256 logGD-logG0= -0.005739 tlogG= -0.094019 logG= -0.099758 Density= 1.169711 ETOT(band)= -0.803145 trlgG= -1.012012 logG= -0.099758 TDE= -0.801028 logGD-logG0= -0.002861 tlogG= -0.045578 logG= -0.048439 Density= 0.580884 ETOT(band)= -0.403533 trlgG= -0.508505 logG= -0.048439 TDE= -0.400055 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005415 tlogG= -0.097859 logG= -0.103274 Density= 0.864025 ETOT(band)= -0.615489 trlgG= -0.776349 logG= -0.103274 TDE= -0.802574 logGD-logG0= -0.002727 tlogG= -0.048836 logG= -0.051563 Density= 0.863998 ETOT(band)= -0.615238 trlgG= -0.776077 logG= -0.051563 TDE= -0.401208 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002798 tlogG= -0.047293 logG= -0.050090 Density= 0.578760 ETOT(band)= -0.405220 trlgG= -0.510797 logG= -0.050090 TDE= -0.400777 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005599 tlogG= -0.094333 logG= -0.099932 logGD-logG0= -0.005432 tlogG= -0.098050 logG= -0.103481 Density= 0.863714 ETOT(band)= -0.615700 trlgG= -0.776596 logG= -0.103481 TDE= -0.802344 logGD-logG0= -0.005570 tlogG= -0.094940 logG= -0.100510 Density= 1.156250 ETOT(band)= -0.810604 trlgG= -1.021236 logG= -0.099932 TDE= -0.801239 Density= 1.155205 ETOT(band)= -0.812423 trlgG= -1.024002 logG= -0.100510 TDE= -0.801600 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005497 tlogG= -0.096398 logG= -0.101896 Density= 0.864842 ETOT(band)= -0.612686 trlgG= -0.772658 logG= -0.101896 TDE= -0.802087 logGD-logG0= -0.002931 tlogG= -0.046723 logG= -0.049654 Density= 0.585971 ETOT(band)= -0.400537 trlgG= -0.504526 logG= -0.049654 TDE= -0.400397 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005873 tlogG= -0.090556 logG= -0.096429 Density= 1.175276 ETOT(band)= -0.792574 trlgG= -0.997029 logG= -0.096429 TDE= -0.799614 logGD-logG0= -0.006152 tlogG= -0.088834 logG= -0.094986 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 1.195156 ETOT(band)= -0.776829 trlgG= -0.978456 logG= -0.094986 TDE= -0.798673 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005519 tlogG= -0.095912 logG= -0.101431 Density= 0.864990 ETOT(band)= -0.611851 trlgG= -0.771339 logG= -0.101431 TDE= -0.801794 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005490 tlogG= -0.096895 logG= -0.102385 Density= 1.153033 ETOT(band)= -0.817935 trlgG= -1.031733 logG= -0.102385 TDE= -0.802354 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002733 tlogG= -0.048458 logG= -0.051191 Density= 0.576558 ETOT(band)= -0.408848 trlgG= -0.515737 logG= -0.051191 TDE= -0.401206 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005575 tlogG= -0.094367 logG= -0.099942 Density= 0.866525 ETOT(band)= -0.608807 trlgG= -0.767488 logG= -0.099942 TDE= -0.801560 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005354 tlogG= -0.099128 logG= -0.104483 Density= 0.863010 ETOT(band)= -0.618114 trlgG= -0.779169 logG= -0.104483 TDE= -0.802557 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005416 tlogG= -0.098365 logG= -0.103781 Density= 0.863596 ETOT(band)= -0.616315 trlgG= -0.777440 logG= -0.103781 TDE= -0.802516 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005781 tlogG= -0.091425 logG= -0.097205 Density= 1.171677 ETOT(band)= -0.796180 trlgG= -1.002315 logG= -0.097205 TDE= -0.800157 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005432 tlogG= -0.097946 logG= -0.103378 Density= 1.152001 ETOT(band)= -0.820598 trlgG= -1.035161 logG= -0.103378 TDE= -0.802577 38) Finished k-point 78 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005655 tlogG= -0.094699 logG= -0.100354 Density= 1.165509 ETOT(band)= -0.806682 trlgG= -1.016954 logG= -0.100354 TDE= -0.801428 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Sum of eigenvalues= -386.170657236282 eV TrLogG= -486.648392723286 eV Ratio to renormalize= 1.000475127239 rho-rho_expected=-0.019470965603 nargs= 1 argi=dmft2.def 15) Finished k-point number 31 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 29) Finished k-point number 59 1 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 45) Finished k-point number 92 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 29) Finished k-point number 60 2 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 20) Finished k-point number 41 1 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 34) Finished k-point number 70 2 with #bands= 19 54) Finished k-point number 110 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 58) Finished k-point number 117 1 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 28) Finished k-point number 57 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 41) Finished k-point number 83 1 with #bands= 19 1) Finished k-point number 3 1 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 1) Finished k-point number 4 2 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 14) Finished k-point number 29 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 2) Finished k-point number 5 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 22) Finished k-point number 45 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 27) Finished k-point number 55 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 46) Finished k-point number 93 1 with #bands= 19 3) Finished k-point number 7 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 47) Finished k-point number 95 1 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 19 47) Finished k-point number 96 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 9) Finished k-point number 20 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 23) Finished k-point number 47 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 23) Finished k-point number 48 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.864640184952967 0.871785527744237 0.849996527503721 0) Finished k-point number 1 1 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 59) Finished k-point number 119 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 32) Finished k-point number 65 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 7) Finished k-point number 15 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 19 37) Finished k-point number 75 1 with #bands= 19 21) Finished k-point number 43 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 30) Finished k-point number 61 1 with #bands= 19 10) Finished k-point number 21 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 31) Finished k-point number 63 1 with #bands= 19 16) Finished k-point number 33 1 with #bands= 19 3) Finished k-point number 7 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 18) Finished k-point number 38 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 49) Finished k-point number 100 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 21) Finished k-point number 44 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 16) Finished k-point number 34 2 with #bands= 19 56) Finished k-point number 114 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 20) Finished k-point number 42 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 26) Finished k-point number 54 2 with #bands= 19 32) Finished k-point number 66 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 55) Finished k-point number 112 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 24) Finished k-point number 50 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 57) Finished k-point number 116 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 15) Finished k-point number 32 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 9.16233522567991 Density= 40.9918266594996 41.0000000000000 EF 9.43444905779350 Density= 41.4124997272328 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.69341928 0.67341928 0.412500 -0.817334E-02 1 0.68341928 0.67341930 0.237318 -0.817334E-02 2 0.67841929 0.67341905 0.142384 -0.817335E-02 3 0.67591917 0.67341917 0.637363E-01 -0.817334E-02 4 0.67466917 0.67341911 0.237128E-01 -0.817334E-02 5 0.67404414 0.67341938 0.595651E-02 -0.817334E-02 6 0.67379456 0.67404414 -0.167339E-03 0.595651E-02 7 0.67380138 0.67404414 -0.123734E-04 0.595651E-02 8 0.67380192 0.67404414 -0.201744E-07 0.595651E-02 9 0.67380192 0.67404414 -0.248690E-11 0.595651E-02 Absolute convergence of |F(X)|. Difference in EF= 0.0052061353 EF set to : 9.1675413610 new EF (no-mixing): 9.1675413610 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.000668 tlogG= -0.012500 logG= -0.013167 Density= 0.071888 ETOT(band)= -0.051659 trlgG= -0.065146 logG= -0.013167 TDE= -0.100417 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000875 tlogG= -0.016617 logG= -0.017492 Density= 0.095747 ETOT(band)= -0.068960 trlgG= -0.086727 logG= -0.017492 TDE= -0.133749 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002679 tlogG= -0.049815 logG= -0.052494 Density= 0.287630 ETOT(band)= -0.206422 trlgG= -0.260363 logG= -0.052494 TDE= -0.401675 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000655 tlogG= -0.012451 logG= -0.013106 Density= 0.071796 ETOT(band)= -0.051722 trlgG= -0.065038 logG= -0.013106 TDE= -0.100309 logGD-logG0= -0.001316 tlogG= -0.013040 logG= -0.014356 Density= 0.111560 ETOT(band)= -0.055914 trlgG= -0.071514 logG= -0.014356 TDE= -0.132327 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005386 tlogG= -0.098822 logG= -0.104208 Density= 0.575587 ETOT(band)= -0.412008 trlgG= -0.519732 logG= -0.104208 TDE= -0.803356 logGD-logG0= -0.002738 tlogG= -0.048773 logG= -0.051511 Density= 0.288104 ETOT(band)= -0.205211 trlgG= -0.258966 logG= -0.051511 TDE= -0.401580 37) Finished k-point 75 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000884 tlogG= -0.016598 logG= -0.017482 Density= 0.095831 ETOT(band)= -0.068867 trlgG= -0.086716 logG= -0.017482 TDE= -0.133805 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001159 tlogG= -0.013703 logG= -0.014863 Density= 0.101537 ETOT(band)= -0.063075 trlgG= -0.079112 logG= -0.014863 TDE= -0.132665 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000901 tlogG= -0.016344 logG= -0.017245 Density= 0.095987 ETOT(band)= -0.068519 trlgG= -0.086445 logG= -0.017245 TDE= -0.133876 logGD-logG0= -0.000982 tlogG= -0.014791 logG= -0.015773 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.098068 ETOT(band)= -0.065900 trlgG= -0.082963 logG= -0.015773 TDE= -0.133268 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002694 tlogG= -0.049665 logG= -0.052358 Density= 0.287702 ETOT(band)= -0.206134 trlgG= -0.260103 logG= -0.052358 TDE= -0.401599 logGD-logG0= -0.005383 tlogG= -0.099083 logG= -0.104467 Density= 0.575495 ETOT(band)= -0.412216 trlgG= -0.520058 logG= -0.104467 TDE= -0.803361 logGD-logG0= -0.002701 tlogG= -0.049468 logG= -0.052170 Density= 0.287780 ETOT(band)= -0.205968 trlgG= -0.259903 logG= -0.052170 TDE= -0.401640 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.003610 tlogG= -0.040396 logG= -0.044006 Density= 0.316207 ETOT(band)= -0.180909 trlgG= -0.228517 logG= -0.044006 TDE= -0.397572 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002687 tlogG= -0.049780 logG= -0.052467 Density= 0.287663 ETOT(band)= -0.206303 trlgG= -0.260295 logG= -0.052467 TDE= -0.401657 logGD-logG0= -0.002674 tlogG= -0.049646 logG= -0.052320 Density= 0.287647 ETOT(band)= -0.206334 trlgG= -0.260109 logG= -0.052320 TDE= -0.401607 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001459 tlogG= -0.023561 logG= -0.025020 logGD-logG0= -0.003471 tlogG= -0.041175 logG= -0.044646 Density= 0.318411 ETOT(band)= -0.179968 trlgG= -0.228150 logG= -0.044646 TDE= -0.398050 Density= 0.146375 ETOT(band)= -0.100594 trlgG= -0.126815 logG= -0.025020 TDE= -0.200423 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002654 tlogG= -0.049874 logG= -0.052528 Density= 0.287475 ETOT(band)= -0.206677 trlgG= -0.260286 logG= -0.052528 TDE= -0.401459 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002709 tlogG= -0.049321 logG= -0.052030 Density= 0.287820 ETOT(band)= -0.205777 trlgG= -0.259657 logG= -0.052030 TDE= -0.401560 logGD-logG0= -0.002981 tlogG= -0.046736 logG= -0.049718 Density= 0.294824 ETOT(band)= -0.199514 trlgG= -0.251684 logG= -0.049718 TDE= -0.400619 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003068 tlogG= -0.046255 logG= -0.049323 Density= 0.307534 ETOT(band)= -0.190648 trlgG= -0.242576 logG= -0.049323 TDE= -0.400470 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003068 tlogG= -0.043734 logG= -0.046802 Density= 0.295243 ETOT(band)= -0.196667 trlgG= -0.247252 logG= -0.046802 TDE= -0.399386 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003153 tlogG= -0.044262 logG= -0.047416 Density= 0.308293 ETOT(band)= -0.188424 trlgG= -0.239274 logG= -0.047416 TDE= -0.399587 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002631 tlogG= -0.049897 logG= -0.052528 Density= 0.287285 ETOT(band)= -0.206876 trlgG= -0.260220 logG= -0.052528 TDE= -0.401265 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002858 tlogG= -0.047399 logG= -0.050256 Density= 0.292146 ETOT(band)= -0.201711 trlgG= -0.254368 logG= -0.050256 TDE= -0.400960 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002954 tlogG= -0.046166 logG= -0.049121 Density= 0.293124 ETOT(band)= -0.200114 trlgG= -0.252086 logG= -0.049121 TDE= -0.400472 20) Finished k-point 41 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002672 tlogG= -0.049801 logG= -0.052472 Density= 0.287593 ETOT(band)= -0.206490 trlgG= -0.260316 logG= -0.052472 TDE= -0.401624 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002824 tlogG= -0.046425 logG= -0.049249 Density= 0.289168 ETOT(band)= -0.202439 trlgG= -0.255191 logG= -0.049249 TDE= -0.400784 logGD-logG0= -0.002817 tlogG= -0.047727 logG= -0.050545 Density= 0.290992 ETOT(band)= -0.202632 trlgG= -0.255627 logG= -0.050545 TDE= -0.401153 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006043 tlogG= -0.091464 logG= -0.097507 Density= 0.591230 ETOT(band)= -0.396237 trlgG= -0.499554 logG= -0.097507 TDE= -0.800419 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002787 tlogG= -0.047342 logG= -0.050129 Density= 0.288531 ETOT(band)= -0.203626 trlgG= -0.256713 logG= -0.050129 TDE= -0.400997 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002660 tlogG= -0.049974 logG= -0.052634 Density= 0.287492 ETOT(band)= -0.206715 trlgG= -0.260492 logG= -0.052634 TDE= -0.401571 logGD-logG0= -0.005782 tlogG= -0.092964 logG= -0.098746 Density= 0.585154 ETOT(band)= -0.401278 trlgG= -0.505680 logG= -0.098746 TDE= -0.801212 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005556 tlogG= -0.095830 logG= -0.101387 logGD-logG0= -0.002668 tlogG= -0.049654 logG= -0.052322 Density= 0.287622 ETOT(band)= -0.206365 trlgG= -0.260078 logG= -0.052322 TDE= -0.401557 Density= 0.577240 ETOT(band)= -0.408202 trlgG= -0.514816 logG= -0.101387 TDE= -0.802375 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002644 tlogG= -0.049959 logG= -0.052603 Density= 0.287385 ETOT(band)= -0.206827 trlgG= -0.260355 logG= -0.052603 TDE= -0.401392 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002777 tlogG= -0.048029 logG= -0.050806 Density= 0.288799 ETOT(band)= -0.204134 trlgG= -0.257545 logG= -0.050806 TDE= -0.401332 logGD-logG0= -0.002687 tlogG= -0.049462 logG= -0.052149 logGD-logG0= -0.002828 tlogG= -0.046559 logG= -0.049386 Density= 0.289649 ETOT(band)= -0.202296 trlgG= -0.255024 logG= -0.049386 TDE= -0.400803 Density= 0.287760 ETOT(band)= -0.206070 trlgG= -0.259910 logG= -0.052149 TDE= -0.401654 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002730 tlogG= -0.048752 logG= -0.051482 Density= 0.288008 ETOT(band)= -0.205174 trlgG= -0.258860 logG= -0.051482 TDE= -0.401437 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005661 tlogG= -0.092822 logG= -0.098483 Density= 0.578562 ETOT(band)= -0.404725 trlgG= -0.509899 logG= -0.098483 TDE= -0.801252 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002775 tlogG= -0.047635 logG= -0.050410 Density= 0.288476 ETOT(band)= -0.203933 trlgG= -0.257211 logG= -0.050410 TDE= -0.401177 logGD-logG0= -0.006305 tlogG= -0.086325 logG= -0.092630 Density= 0.601265 ETOT(band)= -0.385361 trlgG= -0.485558 logG= -0.092630 TDE= -0.798062 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.005481 tlogG= -0.097227 logG= -0.102708 logGD-logG0= -0.002718 tlogG= -0.049028 logG= -0.051746 Density= 0.287977 ETOT(band)= -0.205533 trlgG= -0.259361 logG= -0.051746 TDE= -0.401654 Density= 0.576152 ETOT(band)= -0.410042 trlgG= -0.517314 logG= -0.102708 TDE= -0.802819 logGD-logG0= -0.005627 tlogG= -0.093536 logG= -0.099163 Density= 0.578000 ETOT(band)= -0.405699 trlgG= -0.511396 logG= -0.099163 TDE= -0.801690 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002721 tlogG= -0.048942 logG= -0.051664 Density= 0.287968 ETOT(band)= -0.205395 trlgG= -0.259177 logG= -0.051664 TDE= -0.401547 logGD-logG0= -0.005696 tlogG= -0.093711 logG= -0.099407 logGD-logG0= -0.005530 tlogG= -0.096374 logG= -0.101905 Density= 0.583132 ETOT(band)= -0.403031 trlgG= -0.508155 logG= -0.099407 TDE= -0.801664 Density= 0.576793 ETOT(band)= -0.408978 trlgG= -0.515955 logG= -0.101905 TDE= -0.802695 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002709 tlogG= -0.049267 logG= -0.051976 Density= 0.287873 ETOT(band)= -0.205791 trlgG= -0.259681 logG= -0.051976 TDE= -0.401674 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005890 tlogG= -0.089332 logG= -0.095222 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.001320 tlogG= -0.024950 logG= -0.026270 Density= 0.143683 ETOT(band)= -0.103403 trlgG= -0.130108 logG= -0.026270 TDE= -0.200652 Density= 0.587048 ETOT(band)= -0.396798 trlgG= -0.499468 logG= -0.095222 TDE= -0.799800 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 22) Finished k-point 45 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.005992 tlogG= -0.088322 logG= -0.094314 Density= 0.588976 ETOT(band)= -0.394853 trlgG= -0.496632 logG= -0.094314 TDE= -0.799170 logGD-logG0= -0.005462 tlogG= -0.097640 logG= -0.103102 Density= 0.576053 ETOT(band)= -0.410517 trlgG= -0.518005 logG= -0.103102 TDE= -0.803049 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002755 tlogG= -0.047972 logG= -0.050726 Density= 0.288421 ETOT(band)= -0.204291 trlgG= -0.257775 logG= -0.050726 TDE= -0.401388 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002726 tlogG= -0.048577 logG= -0.051304 Density= 0.288163 ETOT(band)= -0.205004 trlgG= -0.258694 logG= -0.051304 TDE= -0.401555 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005456 tlogG= -0.097420 logG= -0.102877 Density= 0.576179 ETOT(band)= -0.410307 trlgG= -0.517768 logG= -0.102877 TDE= -0.803121 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005517 tlogG= -0.096190 logG= -0.101707 Density= 0.576726 ETOT(band)= -0.408874 trlgG= -0.515884 logG= -0.101707 TDE= -0.802776 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000109 tlogG= -0.002074 logG= -0.002183 Density= 0.083761 ETOT(band)= -0.060342 trlgG= -0.075877 logG= -0.002183 TDE= -0.016718 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.000929 tlogG= -0.015736 logG= -0.016665 Density= 0.168142 ETOT(band)= -0.119455 trlgG= -0.150662 logG= -0.016665 TDE= -0.133707 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000672 tlogG= -0.012446 logG= -0.013119 Density= 0.359618 ETOT(band)= -0.257698 trlgG= -0.325168 logG= -0.013119 TDE= -0.100403 logGD-logG0= -0.002689 tlogG= -0.049531 logG= -0.052220 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 Density= 0.863330 ETOT(band)= -0.618155 trlgG= -0.779759 logG= -0.052220 TDE= -0.401689 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001311 tlogG= -0.024917 logG= -0.026229 Density= 0.239352 ETOT(band)= -0.172405 trlgG= -0.216817 logG= -0.026229 TDE= -0.200623 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002674 tlogG= -0.049909 logG= -0.052583 Density= 0.575220 ETOT(band)= -0.412952 trlgG= -0.520835 logG= -0.052583 TDE= -0.401668 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000670 tlogG= -0.012472 logG= -0.013142 Density= 0.359569 ETOT(band)= -0.257908 trlgG= -0.325402 logG= -0.013142 TDE= -0.100414 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002692 tlogG= -0.049664 logG= -0.052355 Density= 0.575486 ETOT(band)= -0.412147 trlgG= -0.520052 logG= -0.052355 TDE= -0.401651 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002688 tlogG= -0.049658 logG= -0.052346 Density= 0.863196 ETOT(band)= -0.618458 trlgG= -0.780241 logG= -0.052346 TDE= -0.401690 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002699 tlogG= -0.049540 logG= -0.052238 Density= 0.575564 ETOT(band)= -0.411782 trlgG= -0.519601 logG= -0.052238 TDE= -0.401588 logGD-logG0= -0.003767 tlogG= -0.039771 logG= -0.043538 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 Density= 0.431399 ETOT(band)= -0.234023 trlgG= -0.296817 logG= -0.043538 TDE= -0.397274 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002643 tlogG= -0.049871 logG= -0.052513 Density= 0.383231 ETOT(band)= -0.275617 trlgG= -0.346884 logG= -0.052513 TDE= -0.401305 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003244 tlogG= -0.042333 logG= -0.045577 Density= 0.404501 ETOT(band)= -0.254152 trlgG= -0.319225 logG= -0.045577 TDE= -0.398674 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.001356 tlogG= -0.024587 logG= -0.025944 Density= 0.431935 ETOT(band)= -0.308385 trlgG= -0.389144 logG= -0.025944 TDE= -0.200839 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000657 tlogG= -0.012474 logG= -0.013130 Density= 0.359099 ETOT(band)= -0.258600 trlgG= -0.325280 logG= -0.013130 TDE= -0.100318 57) Finished k-point 116 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000664 tlogG= -0.012507 logG= -0.013171 Density= 0.359356 ETOT(band)= -0.258413 trlgG= -0.325632 logG= -0.013171 TDE= -0.100390 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001386 tlogG= -0.024116 logG= -0.025501 Density= 0.433149 ETOT(band)= -0.306321 trlgG= -0.386480 logG= -0.025501 TDE= -0.200698 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002685 tlogG= -0.049404 logG= -0.052089 Density= 0.383763 ETOT(band)= -0.274542 trlgG= -0.346263 logG= -0.052089 TDE= -0.401633 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001335 tlogG= -0.024866 logG= -0.026201 Density= 0.431448 ETOT(band)= -0.309557 trlgG= -0.390214 logG= -0.026201 TDE= -0.200798 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002873 tlogG= -0.045485 logG= -0.048358 Density= 0.388670 ETOT(band)= -0.266662 trlgG= -0.335862 logG= -0.048358 TDE= -0.400348 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002647 tlogG= -0.049925 logG= -0.052572 Density= 0.574895 ETOT(band)= -0.413445 trlgG= -0.520600 logG= -0.052572 TDE= -0.401407 logGD-logG0= -0.003065 tlogG= -0.043417 logG= -0.046483 Density= 0.445738 ETOT(band)= -0.294570 trlgG= -0.370866 logG= -0.046483 TDE= -0.399279 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000660 tlogG= -0.012497 logG= -0.013157 Density= 0.359223 ETOT(band)= -0.258547 trlgG= -0.325450 logG= -0.013157 TDE= -0.100344 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002753 tlogG= -0.048088 logG= -0.050841 Density= 0.576450 ETOT(band)= -0.409646 trlgG= -0.516916 logG= -0.050841 TDE= -0.401397 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002664 tlogG= -0.049906 logG= -0.052570 Density= 0.575123 ETOT(band)= -0.413118 trlgG= -0.520729 logG= -0.052570 TDE= -0.401582 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002759 tlogG= -0.048381 logG= -0.051140 Density= 0.865119 ETOT(band)= -0.613684 trlgG= -0.774227 logG= -0.051140 TDE= -0.401406 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.003149 tlogG= -0.042831 logG= -0.045980 Density= 0.595999 ETOT(band)= -0.391970 trlgG= -0.493648 logG= -0.045980 TDE= -0.398916 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002735 tlogG= -0.048787 logG= -0.051521 Density= 0.864172 ETOT(band)= -0.615249 trlgG= -0.776220 logG= -0.051521 TDE= -0.401452 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.003000 tlogG= -0.045071 logG= -0.048071 Density= 0.588877 ETOT(band)= -0.395492 trlgG= -0.497474 logG= -0.048071 TDE= -0.400002 logGD-logG0= -0.003100 tlogG= -0.045473 logG= -0.048573 logGD-logG0= -0.001529 tlogG= -0.023262 logG= -0.024790 Density= 0.461259 ETOT(band)= -0.286115 trlgG= -0.364077 logG= -0.024790 TDE= -0.200291 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.616091 ETOT(band)= -0.378223 trlgG= -0.480584 logG= -0.048573 TDE= -0.400132 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003233 tlogG= -0.042762 logG= -0.045995 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.628612 ETOT(band)= -0.365924 trlgG= -0.463996 logG= -0.045995 TDE= -0.398866 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002634 tlogG= -0.049895 logG= -0.052529 Density= 0.430999 ETOT(band)= -0.310249 trlgG= -0.390298 logG= -0.052529 TDE= -0.401255 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002881 tlogG= -0.045308 logG= -0.048189 Density= 0.582668 ETOT(band)= -0.402361 trlgG= -0.506952 logG= -0.048189 TDE= -0.400150 logGD-logG0= -0.005315 tlogG= -0.099638 logG= -0.104954 Density= 0.862651 ETOT(band)= -0.619561 trlgG= -0.780549 logG= -0.104954 TDE= -0.802973 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002927 tlogG= -0.046878 logG= -0.049805 Density= 0.585966 ETOT(band)= -0.401031 trlgG= -0.505329 logG= -0.049805 TDE= -0.400756 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006719 tlogG= -0.083346 logG= -0.090065 Density= 0.929634 ETOT(band)= -0.557075 trlgG= -0.701792 logG= -0.090065 TDE= -0.796538 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002726 tlogG= -0.048985 logG= -0.051711 Density= 0.864024 ETOT(band)= -0.615956 trlgG= -0.777246 logG= -0.051711 TDE= -0.401566 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.005982 tlogG= -0.092954 logG= -0.098936 Density= 1.181223 ETOT(band)= -0.794588 trlgG= -1.001981 logG= -0.098936 TDE= -0.801030 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005732 tlogG= -0.094327 logG= -0.100060 Density= 1.169660 ETOT(band)= -0.804157 trlgG= -1.013646 logG= -0.100060 TDE= -0.801747 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002858 tlogG= -0.045736 logG= -0.048595 Density= 0.580854 ETOT(band)= -0.404045 trlgG= -0.509326 logG= -0.048595 TDE= -0.400415 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005515 tlogG= -0.096216 logG= -0.101731 Density= 0.865016 ETOT(band)= -0.612576 trlgG= -0.772519 logG= -0.101731 TDE= -0.802512 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002772 tlogG= -0.048119 logG= -0.050891 Density= 0.865784 ETOT(band)= -0.612529 trlgG= -0.772537 logG= -0.050891 TDE= -0.401252 logGD-logG0= -0.005428 tlogG= -0.098349 logG= -0.103777 Density= 0.863741 ETOT(band)= -0.616419 trlgG= -0.777768 logG= -0.103777 TDE= -0.803062 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002796 tlogG= -0.047446 logG= -0.050241 Density= 0.578751 ETOT(band)= -0.405721 trlgG= -0.511602 logG= -0.050241 TDE= -0.401135 logGD-logG0= -0.005572 tlogG= -0.094674 logG= -0.100246 Density= 0.866540 ETOT(band)= -0.609545 trlgG= -0.768679 logG= -0.100246 TDE= -0.802276 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005595 tlogG= -0.094640 logG= -0.100235 Density= 1.156269 ETOT(band)= -0.811586 trlgG= -1.022832 logG= -0.100235 TDE= -0.801958 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005351 tlogG= -0.099426 logG= -0.104778 Density= 0.863034 ETOT(band)= -0.618832 trlgG= -0.780339 logG= -0.104778 TDE= -0.803273 logGD-logG0= -0.005566 tlogG= -0.095245 logG= -0.100811 Density= 1.155228 ETOT(band)= -0.813400 trlgG= -1.025587 logG= -0.100811 TDE= -0.802317 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005650 tlogG= -0.095004 logG= -0.100654 Density= 1.165406 ETOT(band)= -0.807722 trlgG= -1.018617 logG= -0.100654 TDE= -0.802146 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002706 tlogG= -0.049212 logG= -0.051917 Density= 0.575754 ETOT(band)= -0.411520 trlgG= -0.519270 logG= -0.051917 TDE= -0.401646 logGD-logG0= -0.006143 tlogG= -0.089158 logG= -0.095301 Density= 1.195176 ETOT(band)= -0.777818 trlgG= -0.980080 logG= -0.095301 TDE= -0.799399 logGD-logG0= -0.005413 tlogG= -0.098663 logG= -0.104076 Density= 0.863622 ETOT(band)= -0.617033 trlgG= -0.778610 logG= -0.104076 TDE= -0.803233 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005494 tlogG= -0.096701 logG= -0.102194 Density= 0.864866 ETOT(band)= -0.613410 trlgG= -0.773835 logG= -0.102194 TDE= -0.802803 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005775 tlogG= -0.091740 logG= -0.097515 Density= 1.171584 ETOT(band)= -0.797235 trlgG= -1.003998 logG= -0.097515 TDE= -0.800877 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005867 tlogG= -0.090874 logG= -0.096741 Density= 1.175232 ETOT(band)= -0.793605 trlgG= -0.998688 logG= -0.096741 TDE= -0.800337 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005412 tlogG= -0.098159 logG= -0.103571 Density= 0.864046 ETOT(band)= -0.616212 trlgG= -0.777522 logG= -0.103571 TDE= -0.803289 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002731 tlogG= -0.048608 logG= -0.051340 Density= 0.576571 ETOT(band)= -0.409332 trlgG= -0.516522 logG= -0.051340 TDE= -0.401563 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005429 tlogG= -0.098245 logG= -0.103673 Density= 1.152033 ETOT(band)= -0.821557 trlgG= -1.036721 logG= -0.103673 TDE= -0.803292 38) Finished k-point 78 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005486 tlogG= -0.097195 logG= -0.102682 Density= 1.153065 ETOT(band)= -0.818898 trlgG= -1.033297 logG= -0.102682 TDE= -0.803069 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Sum of eigenvalues= -386.640190734181 eV TrLogG= -487.412653852387 eV Ratio to renormalize= 1.000469856596 rho-rho_expected=-0.019255073312 nargs= 1 argi=dmft2.def 8) Finished k-point number 17 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 4) Finished k-point number 9 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 18) Finished k-point number 38 2 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 39) Finished k-point number 80 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 23) Finished k-point number 48 2 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 27) Finished k-point number 56 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 14) Finished k-point number 29 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 12) Finished k-point number 26 2 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 34) Finished k-point number 70 2 with #bands= 19 9) Finished k-point number 19 1 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 48) Finished k-point number 97 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 36) Finished k-point number 74 2 with #bands= 20 46) Finished k-point number 93 1 with #bands= 19 2) Finished k-point number 5 1 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 24) Finished k-point number 49 1 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 49) Finished k-point number 100 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 19 3) Finished k-point number 7 1 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 57) Finished k-point number 115 1 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 3) Finished k-point number 8 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 32) Finished k-point number 65 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 50) Finished k-point number 101 1 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 25) Finished k-point number 51 1 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 50) Finished k-point number 102 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 0) Finished k-point number 1 1 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.864706292624330 0.871859439532016 0.850058049535738 18) Finished k-point number 37 1 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 21) Finished k-point number 43 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 41) Finished k-point number 83 1 with #bands= 19 50) Finished k-point number 101 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 19) Finished k-point number 39 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 46) Finished k-point number 93 1 with #bands= 19 37) Finished k-point number 75 1 with #bands= 19 31) Finished k-point number 63 1 with #bands= 19 20) Finished k-point number 41 1 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 7) Finished k-point number 15 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 1) Finished k-point number 3 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 17) Finished k-point number 36 2 with #bands= 19 16) Finished k-point number 34 2 with #bands= 19 30) Finished k-point number 62 2 with #bands= 19 21) Finished k-point number 44 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 26) Finished k-point number 54 2 with #bands= 19 41) Finished k-point number 84 2 with #bands= 19 19) Finished k-point number 40 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 34) Finished k-point number 70 2 with #bands= 19 7) Finished k-point number 16 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 44) Finished k-point number 90 2 with #bands= 19 4) Finished k-point number 10 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 39) Finished k-point number 80 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 9.16754136100830 Density= 41.0189687332937 41.0000000000000 EF 8.89542752889472 Density= 40.6865834955918 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.67380192 0.65380192 0.189687E-01 -0.313417 1 0.67266055 0.67380192 -0.972050E-02 0.189687E-01 2 0.67304727 0.67380192 -0.144441E-02 0.189687E-01 3 0.67310999 0.67380192 -0.136460E-04 0.189687E-01 4 0.67311058 0.67380192 -0.111706E-06 0.189687E-01 5 0.67311059 0.67380192 -0.930811E-11 0.189687E-01 Absolute convergence of |F(X)|. Difference in EF= -0.0094061167 EF set to : 9.1581352443 new EF (no-mixing): 9.1581352443 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.000875 tlogG= -0.016577 logG= -0.017452 Density= 0.095745 ETOT(band)= -0.068964 trlgG= -0.086692 logG= -0.017452 TDE= -0.133687 logGD-logG0= -0.002679 tlogG= -0.049694 logG= -0.052374 Density= 0.287625 ETOT(band)= -0.206435 trlgG= -0.260252 logG= -0.052374 TDE= -0.401481 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001317 tlogG= -0.012994 logG= -0.014311 Density= 0.111563 ETOT(band)= -0.055921 trlgG= -0.071475 logG= -0.014311 TDE= -0.132258 logGD-logG0= -0.000655 tlogG= -0.012421 logG= -0.013076 Density= 0.071794 ETOT(band)= -0.051725 trlgG= -0.065012 logG= -0.013076 TDE= -0.100262 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002739 tlogG= -0.048651 logG= -0.051390 Density= 0.288097 ETOT(band)= -0.205225 trlgG= -0.258855 logG= -0.051390 TDE= -0.401386 logGD-logG0= -0.000884 tlogG= -0.016558 logG= -0.017442 Density= 0.095830 ETOT(band)= -0.068871 trlgG= -0.086679 logG= -0.017442 TDE= -0.133741 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 37) Finished k-point 75 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.005388 tlogG= -0.098580 logG= -0.103968 Density= 0.575576 ETOT(band)= -0.412033 trlgG= -0.519511 logG= -0.103968 TDE= -0.802969 logGD-logG0= -0.000668 tlogG= -0.012470 logG= -0.013137 Density= 0.071886 ETOT(band)= -0.051662 trlgG= -0.065118 logG= -0.013137 TDE= -0.100368 logGD-logG0= -0.000901 tlogG= -0.016304 logG= -0.017205 Density= 0.095985 ETOT(band)= -0.068523 trlgG= -0.086408 logG= -0.017205 TDE= -0.133812 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001160 tlogG= -0.013658 logG= -0.014818 Density= 0.101539 ETOT(band)= -0.063076 trlgG= -0.079068 logG= -0.014818 TDE= -0.132597 logGD-logG0= -0.002710 tlogG= -0.049146 logG= -0.051856 Density= 0.287867 ETOT(band)= -0.205804 trlgG= -0.259570 logG= -0.051856 TDE= -0.401481 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.005385 tlogG= -0.098841 logG= -0.104227 Density= 0.575483 ETOT(band)= -0.412242 trlgG= -0.519836 logG= -0.104227 TDE= -0.802974 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002710 tlogG= -0.049199 logG= -0.051909 Density= 0.287813 ETOT(band)= -0.205790 trlgG= -0.259544 logG= -0.051909 TDE= -0.401366 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.003612 tlogG= -0.040258 logG= -0.043870 Density= 0.316324 ETOT(band)= -0.180844 trlgG= -0.228318 logG= -0.043870 TDE= -0.397369 logGD-logG0= -0.001460 tlogG= -0.023498 logG= -0.024958 Density= 0.146373 ETOT(band)= -0.100600 trlgG= -0.126758 logG= -0.024958 TDE= -0.200325 logGD-logG0= -0.000982 tlogG= -0.014748 logG= -0.015730 Density= 0.098063 ETOT(band)= -0.065905 trlgG= -0.082926 logG= -0.015730 TDE= -0.133203 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002983 tlogG= -0.046610 logG= -0.049593 Density= 0.294900 ETOT(band)= -0.199474 trlgG= -0.251515 logG= -0.049593 TDE= -0.400422 logGD-logG0= -0.002675 tlogG= -0.049525 logG= -0.052200 Density= 0.287642 ETOT(band)= -0.206346 trlgG= -0.259998 logG= -0.052200 TDE= -0.401413 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003069 tlogG= -0.043604 logG= -0.046673 Density= 0.295231 ETOT(band)= -0.196680 trlgG= -0.247136 logG= -0.046673 TDE= -0.399187 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003070 tlogG= -0.046129 logG= -0.049199 Density= 0.307530 ETOT(band)= -0.190670 trlgG= -0.242470 logG= -0.049199 TDE= -0.400273 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003155 tlogG= -0.044133 logG= -0.047288 Density= 0.308288 ETOT(band)= -0.188445 trlgG= -0.239164 logG= -0.047288 TDE= -0.399388 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003473 tlogG= -0.041039 logG= -0.044512 Density= 0.318413 ETOT(band)= -0.179984 trlgG= -0.228032 logG= -0.044512 TDE= -0.397847 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002859 tlogG= -0.047274 logG= -0.050133 Density= 0.292142 ETOT(band)= -0.201723 trlgG= -0.254253 logG= -0.050133 TDE= -0.400764 logGD-logG0= -0.002645 tlogG= -0.049839 logG= -0.052484 Density= 0.287380 ETOT(band)= -0.206839 trlgG= -0.260246 logG= -0.052484 TDE= -0.401200 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001320 tlogG= -0.024890 logG= -0.026210 Density= 0.143681 ETOT(band)= -0.103408 trlgG= -0.130054 logG= -0.026210 TDE= -0.200557 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002632 tlogG= -0.049777 logG= -0.052408 Density= 0.287280 ETOT(band)= -0.206887 trlgG= -0.260115 logG= -0.052408 TDE= -0.401078 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006046 tlogG= -0.091209 logG= -0.097255 Density= 0.591409 ETOT(band)= -0.396135 trlgG= -0.499193 logG= -0.097255 TDE= -0.800023 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002825 tlogG= -0.046300 logG= -0.049125 Density= 0.289162 ETOT(band)= -0.202448 trlgG= -0.255075 logG= -0.049125 TDE= -0.400588 logGD-logG0= -0.002668 tlogG= -0.049533 logG= -0.052202 Density= 0.287617 ETOT(band)= -0.206377 trlgG= -0.259967 logG= -0.052202 TDE= -0.401363 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005785 tlogG= -0.092712 logG= -0.098496 Density= 0.585146 ETOT(band)= -0.401301 trlgG= -0.505447 logG= -0.098496 TDE= -0.800819 logGD-logG0= -0.002687 tlogG= -0.049659 logG= -0.052346 logGD-logG0= -0.002818 tlogG= -0.047604 logG= -0.050422 Density= 0.287657 ETOT(band)= -0.206316 trlgG= -0.260184 logG= -0.052346 TDE= -0.401463 Density= 0.290986 ETOT(band)= -0.202645 trlgG= -0.255514 logG= -0.050422 TDE= -0.400958 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002788 tlogG= -0.047218 logG= -0.050006 Density= 0.288524 ETOT(band)= -0.203638 trlgG= -0.256598 logG= -0.050006 TDE= -0.400801 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005892 tlogG= -0.089075 logG= -0.094966 Density= 0.587032 ETOT(band)= -0.396820 trlgG= -0.499234 logG= -0.094966 TDE= -0.799405 logGD-logG0= -0.002755 tlogG= -0.047849 logG= -0.050604 logGD-logG0= -0.002828 tlogG= -0.046434 logG= -0.049262 Density= 0.289641 ETOT(band)= -0.202308 trlgG= -0.254910 logG= -0.049262 TDE= -0.400608 logGD-logG0= -0.002727 tlogG= -0.048455 logG= -0.051182 Density= 0.288158 ETOT(band)= -0.205016 trlgG= -0.258582 logG= -0.051182 TDE= -0.401361 Density= 0.288416 ETOT(band)= -0.204302 trlgG= -0.257662 logG= -0.050604 TDE= -0.401194 22) Finished k-point 45 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005558 tlogG= -0.095583 logG= -0.101141 Density= 0.577220 ETOT(band)= -0.408230 trlgG= -0.514591 logG= -0.101141 TDE= -0.801984 logGD-logG0= -0.002661 tlogG= -0.049853 logG= -0.052514 Density= 0.287486 ETOT(band)= -0.206728 trlgG= -0.260383 logG= -0.052514 TDE= -0.401379 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002778 tlogG= -0.047906 logG= -0.050684 logGD-logG0= -0.002655 tlogG= -0.049753 logG= -0.052408 Density= 0.288790 ETOT(band)= -0.204148 trlgG= -0.257434 logG= -0.050684 TDE= -0.401137 Density= 0.287470 ETOT(band)= -0.206689 trlgG= -0.260176 logG= -0.052408 TDE= -0.401267 logGD-logG0= -0.002694 tlogG= -0.049543 logG= -0.052237 Density= 0.287696 ETOT(band)= -0.206146 trlgG= -0.259991 logG= -0.052237 TDE= -0.401405 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002731 tlogG= -0.048630 logG= -0.051360 Density= 0.288001 ETOT(band)= -0.205186 trlgG= -0.258746 logG= -0.051360 TDE= -0.401242 logGD-logG0= -0.002775 tlogG= -0.047511 logG= -0.050287 Density= 0.288469 ETOT(band)= -0.203944 trlgG= -0.257097 logG= -0.050287 TDE= -0.400982 logGD-logG0= -0.002688 tlogG= -0.049341 logG= -0.052029 Density= 0.287755 ETOT(band)= -0.206083 trlgG= -0.259799 logG= -0.052029 TDE= -0.401461 logGD-logG0= -0.005483 tlogG= -0.096981 logG= -0.102464 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.576138 ETOT(band)= -0.410067 trlgG= -0.517088 logG= -0.102464 TDE= -0.802429 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002956 tlogG= -0.046040 logG= -0.048996 logGD-logG0= -0.005663 tlogG= -0.092570 logG= -0.098233 Density= 0.578540 ETOT(band)= -0.404750 trlgG= -0.509670 logG= -0.098233 TDE= -0.800859 logGD-logG0= -0.002702 tlogG= -0.049347 logG= -0.052049 Density= 0.287774 ETOT(band)= -0.205981 trlgG= -0.259791 logG= -0.052049 TDE= -0.401446 Density= 0.293120 ETOT(band)= -0.200126 trlgG= -0.251969 logG= -0.048996 TDE= -0.400275 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 20) Finished k-point 41 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005994 tlogG= -0.088063 logG= -0.094056 Density= 0.588953 ETOT(band)= -0.394878 trlgG= -0.496398 logG= -0.094056 TDE= -0.798773 logGD-logG0= -0.005629 tlogG= -0.093286 logG= -0.098915 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002673 tlogG= -0.049680 logG= -0.052353 Density= 0.287588 ETOT(band)= -0.206503 trlgG= -0.260205 logG= -0.052353 TDE= -0.401431 Density= 0.577984 ETOT(band)= -0.405722 trlgG= -0.511166 logG= -0.098915 TDE= -0.801299 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005458 tlogG= -0.097176 logG= -0.102634 Density= 0.576167 ETOT(band)= -0.410331 trlgG= -0.517544 logG= -0.102634 TDE= -0.802734 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006308 tlogG= -0.086062 logG= -0.092369 Density= 0.601469 ETOT(band)= -0.385239 trlgG= -0.485175 logG= -0.092369 TDE= -0.797661 logGD-logG0= -0.005519 tlogG= -0.095944 logG= -0.101463 Density= 0.576714 ETOT(band)= -0.408898 trlgG= -0.515659 logG= -0.101463 TDE= -0.802388 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002719 tlogG= -0.048907 logG= -0.051626 Density= 0.287971 ETOT(band)= -0.205546 trlgG= -0.259250 logG= -0.051626 TDE= -0.401460 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005698 tlogG= -0.093461 logG= -0.099159 Density= 0.583121 ETOT(band)= -0.403055 trlgG= -0.507925 logG= -0.099159 TDE= -0.801272 logGD-logG0= -0.002722 tlogG= -0.048820 logG= -0.051542 Density= 0.287962 ETOT(band)= -0.205407 trlgG= -0.259065 logG= -0.051542 TDE= -0.401353 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005463 tlogG= -0.097396 logG= -0.102859 Density= 0.576040 ETOT(band)= -0.410542 trlgG= -0.517781 logG= -0.102859 TDE= -0.802661 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005532 tlogG= -0.096128 logG= -0.101661 Density= 0.576778 ETOT(band)= -0.409005 trlgG= -0.515732 logG= -0.101661 TDE= -0.802306 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000109 tlogG= -0.002069 logG= -0.002178 Density= 0.083759 ETOT(band)= -0.060345 trlgG= -0.075846 logG= -0.002178 TDE= -0.016710 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.002690 tlogG= -0.049410 logG= -0.052100 Density= 0.863313 ETOT(band)= -0.618193 trlgG= -0.779428 logG= -0.052100 TDE= -0.401496 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002675 tlogG= -0.049788 logG= -0.052463 Density= 0.575208 ETOT(band)= -0.412978 trlgG= -0.520614 logG= -0.052463 TDE= -0.401474 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000929 tlogG= -0.015695 logG= -0.016624 Density= 0.168139 ETOT(band)= -0.119461 trlgG= -0.150596 logG= -0.016624 TDE= -0.133642 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001312 tlogG= -0.024857 logG= -0.026169 Density= 0.239348 ETOT(band)= -0.172415 trlgG= -0.216730 logG= -0.026169 TDE= -0.200530 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002700 tlogG= -0.049418 logG= -0.052117 Density= 0.575551 ETOT(band)= -0.411806 trlgG= -0.519376 logG= -0.052117 TDE= -0.401394 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002688 tlogG= -0.049538 logG= -0.052226 Density= 0.863178 ETOT(band)= -0.618497 trlgG= -0.779908 logG= -0.052226 TDE= -0.401497 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000671 tlogG= -0.012442 logG= -0.013112 Density= 0.359562 ETOT(band)= -0.257924 trlgG= -0.325262 logG= -0.013112 TDE= -0.100366 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003769 tlogG= -0.039632 logG= -0.043401 Density= 0.431407 ETOT(band)= -0.234040 trlgG= -0.296655 logG= -0.043401 TDE= -0.397069 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000672 tlogG= -0.012416 logG= -0.013088 Density= 0.359610 ETOT(band)= -0.257714 trlgG= -0.325027 logG= -0.013088 TDE= -0.100354 logGD-logG0= -0.002685 tlogG= -0.049283 logG= -0.051968 Density= 0.383756 ETOT(band)= -0.274558 trlgG= -0.346114 logG= -0.051968 TDE= -0.401440 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001386 tlogG= -0.024054 logG= -0.025440 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.433136 ETOT(band)= -0.306342 trlgG= -0.386314 logG= -0.025440 TDE= -0.200601 logGD-logG0= -0.000660 tlogG= -0.012467 logG= -0.013127 Density= 0.359217 ETOT(band)= -0.258562 trlgG= -0.325314 logG= -0.013127 TDE= -0.100296 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003066 tlogG= -0.043287 logG= -0.046353 Density= 0.445726 ETOT(band)= -0.294590 trlgG= -0.370693 logG= -0.046353 TDE= -0.399080 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.001336 tlogG= -0.024806 logG= -0.026141 Density= 0.431440 ETOT(band)= -0.309575 trlgG= -0.390048 logG= -0.026141 TDE= -0.200701 logGD-logG0= -0.003246 tlogG= -0.042200 logG= -0.045445 Density= 0.404505 ETOT(band)= -0.254159 trlgG= -0.319057 logG= -0.045445 TDE= -0.398473 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002644 tlogG= -0.049750 logG= -0.052394 Density= 0.383224 ETOT(band)= -0.275633 trlgG= -0.346737 logG= -0.052394 TDE= -0.401113 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001357 tlogG= -0.024527 logG= -0.025884 Density= 0.431926 ETOT(band)= -0.308405 trlgG= -0.388978 logG= -0.025884 TDE= -0.200743 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002692 tlogG= -0.049542 logG= -0.052235 Density= 0.575473 ETOT(band)= -0.412172 trlgG= -0.519829 logG= -0.052235 TDE= -0.401456 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000657 tlogG= -0.012443 logG= -0.013100 Density= 0.359093 ETOT(band)= -0.258615 trlgG= -0.325150 logG= -0.013100 TDE= -0.100272 57) Finished k-point 116 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002735 tlogG= -0.048664 logG= -0.051400 Density= 0.864151 ETOT(band)= -0.615286 trlgG= -0.775880 logG= -0.051400 TDE= -0.401257 logGD-logG0= -0.002874 tlogG= -0.045358 logG= -0.048232 Density= 0.388656 ETOT(band)= -0.266678 trlgG= -0.335709 logG= -0.048232 TDE= -0.400152 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002753 tlogG= -0.047965 logG= -0.050719 Density= 0.576438 ETOT(band)= -0.409671 trlgG= -0.516692 logG= -0.050719 TDE= -0.401203 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000664 tlogG= -0.012477 logG= -0.013142 Density= 0.359349 ETOT(band)= -0.258429 trlgG= -0.325495 logG= -0.013142 TDE= -0.100342 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003150 tlogG= -0.042699 logG= -0.045849 Density= 0.596075 ETOT(band)= -0.391936 trlgG= -0.493355 logG= -0.045849 TDE= -0.398716 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005317 tlogG= -0.099397 logG= -0.104714 Density= 0.862636 ETOT(band)= -0.619597 trlgG= -0.780216 logG= -0.104714 TDE= -0.802586 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002635 tlogG= -0.049774 logG= -0.052409 Density= 0.430992 ETOT(band)= -0.310267 trlgG= -0.390139 logG= -0.052409 TDE= -0.401068 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003001 tlogG= -0.044943 logG= -0.047944 Density= 0.588861 ETOT(band)= -0.395514 trlgG= -0.497239 logG= -0.047944 TDE= -0.399804 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002706 tlogG= -0.049090 logG= -0.051797 Density= 0.575742 ETOT(band)= -0.411546 trlgG= -0.519048 logG= -0.051797 TDE= -0.401453 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001529 tlogG= -0.023199 logG= -0.024729 Density= 0.461253 ETOT(band)= -0.286149 trlgG= -0.363918 logG= -0.024729 TDE= -0.200192 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003102 tlogG= -0.045346 logG= -0.048448 Density= 0.616082 ETOT(band)= -0.378265 trlgG= -0.480367 logG= -0.048448 TDE= -0.399934 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002882 tlogG= -0.045180 logG= -0.048062 Density= 0.582648 ETOT(band)= -0.402388 trlgG= -0.506725 logG= -0.048062 TDE= -0.399953 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006722 tlogG= -0.083077 logG= -0.089798 Density= 0.929904 ETOT(band)= -0.556923 trlgG= -0.701243 logG= -0.089798 TDE= -0.796134 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.005986 tlogG= -0.092701 logG= -0.098686 Density= 1.181559 ETOT(band)= -0.794400 trlgG= -1.001279 logG= -0.098686 TDE= -0.800635 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005735 tlogG= -0.094077 logG= -0.099812 Density= 1.169644 ETOT(band)= -0.804203 trlgG= -1.013181 logG= -0.099812 TDE= -0.801355 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002773 tlogG= -0.047996 logG= -0.050768 logGD-logG0= -0.005517 tlogG= -0.095969 logG= -0.101485 Density= 0.865755 ETOT(band)= -0.612570 trlgG= -0.772201 logG= -0.050768 TDE= -0.401056 Density= 0.864995 ETOT(band)= -0.612611 trlgG= -0.772176 logG= -0.101485 TDE= -0.802122 logGD-logG0= -0.002928 tlogG= -0.046752 logG= -0.049681 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.585959 ETOT(band)= -0.401055 trlgG= -0.505096 logG= -0.049681 TDE= -0.400560 logGD-logG0= -0.002760 tlogG= -0.048259 logG= -0.051019 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.865095 ETOT(band)= -0.613724 trlgG= -0.773892 logG= -0.051019 TDE= -0.401211 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002859 tlogG= -0.045609 logG= -0.048469 Density= 0.580839 ETOT(band)= -0.404070 trlgG= -0.509098 logG= -0.048469 TDE= -0.400218 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002648 tlogG= -0.049804 logG= -0.052452 Density= 0.574884 ETOT(band)= -0.413470 trlgG= -0.520381 logG= -0.052452 TDE= -0.401215 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005413 tlogG= -0.097916 logG= -0.103330 Density= 0.864030 ETOT(band)= -0.616248 trlgG= -0.777187 logG= -0.103330 TDE= -0.802902 logGD-logG0= -0.002664 tlogG= -0.049786 logG= -0.052450 Density= 0.575112 ETOT(band)= -0.413143 trlgG= -0.520509 logG= -0.052450 TDE= -0.401389 logGD-logG0= -0.002796 tlogG= -0.047322 logG= -0.050118 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.578734 ETOT(band)= -0.405746 trlgG= -0.511377 logG= -0.050118 TDE= -0.400940 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005430 tlogG= -0.098104 logG= -0.103534 Density= 0.863721 ETOT(band)= -0.616455 trlgG= -0.777429 logG= -0.103534 TDE= -0.802672 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005567 tlogG= -0.094998 logG= -0.100565 Density= 1.155196 ETOT(band)= -0.813448 trlgG= -1.025132 logG= -0.100565 TDE= -0.801927 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002732 tlogG= -0.048486 logG= -0.051218 Density= 0.576560 ETOT(band)= -0.409355 trlgG= -0.516297 logG= -0.051218 TDE= -0.401369 logGD-logG0= -0.002726 tlogG= -0.048863 logG= -0.051590 Density= 0.864005 ETOT(band)= -0.615994 trlgG= -0.776910 logG= -0.051590 TDE= -0.401372 logGD-logG0= -0.005573 tlogG= -0.094427 logG= -0.100000 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.866522 ETOT(band)= -0.609576 trlgG= -0.768335 logG= -0.100000 TDE= -0.801887 logGD-logG0= -0.005597 tlogG= -0.094391 logG= -0.099988 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 Density= 1.156226 ETOT(band)= -0.811639 trlgG= -1.022377 logG= -0.099988 TDE= -0.801566 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005777 tlogG= -0.091487 logG= -0.097264 logGD-logG0= -0.005496 tlogG= -0.096455 logG= -0.101950 Density= 0.864847 ETOT(band)= -0.613446 trlgG= -0.773495 logG= -0.101950 TDE= -0.802414 Density= 1.171557 ETOT(band)= -0.797278 trlgG= -1.003530 logG= -0.097264 TDE= -0.800483 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005353 tlogG= -0.099185 logG= -0.104538 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.863018 ETOT(band)= -0.618870 trlgG= -0.780007 logG= -0.104538 TDE= -0.802886 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003234 tlogG= -0.042630 logG= -0.045865 Density= 0.628589 ETOT(band)= -0.365969 trlgG= -0.463779 logG= -0.045865 TDE= -0.398665 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005869 tlogG= -0.090618 logG= -0.096487 Density= 1.175201 ETOT(band)= -0.793649 trlgG= -0.998217 logG= -0.096487 TDE= -0.799941 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005430 tlogG= -0.098002 logG= -0.103432 Density= 1.152009 ETOT(band)= -0.821608 trlgG= -1.036276 logG= -0.103432 TDE= -0.802905 38) Finished k-point 78 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005488 tlogG= -0.096951 logG= -0.102439 Density= 1.153039 ETOT(band)= -0.818948 trlgG= -1.032849 logG= -0.102439 TDE= -0.802681 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005652 tlogG= -0.094756 logG= -0.100408 Density= 1.165384 ETOT(band)= -0.807771 trlgG= -1.018161 logG= -0.100408 TDE= -0.801755 logGD-logG0= -0.005415 tlogG= -0.098420 logG= -0.103835 Density= 0.863604 ETOT(band)= -0.617071 trlgG= -0.778274 logG= -0.103835 TDE= -0.802845 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006146 tlogG= -0.088899 logG= -0.095045 Density= 1.195599 ETOT(band)= -0.777565 trlgG= -0.979306 logG= -0.095045 TDE= -0.799001 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Sum of eigenvalues= -386.653571881445 eV TrLogG= -487.188458307772 eV Ratio to renormalize= 1.000462641587 rho-rho_expected=-0.018959533603 nargs= 1 argi=dmft2.def 48) Finished k-point number 97 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 52) Finished k-point number 106 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 11) Finished k-point number 23 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 22) Finished k-point number 46 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 50) Finished k-point number 102 2 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 19 13) Finished k-point number 27 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 58) Finished k-point number 118 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 56) Finished k-point number 114 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 53) Finished k-point number 107 1 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 41) Finished k-point number 84 2 with #bands= 19 34) Finished k-point number 70 2 with #bands= 19 17) Finished k-point number 36 2 with #bands= 19 6) Finished k-point number 13 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 43) Finished k-point number 88 2 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 16) Finished k-point number 33 1 with #bands= 19 42) Finished k-point number 86 2 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 33) Finished k-point number 67 1 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 19 37) Finished k-point number 76 2 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 24) Finished k-point number 50 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 30) Finished k-point number 61 1 with #bands= 19 30) Finished k-point number 62 2 with #bands= 19 59) Finished k-point number 119 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 0) Finished k-point number 2 2 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.864713491629775 0.871873398551524 0.850054915666648 58) Finished k-point number 117 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 0) Finished k-point number 1 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 50) Finished k-point number 101 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 59) Finished k-point number 119 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 17) Finished k-point number 35 1 with #bands= 19 46) Finished k-point number 93 1 with #bands= 19 39) Finished k-point number 79 1 with #bands= 19 4) Finished k-point number 9 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 1) Finished k-point number 3 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 16) Finished k-point number 33 1 with #bands= 19 56) Finished k-point number 113 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 46) Finished k-point number 94 2 with #bands= 19 41) Finished k-point number 84 2 with #bands= 19 40) Finished k-point number 82 2 with #bands= 19 58) Finished k-point number 118 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 18) Finished k-point number 38 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 44) Finished k-point number 90 2 with #bands= 19 30) Finished k-point number 62 2 with #bands= 19 3) Finished k-point number 8 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 19 55) Finished k-point number 112 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 6) Finished k-point number 14 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 49) Finished k-point number 100 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 5) Finished k-point number 12 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 9.15813524426658 Density= 41.0134118169639 41.0000000000000 EF 8.88602141215300 Density= 40.6843348560557 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.67311059 0.65311059 0.134118E-01 -0.315665 1 0.67229547 0.67311059 -0.715061E-02 0.134118E-01 2 0.67257893 0.67311059 -0.796403E-03 0.134118E-01 3 0.67261246 0.67311059 -0.296883E-04 0.134118E-01 4 0.67261375 0.67311059 -0.193353E-06 0.134118E-01 5 0.67261376 0.67311059 -0.497451E-10 0.134118E-01 Absolute convergence of |F(X)|. Difference in EF= -0.0067596843 EF set to : 9.1513755600 new EF (no-mixing): 9.1513755600 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.000668 tlogG= -0.012454 logG= -0.013121 Density= 0.071886 ETOT(band)= -0.051669 trlgG= -0.065109 logG= -0.013121 TDE= -0.100338 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000884 tlogG= -0.016536 logG= -0.017420 Density= 0.095829 ETOT(band)= -0.068880 trlgG= -0.086665 logG= -0.017420 TDE= -0.133700 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000875 tlogG= -0.016555 logG= -0.017430 Density= 0.095744 ETOT(band)= -0.068973 trlgG= -0.086680 logG= -0.017430 TDE= -0.133648 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000901 tlogG= -0.016282 logG= -0.017183 Density= 0.095984 ETOT(band)= -0.068532 trlgG= -0.086395 logG= -0.017183 TDE= -0.133772 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002680 tlogG= -0.049630 logG= -0.052309 Density= 0.287621 ETOT(band)= -0.206463 trlgG= -0.260213 logG= -0.052309 TDE= -0.401362 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001318 tlogG= -0.012968 logG= -0.014285 Density= 0.111565 ETOT(band)= -0.055932 trlgG= -0.071461 logG= -0.014285 TDE= -0.132216 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002739 tlogG= -0.048586 logG= -0.051325 Density= 0.288093 ETOT(band)= -0.205253 trlgG= -0.258816 logG= -0.051325 TDE= -0.401266 37) Finished k-point 75 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.001160 tlogG= -0.013633 logG= -0.014793 Density= 0.101541 ETOT(band)= -0.063084 trlgG= -0.079051 logG= -0.014793 TDE= -0.132556 logGD-logG0= -0.002695 tlogG= -0.049478 logG= -0.052173 logGD-logG0= -0.002710 tlogG= -0.049081 logG= -0.051791 Density= 0.287692 ETOT(band)= -0.206174 trlgG= -0.259951 logG= -0.052173 TDE= -0.401284 Density= 0.287863 ETOT(band)= -0.205833 trlgG= -0.259532 logG= -0.051791 TDE= -0.401361 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002702 tlogG= -0.049282 logG= -0.051984 Density= 0.287770 ETOT(band)= -0.206009 trlgG= -0.259752 logG= -0.051984 TDE= -0.401326 logGD-logG0= -0.005386 tlogG= -0.098712 logG= -0.104098 Density= 0.575476 ETOT(band)= -0.412298 trlgG= -0.519759 logG= -0.104098 TDE= -0.802734 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.003613 tlogG= -0.040183 logG= -0.043796 logGD-logG0= -0.005388 tlogG= -0.098451 logG= -0.103839 Density= 0.316350 ETOT(band)= -0.180856 trlgG= -0.228257 logG= -0.043796 TDE= -0.397243 Density= 0.575569 ETOT(band)= -0.412089 trlgG= -0.519433 logG= -0.103839 TDE= -0.802730 logGD-logG0= -0.000655 tlogG= -0.012404 logG= -0.013059 Density= 0.071794 ETOT(band)= -0.051731 trlgG= -0.065003 logG= -0.013059 TDE= -0.100233 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003474 tlogG= -0.040965 logG= -0.044438 Density= 0.318416 ETOT(band)= -0.180014 trlgG= -0.227989 logG= -0.044438 TDE= -0.397722 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003071 tlogG= -0.046061 logG= -0.049132 Density= 0.307528 ETOT(band)= -0.190706 trlgG= -0.242436 logG= -0.049132 TDE= -0.400151 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001321 tlogG= -0.024857 logG= -0.026177 Density= 0.143679 ETOT(band)= -0.103422 trlgG= -0.130035 logG= -0.026177 TDE= -0.200498 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002860 tlogG= -0.047207 logG= -0.050067 logGD-logG0= -0.002669 tlogG= -0.049468 logG= -0.052137 Density= 0.287614 ETOT(band)= -0.206405 trlgG= -0.259927 logG= -0.052137 TDE= -0.401243 Density= 0.292140 ETOT(band)= -0.201751 trlgG= -0.254212 logG= -0.050067 TDE= -0.400643 logGD-logG0= -0.002984 tlogG= -0.046543 logG= -0.049526 Density= 0.294912 ETOT(band)= -0.199493 trlgG= -0.251465 logG= -0.049526 TDE= -0.400300 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002645 tlogG= -0.049774 logG= -0.052419 Density= 0.287377 ETOT(band)= -0.206867 trlgG= -0.260207 logG= -0.052419 TDE= -0.401082 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006048 tlogG= -0.091072 logG= -0.097120 Density= 0.591440 ETOT(band)= -0.396169 trlgG= -0.499087 logG= -0.097120 TDE= -0.799778 logGD-logG0= -0.002688 tlogG= -0.049594 logG= -0.052282 Density= 0.287654 ETOT(band)= -0.206344 trlgG= -0.260145 logG= -0.052282 TDE= -0.401343 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005786 tlogG= -0.092576 logG= -0.098362 Density= 0.585142 ETOT(band)= -0.401355 trlgG= -0.505364 logG= -0.098362 TDE= -0.800576 logGD-logG0= -0.002675 tlogG= -0.049460 logG= -0.052135 Density= 0.287639 ETOT(band)= -0.206374 trlgG= -0.259959 logG= -0.052135 TDE= -0.401293 logGD-logG0= -0.002825 tlogG= -0.046232 logG= -0.049058 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.289159 ETOT(band)= -0.202475 trlgG= -0.255033 logG= -0.049058 TDE= -0.400468 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003156 tlogG= -0.044063 logG= -0.047219 Density= 0.308285 ETOT(band)= -0.188478 trlgG= -0.239127 logG= -0.047219 TDE= -0.399265 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000982 tlogG= -0.014725 logG= -0.015707 Density= 0.098061 ETOT(band)= -0.065914 trlgG= -0.082912 logG= -0.015707 TDE= -0.133162 logGD-logG0= -0.002788 tlogG= -0.047151 logG= -0.049939 Density= 0.288520 ETOT(band)= -0.203665 trlgG= -0.256557 logG= -0.049939 TDE= -0.400680 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005559 tlogG= -0.095450 logG= -0.101010 Density= 0.577208 ETOT(band)= -0.408288 trlgG= -0.514514 logG= -0.101010 TDE= -0.801742 logGD-logG0= -0.002728 tlogG= -0.048390 logG= -0.051117 Density= 0.288155 ETOT(band)= -0.205043 trlgG= -0.258542 logG= -0.051117 TDE= -0.401241 logGD-logG0= -0.002632 tlogG= -0.049711 logG= -0.052343 Density= 0.287277 ETOT(band)= -0.206914 trlgG= -0.260079 logG= -0.052343 TDE= -0.400963 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002776 tlogG= -0.047445 logG= -0.050221 logGD-logG0= -0.002829 tlogG= -0.046366 logG= -0.049195 Density= 0.288465 ETOT(band)= -0.203972 trlgG= -0.257056 logG= -0.050221 TDE= -0.400861 Density= 0.289636 ETOT(band)= -0.202335 trlgG= -0.254870 logG= -0.049195 TDE= -0.400487 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005484 tlogG= -0.096850 logG= -0.102334 Density= 0.576129 ETOT(band)= -0.410123 trlgG= -0.517009 logG= -0.102334 TDE= -0.802188 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005664 tlogG= -0.092435 logG= -0.098098 Density= 0.578526 ETOT(band)= -0.404807 trlgG= -0.509590 logG= -0.098098 TDE= -0.800616 logGD-logG0= -0.005995 tlogG= -0.087922 logG= -0.093917 logGD-logG0= -0.002731 tlogG= -0.048564 logG= -0.051295 logGD-logG0= -0.002778 tlogG= -0.047841 logG= -0.050619 Density= 0.287997 ETOT(band)= -0.205214 trlgG= -0.258706 logG= -0.051295 TDE= -0.401122 Density= 0.288785 ETOT(band)= -0.204177 trlgG= -0.257396 logG= -0.050619 TDE= -0.401017 Density= 0.588941 ETOT(band)= -0.394933 trlgG= -0.496314 logG= -0.093917 TDE= -0.798527 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002661 tlogG= -0.049789 logG= -0.052450 Density= 0.287483 ETOT(band)= -0.206756 trlgG= -0.260344 logG= -0.052450 TDE= -0.401259 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002655 tlogG= -0.049688 logG= -0.052343 Density= 0.287467 ETOT(band)= -0.206717 trlgG= -0.260136 logG= -0.052343 TDE= -0.401147 logGD-logG0= -0.005630 tlogG= -0.093152 logG= -0.098782 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.577975 ETOT(band)= -0.405777 trlgG= -0.511085 logG= -0.098782 TDE= -0.801057 logGD-logG0= -0.006310 tlogG= -0.085918 logG= -0.092228 Density= 0.601511 ETOT(band)= -0.385262 trlgG= -0.485057 logG= -0.092228 TDE= -0.797413 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.005520 tlogG= -0.095813 logG= -0.101333 Density= 0.576706 ETOT(band)= -0.408954 trlgG= -0.515581 logG= -0.101333 TDE= -0.802148 logGD-logG0= -0.005699 tlogG= -0.093327 logG= -0.099026 Density= 0.583116 ETOT(band)= -0.403110 trlgG= -0.507845 logG= -0.099026 TDE= -0.801030 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003070 tlogG= -0.043533 logG= -0.046603 Density= 0.295225 ETOT(band)= -0.196708 trlgG= -0.247094 logG= -0.046603 TDE= -0.399064 logGD-logG0= -0.002710 tlogG= -0.049134 logG= -0.051844 Density= 0.287810 ETOT(band)= -0.205818 trlgG= -0.259505 logG= -0.051844 TDE= -0.401245 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002673 tlogG= -0.049615 logG= -0.052288 Density= 0.287584 ETOT(band)= -0.206531 trlgG= -0.260166 logG= -0.052288 TDE= -0.401311 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005464 tlogG= -0.097265 logG= -0.102729 Density= 0.576032 ETOT(band)= -0.410599 trlgG= -0.517703 logG= -0.102729 TDE= -0.802421 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001460 tlogG= -0.023465 logG= -0.024925 Density= 0.146372 ETOT(band)= -0.100615 trlgG= -0.126738 logG= -0.024925 TDE= -0.200265 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002756 tlogG= -0.047783 logG= -0.050539 logGD-logG0= -0.002688 tlogG= -0.049276 logG= -0.051964 Density= 0.287751 ETOT(band)= -0.206111 trlgG= -0.259760 logG= -0.051964 TDE= -0.401341 Density= 0.288413 ETOT(band)= -0.204329 trlgG= -0.257622 logG= -0.050539 TDE= -0.401074 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002719 tlogG= -0.048842 logG= -0.051561 Density= 0.287967 ETOT(band)= -0.205574 trlgG= -0.259211 logG= -0.051561 TDE= -0.401341 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002819 tlogG= -0.047538 logG= -0.050357 Density= 0.290983 ETOT(band)= -0.202674 trlgG= -0.255474 logG= -0.050357 TDE= -0.400837 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005893 tlogG= -0.088936 logG= -0.094829 Density= 0.587024 ETOT(band)= -0.396873 trlgG= -0.499149 logG= -0.094829 TDE= -0.799161 22) Finished k-point 45 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002956 tlogG= -0.045972 logG= -0.048928 Density= 0.293118 ETOT(band)= -0.200153 trlgG= -0.251927 logG= -0.048928 TDE= -0.400154 20) Finished k-point 41 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005459 tlogG= -0.097046 logG= -0.102504 Density= 0.576160 ETOT(band)= -0.410387 trlgG= -0.517466 logG= -0.102504 TDE= -0.802494 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002723 tlogG= -0.048755 logG= -0.051478 Density= 0.287958 ETOT(band)= -0.205435 trlgG= -0.259026 logG= -0.051478 TDE= -0.401233 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005533 tlogG= -0.095997 logG= -0.101530 Density= 0.576768 ETOT(band)= -0.409062 trlgG= -0.515654 logG= -0.101530 TDE= -0.802066 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000109 tlogG= -0.002066 logG= -0.002175 Density= 0.083758 ETOT(band)= -0.060353 trlgG= -0.075835 logG= -0.002175 TDE= -0.016705 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.000672 tlogG= -0.012400 logG= -0.013072 Density= 0.359606 ETOT(band)= -0.257749 trlgG= -0.324978 logG= -0.013072 TDE= -0.100324 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001312 tlogG= -0.024824 logG= -0.026136 Density= 0.239345 ETOT(band)= -0.172437 trlgG= -0.216700 logG= -0.026136 TDE= -0.200472 logGD-logG0= -0.000929 tlogG= -0.015673 logG= -0.016602 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.168137 ETOT(band)= -0.119477 trlgG= -0.150573 logG= -0.016602 TDE= -0.133602 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002675 tlogG= -0.049724 logG= -0.052399 Density= 0.575201 ETOT(band)= -0.413034 trlgG= -0.520536 logG= -0.052399 TDE= -0.401354 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002644 tlogG= -0.049685 logG= -0.052329 Density= 0.383220 ETOT(band)= -0.275670 trlgG= -0.346685 logG= -0.052329 TDE= -0.400994 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002693 tlogG= -0.049478 logG= -0.052170 Density= 0.575466 ETOT(band)= -0.412229 trlgG= -0.519750 logG= -0.052170 TDE= -0.401336 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002689 tlogG= -0.049473 logG= -0.052162 Density= 0.863168 ETOT(band)= -0.618581 trlgG= -0.779792 logG= -0.052162 TDE= -0.401377 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002686 tlogG= -0.049218 logG= -0.051903 Density= 0.383752 ETOT(band)= -0.274595 trlgG= -0.346062 logG= -0.051903 TDE= -0.401320 logGD-logG0= -0.002690 tlogG= -0.049345 logG= -0.052035 Density= 0.863302 ETOT(band)= -0.618278 trlgG= -0.779311 logG= -0.052035 TDE= -0.401376 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003770 tlogG= -0.039555 logG= -0.043326 Density= 0.431415 ETOT(band)= -0.234079 trlgG= -0.296594 logG= -0.043326 TDE= -0.396943 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000660 tlogG= -0.012450 logG= -0.013111 Density= 0.359213 ETOT(band)= -0.258596 trlgG= -0.325266 logG= -0.013111 TDE= -0.100266 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000671 tlogG= -0.012425 logG= -0.013096 Density= 0.359557 ETOT(band)= -0.257959 trlgG= -0.325214 logG= -0.013096 TDE= -0.100336 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003246 tlogG= -0.042127 logG= -0.045374 Density= 0.404511 ETOT(band)= -0.254190 trlgG= -0.318992 logG= -0.045374 TDE= -0.398349 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.001357 tlogG= -0.024494 logG= -0.025851 Density= 0.431920 ETOT(band)= -0.308447 trlgG= -0.388920 logG= -0.025851 TDE= -0.200683 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001386 tlogG= -0.024022 logG= -0.025408 Density= 0.433128 ETOT(band)= -0.306386 trlgG= -0.386257 logG= -0.025408 TDE= -0.200541 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001530 tlogG= -0.023165 logG= -0.024695 Density= 0.461250 ETOT(band)= -0.286202 trlgG= -0.363867 logG= -0.024695 TDE= -0.200131 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005317 tlogG= -0.099267 logG= -0.104585 Density= 0.862626 ETOT(band)= -0.619680 trlgG= -0.780097 logG= -0.104585 TDE= -0.802346 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002754 tlogG= -0.047899 logG= -0.050653 Density= 0.576430 ETOT(band)= -0.409727 trlgG= -0.516614 logG= -0.050653 TDE= -0.401083 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002635 tlogG= -0.049709 logG= -0.052343 Density= 0.430987 ETOT(band)= -0.310307 trlgG= -0.390083 logG= -0.052343 TDE= -0.400952 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002736 tlogG= -0.048599 logG= -0.051335 Density= 0.864138 ETOT(band)= -0.615371 trlgG= -0.775762 logG= -0.051335 TDE= -0.401137 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.000664 tlogG= -0.012461 logG= -0.013125 Density= 0.359345 ETOT(band)= -0.258464 trlgG= -0.325446 logG= -0.013125 TDE= -0.100312 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002707 tlogG= -0.049025 logG= -0.051732 Density= 0.575735 ETOT(band)= -0.411602 trlgG= -0.518970 logG= -0.051732 TDE= -0.401333 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003235 tlogG= -0.042558 logG= -0.045793 Density= 0.628578 ETOT(band)= -0.366038 trlgG= -0.463705 logG= -0.045793 TDE= -0.398541 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000657 tlogG= -0.012427 logG= -0.013084 Density= 0.359089 ETOT(band)= -0.258649 trlgG= -0.325105 logG= -0.013084 TDE= -0.100243 57) Finished k-point 116 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003151 tlogG= -0.042627 logG= -0.045777 Density= 0.596089 ETOT(band)= -0.391980 trlgG= -0.493259 logG= -0.045777 TDE= -0.398592 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002882 tlogG= -0.045111 logG= -0.047993 Density= 0.582636 ETOT(band)= -0.402446 trlgG= -0.506645 logG= -0.047993 TDE= -0.399831 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002700 tlogG= -0.049353 logG= -0.052053 Density= 0.575544 ETOT(band)= -0.411862 trlgG= -0.519297 logG= -0.052053 TDE= -0.401273 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002727 tlogG= -0.048798 logG= -0.051525 Density= 0.863992 ETOT(band)= -0.616079 trlgG= -0.776793 logG= -0.051525 TDE= -0.401252 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.006723 tlogG= -0.082929 logG= -0.089653 Density= 0.929958 ETOT(band)= -0.556970 trlgG= -0.701072 logG= -0.089653 TDE= -0.795884 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.001336 tlogG= -0.024773 logG= -0.026109 Density= 0.431435 ETOT(band)= -0.309617 trlgG= -0.389989 logG= -0.026109 TDE= -0.200641 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005987 tlogG= -0.092565 logG= -0.098553 Density= 1.181615 ETOT(band)= -0.794472 trlgG= -1.001072 logG= -0.098553 TDE= -0.800392 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002875 tlogG= -0.045289 logG= -0.048164 Density= 0.388650 ETOT(band)= -0.266714 trlgG= -0.335653 logG= -0.048164 TDE= -0.400031 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005736 tlogG= -0.093944 logG= -0.099679 Density= 1.169636 ETOT(band)= -0.804313 trlgG= -1.013017 logG= -0.099679 TDE= -0.801112 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002773 tlogG= -0.047930 logG= -0.050703 Density= 0.865736 ETOT(band)= -0.612658 trlgG= -0.772084 logG= -0.050703 TDE= -0.400936 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002648 tlogG= -0.049739 logG= -0.052387 Density= 0.574878 ETOT(band)= -0.413525 trlgG= -0.520303 logG= -0.052387 TDE= -0.401096 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005414 tlogG= -0.097786 logG= -0.103200 Density= 0.864020 ETOT(band)= -0.616331 trlgG= -0.777069 logG= -0.103200 TDE= -0.802662 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003103 tlogG= -0.045277 logG= -0.048380 Density= 0.616077 ETOT(band)= -0.378333 trlgG= -0.480295 logG= -0.048380 TDE= -0.399812 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003002 tlogG= -0.044874 logG= -0.047876 Density= 0.588852 ETOT(band)= -0.395569 trlgG= -0.497154 logG= -0.047876 TDE= -0.399682 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002797 tlogG= -0.047256 logG= -0.050053 Density= 0.578724 ETOT(band)= -0.405802 trlgG= -0.511298 logG= -0.050053 TDE= -0.400820 logGD-logG0= -0.005431 tlogG= -0.097974 logG= -0.103404 logGD-logG0= -0.003067 tlogG= -0.043216 logG= -0.046282 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.445722 ETOT(band)= -0.294631 trlgG= -0.370630 logG= -0.046282 TDE= -0.398957 Density= 0.863709 ETOT(band)= -0.616539 trlgG= -0.777310 logG= -0.103404 TDE= -0.802432 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005517 tlogG= -0.095837 logG= -0.101354 Density= 0.864982 ETOT(band)= -0.612694 trlgG= -0.772055 logG= -0.101354 TDE= -0.801880 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005598 tlogG= -0.094258 logG= -0.099855 Density= 1.156200 ETOT(band)= -0.811753 trlgG= -1.022218 logG= -0.099855 TDE= -0.801324 logGD-logG0= -0.002665 tlogG= -0.049721 logG= -0.052386 Density= 0.575105 ETOT(band)= -0.413199 trlgG= -0.520430 logG= -0.052386 TDE= -0.401269 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005574 tlogG= -0.094294 logG= -0.099868 Density= 0.866511 ETOT(band)= -0.609657 trlgG= -0.768212 logG= -0.099868 TDE= -0.801646 logGD-logG0= -0.005870 tlogG= -0.090481 logG= -0.096351 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 1.175184 ETOT(band)= -0.793757 trlgG= -0.998047 logG= -0.096351 TDE= -0.799697 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005653 tlogG= -0.094624 logG= -0.100276 Density= 1.165372 ETOT(band)= -0.807884 trlgG= -1.018001 logG= -0.100276 TDE= -0.801514 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005489 tlogG= -0.096821 logG= -0.102310 Density= 1.153023 ETOT(band)= -0.819061 trlgG= -1.032693 logG= -0.102310 TDE= -0.802442 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006148 tlogG= -0.088759 logG= -0.094907 Density= 1.195683 ETOT(band)= -0.777613 trlgG= -0.979071 logG= -0.094907 TDE= -0.798755 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002761 tlogG= -0.048193 logG= -0.050954 Density= 0.865080 ETOT(band)= -0.613810 trlgG= -0.773776 logG= -0.050954 TDE= -0.401091 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.005496 tlogG= -0.096323 logG= -0.101820 logGD-logG0= -0.005568 tlogG= -0.094865 logG= -0.100434 Density= 1.155176 ETOT(band)= -0.813560 trlgG= -1.024971 logG= -0.100434 TDE= -0.801686 Density= 0.864835 ETOT(band)= -0.613529 trlgG= -0.773376 logG= -0.101820 TDE= -0.802174 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002929 tlogG= -0.046685 logG= -0.049614 Density= 0.585954 ETOT(band)= -0.401111 trlgG= -0.505014 logG= -0.049614 TDE= -0.400439 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002732 tlogG= -0.048421 logG= -0.051153 Density= 0.576553 ETOT(band)= -0.409410 trlgG= -0.516218 logG= -0.051153 TDE= -0.401249 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005353 tlogG= -0.099056 logG= -0.104409 Density= 0.863008 ETOT(band)= -0.618954 trlgG= -0.779889 logG= -0.104409 TDE= -0.802646 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002860 tlogG= -0.045541 logG= -0.048401 Density= 0.580830 ETOT(band)= -0.404126 trlgG= -0.509018 logG= -0.048401 TDE= -0.400097 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005431 tlogG= -0.097872 logG= -0.103303 Density= 1.151995 ETOT(band)= -0.821720 trlgG= -1.036120 logG= -0.103303 TDE= -0.802665 38) Finished k-point 78 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005415 tlogG= -0.098290 logG= -0.103705 Density= 0.863592 ETOT(band)= -0.617155 trlgG= -0.778156 logG= -0.103705 TDE= -0.802605 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005778 tlogG= -0.091350 logG= -0.097129 Density= 1.171545 ETOT(band)= -0.797385 trlgG= -1.003361 logG= -0.097129 TDE= -0.800241 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Sum of eigenvalues= -386.705322452700 eV TrLogG= -487.107558621945 eV Ratio to renormalize= 1.000469018941 rho-rho_expected=-0.019220761677 nargs= 1 argi=dmft2.def 27) Finished k-point number 55 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 54) Finished k-point number 109 1 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 54) Finished k-point number 110 2 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 29) Finished k-point number 59 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 46) Finished k-point number 93 1 with #bands= 19 24) Finished k-point number 49 1 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 52) Finished k-point number 106 2 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 24) Finished k-point number 50 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 13) Finished k-point number 28 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 15) Finished k-point number 32 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 57) Finished k-point number 116 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 3) Finished k-point number 8 2 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 43) Finished k-point number 87 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 16) Finished k-point number 34 2 with #bands= 19 4) Finished k-point number 9 1 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 45) Finished k-point number 91 1 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 4) Finished k-point number 10 2 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 40) Finished k-point number 82 2 with #bands= 19 45) Finished k-point number 92 2 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 21) Finished k-point number 43 1 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 44) Finished k-point number 89 1 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 20) Finished k-point number 41 1 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 42) Finished k-point number 86 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 8) Finished k-point number 18 2 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.864712101539756 0.871868997330643 0.850056856293431 58) Finished k-point number 117 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 55) Finished k-point number 111 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 50) Finished k-point number 101 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 19 37) Finished k-point number 75 1 with #bands= 19 30) Finished k-point number 61 1 with #bands= 19 59) Finished k-point number 119 1 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 16) Finished k-point number 33 1 with #bands= 19 17) Finished k-point number 35 1 with #bands= 19 31) Finished k-point number 63 1 with #bands= 19 1) Finished k-point number 3 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 19) Finished k-point number 39 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 58) Finished k-point number 118 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 34) Finished k-point number 70 2 with #bands= 19 40) Finished k-point number 82 2 with #bands= 19 10) Finished k-point number 22 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 30) Finished k-point number 62 2 with #bands= 19 31) Finished k-point number 64 2 with #bands= 19 18) Finished k-point number 38 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 19 57) Finished k-point number 116 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 11) Finished k-point number 24 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 39) Finished k-point number 80 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 51) Finished k-point number 104 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 24) Finished k-point number 50 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 9.15137555998715 Density= 40.9962681424340 41.0000000000000 EF 9.42348939210073 Density= 41.4159618157990 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.69261376 0.67261376 0.415962 -0.373186E-02 1 0.68261376 0.67261378 0.239728 -0.373186E-02 2 0.67761377 0.67261401 0.147896 -0.373186E-02 3 0.67511389 0.67261365 0.718845E-01 -0.373186E-02 4 0.67386377 0.67261383 0.309460E-01 -0.373186E-02 5 0.67323880 0.67261398 0.123978E-01 -0.373186E-02 6 0.67292639 0.67261367 0.377912E-02 -0.373186E-02 7 0.67277359 0.67292599 -0.104129E-03 0.377912E-02 8 0.67277768 0.67292599 -0.104661E-04 0.377912E-02 9 0.67277813 0.67292599 -0.260957E-07 0.377912E-02 10 0.67277814 0.67292599 -0.670752E-11 0.377912E-02 Absolute convergence of |F(X)|. Difference in EF= 0.0022364777 EF set to : 9.1536120377 new EF (no-mixing): 9.1536120377 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.000668 tlogG= -0.012461 logG= -0.013128 Density= 0.071886 ETOT(band)= -0.051668 trlgG= -0.065115 logG= -0.013128 TDE= -0.100350 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000884 tlogG= -0.016545 logG= -0.017429 Density= 0.095829 ETOT(band)= -0.068879 trlgG= -0.086674 logG= -0.017429 TDE= -0.133716 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000875 tlogG= -0.016564 logG= -0.017440 Density= 0.095744 ETOT(band)= -0.068972 trlgG= -0.086688 logG= -0.017440 TDE= -0.133663 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002680 tlogG= -0.049658 logG= -0.052337 Density= 0.287623 ETOT(band)= -0.206459 trlgG= -0.260239 logG= -0.052337 TDE= -0.401408 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000655 tlogG= -0.012411 logG= -0.013066 Density= 0.071794 ETOT(band)= -0.051731 trlgG= -0.065009 logG= -0.013066 TDE= -0.100244 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001318 tlogG= -0.012979 logG= -0.014296 Density= 0.111564 ETOT(band)= -0.055931 trlgG= -0.071471 logG= -0.014296 TDE= -0.132232 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002702 tlogG= -0.049310 logG= -0.052012 logGD-logG0= -0.002710 tlogG= -0.049109 logG= -0.051819 Density= 0.287772 ETOT(band)= -0.206006 trlgG= -0.259778 logG= -0.052012 TDE= -0.401372 logGD-logG0= -0.002739 tlogG= -0.048615 logG= -0.051353 Density= 0.288095 ETOT(band)= -0.205250 trlgG= -0.258842 logG= -0.051353 TDE= -0.401313 Density= 0.287865 ETOT(band)= -0.205829 trlgG= -0.259557 logG= -0.051819 TDE= -0.401407 37) Finished k-point 75 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.005388 tlogG= -0.098506 logG= -0.103894 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 Density= 0.575572 ETOT(band)= -0.412082 trlgG= -0.519484 logG= -0.103894 TDE= -0.802822 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.000901 tlogG= -0.016292 logG= -0.017193 Density= 0.095985 ETOT(band)= -0.068531 trlgG= -0.086404 logG= -0.017193 TDE= -0.133788 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005385 tlogG= -0.098768 logG= -0.104153 Density= 0.575479 ETOT(band)= -0.412291 trlgG= -0.519810 logG= -0.104153 TDE= -0.802827 logGD-logG0= -0.002710 tlogG= -0.049162 logG= -0.051872 Density= 0.287811 ETOT(band)= -0.205814 trlgG= -0.259531 logG= -0.051872 TDE= -0.401292 logGD-logG0= -0.002688 tlogG= -0.049622 logG= -0.052310 Density= 0.287655 ETOT(band)= -0.206341 trlgG= -0.260170 logG= -0.052310 TDE= -0.401389 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.000982 tlogG= -0.014735 logG= -0.015717 Density= 0.098063 ETOT(band)= -0.065912 trlgG= -0.082921 logG= -0.015717 TDE= -0.133178 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002695 tlogG= -0.049506 logG= -0.052201 Density= 0.287694 ETOT(band)= -0.206171 trlgG= -0.259977 logG= -0.052201 TDE= -0.401331 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002675 tlogG= -0.049488 logG= -0.052163 Density= 0.287640 ETOT(band)= -0.206371 trlgG= -0.259984 logG= -0.052163 TDE= -0.401340 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001160 tlogG= -0.013644 logG= -0.014804 Density= 0.101540 ETOT(band)= -0.063084 trlgG= -0.079062 logG= -0.014804 TDE= -0.132572 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003613 tlogG= -0.040215 logG= -0.043828 Density= 0.316350 ETOT(band)= -0.180854 trlgG= -0.228286 logG= -0.043828 TDE= -0.397291 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.003473 tlogG= -0.040997 logG= -0.044470 Density= 0.318415 ETOT(band)= -0.180011 trlgG= -0.228018 logG= -0.044470 TDE= -0.397770 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003071 tlogG= -0.046091 logG= -0.049161 Density= 0.307529 ETOT(band)= -0.190700 trlgG= -0.242461 logG= -0.049161 TDE= -0.400198 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002956 tlogG= -0.046001 logG= -0.048957 Density= 0.293119 ETOT(band)= -0.200150 trlgG= -0.251954 logG= -0.048957 TDE= -0.400201 logGD-logG0= -0.001460 tlogG= -0.023479 logG= -0.024939 Density= 0.146373 ETOT(band)= -0.100613 trlgG= -0.126751 logG= -0.024939 TDE= -0.200288 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 20) Finished k-point 41 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003156 tlogG= -0.044093 logG= -0.047249 Density= 0.308287 ETOT(band)= -0.188474 trlgG= -0.239153 logG= -0.047249 TDE= -0.399313 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002859 tlogG= -0.047236 logG= -0.050096 Density= 0.292142 ETOT(band)= -0.201748 trlgG= -0.254239 logG= -0.050096 TDE= -0.400690 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006047 tlogG= -0.091131 logG= -0.097178 logGD-logG0= -0.002983 tlogG= -0.046572 logG= -0.049555 Density= 0.294915 ETOT(band)= -0.199489 trlgG= -0.251491 logG= -0.049555 TDE= -0.400347 Density= 0.591446 ETOT(band)= -0.396160 trlgG= -0.499139 logG= -0.097178 TDE= -0.799873 logGD-logG0= -0.002788 tlogG= -0.047180 logG= -0.049968 Density= 0.288522 ETOT(band)= -0.203662 trlgG= -0.256584 logG= -0.049968 TDE= -0.400727 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003069 tlogG= -0.043563 logG= -0.046633 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.295229 ETOT(band)= -0.196704 trlgG= -0.247120 logG= -0.046633 TDE= -0.399111 logGD-logG0= -0.005785 tlogG= -0.092635 logG= -0.098420 Density= 0.585145 ETOT(band)= -0.401349 trlgG= -0.505417 logG= -0.098420 TDE= -0.800670 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002825 tlogG= -0.046261 logG= -0.049087 Density= 0.289160 ETOT(band)= -0.202472 trlgG= -0.255060 logG= -0.049087 TDE= -0.400514 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002645 tlogG= -0.049802 logG= -0.052447 Density= 0.287378 ETOT(band)= -0.206864 trlgG= -0.260232 logG= -0.052447 TDE= -0.401127 logGD-logG0= -0.005892 tlogG= -0.088995 logG= -0.094888 Density= 0.587030 ETOT(band)= -0.396867 trlgG= -0.499202 logG= -0.094888 TDE= -0.799255 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002727 tlogG= -0.048418 logG= -0.051145 logGD-logG0= -0.002829 tlogG= -0.046395 logG= -0.049224 Density= 0.288156 ETOT(band)= -0.205040 trlgG= -0.258568 logG= -0.051145 TDE= -0.401288 22) Finished k-point 45 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 Density= 0.289639 ETOT(band)= -0.202332 trlgG= -0.254896 logG= -0.049224 TDE= -0.400534 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002756 tlogG= -0.047811 logG= -0.050567 Density= 0.288414 ETOT(band)= -0.204326 trlgG= -0.257648 logG= -0.050567 TDE= -0.401120 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005559 tlogG= -0.095508 logG= -0.101067 Density= 0.577214 ETOT(band)= -0.408280 trlgG= -0.514565 logG= -0.101067 TDE= -0.801836 logGD-logG0= -0.002655 tlogG= -0.049716 logG= -0.052371 Density= 0.287468 ETOT(band)= -0.206713 trlgG= -0.260162 logG= -0.052371 TDE= -0.401193 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002661 tlogG= -0.049816 logG= -0.052477 Density= 0.287485 ETOT(band)= -0.206753 trlgG= -0.260369 logG= -0.052477 TDE= -0.401305 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002669 tlogG= -0.049496 logG= -0.052165 Density= 0.287615 ETOT(band)= -0.206402 trlgG= -0.259953 logG= -0.052165 TDE= -0.401290 logGD-logG0= -0.002673 tlogG= -0.049643 logG= -0.052316 Density= 0.287586 ETOT(band)= -0.206527 trlgG= -0.260192 logG= -0.052316 TDE= -0.401358 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002731 tlogG= -0.048592 logG= -0.051323 Density= 0.287999 ETOT(band)= -0.205211 trlgG= -0.258733 logG= -0.051323 TDE= -0.401169 logGD-logG0= -0.005629 tlogG= -0.093210 logG= -0.098839 Density= 0.577979 ETOT(band)= -0.405770 trlgG= -0.511138 logG= -0.098839 TDE= -0.801151 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002778 tlogG= -0.047869 logG= -0.050647 Density= 0.288787 ETOT(band)= -0.204173 trlgG= -0.257421 logG= -0.050647 TDE= -0.401064 logGD-logG0= -0.005458 tlogG= -0.097102 logG= -0.102560 Density= 0.576163 ETOT(band)= -0.410380 trlgG= -0.517517 logG= -0.102560 TDE= -0.802587 logGD-logG0= -0.005994 tlogG= -0.087983 logG= -0.093977 Density= 0.588948 ETOT(band)= -0.394926 trlgG= -0.496367 logG= -0.093977 TDE= -0.798622 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005663 tlogG= -0.092493 logG= -0.098156 Density= 0.578533 ETOT(band)= -0.404800 trlgG= -0.509642 logG= -0.098156 TDE= -0.800710 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002722 tlogG= -0.048783 logG= -0.051506 Density= 0.287960 ETOT(band)= -0.205432 trlgG= -0.259052 logG= -0.051506 TDE= -0.401279 logGD-logG0= -0.002688 tlogG= -0.049304 logG= -0.051992 Density= 0.287753 ETOT(band)= -0.206107 trlgG= -0.259785 logG= -0.051992 TDE= -0.401387 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006309 tlogG= -0.085980 logG= -0.092289 logGD-logG0= -0.005699 tlogG= -0.093385 logG= -0.099083 Density= 0.583120 ETOT(band)= -0.403103 trlgG= -0.507897 logG= -0.099083 TDE= -0.801124 Density= 0.601516 ETOT(band)= -0.385255 trlgG= -0.485111 logG= -0.092289 TDE= -0.797509 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005483 tlogG= -0.096907 logG= -0.102390 Density= 0.576133 ETOT(band)= -0.410117 trlgG= -0.517061 logG= -0.102390 TDE= -0.802281 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002776 tlogG= -0.047474 logG= -0.050249 logGD-logG0= -0.005519 tlogG= -0.095870 logG= -0.101389 Density= 0.288467 ETOT(band)= -0.203969 trlgG= -0.257083 logG= -0.050249 TDE= -0.400908 Density= 0.576710 ETOT(band)= -0.408947 trlgG= -0.515633 logG= -0.101389 TDE= -0.802241 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002719 tlogG= -0.048870 logG= -0.051589 Density= 0.287969 ETOT(band)= -0.205571 trlgG= -0.259237 logG= -0.051589 TDE= -0.401387 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005464 tlogG= -0.097321 logG= -0.102785 Density= 0.576036 ETOT(band)= -0.410592 trlgG= -0.517755 logG= -0.102785 TDE= -0.802513 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001320 tlogG= -0.024871 logG= -0.026191 Density= 0.143680 ETOT(band)= -0.103421 trlgG= -0.130048 logG= -0.026191 TDE= -0.200521 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002819 tlogG= -0.047566 logG= -0.050385 Density= 0.290985 ETOT(band)= -0.202670 trlgG= -0.255500 logG= -0.050385 TDE= -0.400884 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002632 tlogG= -0.049739 logG= -0.052371 Density= 0.287278 ETOT(band)= -0.206911 trlgG= -0.260103 logG= -0.052371 TDE= -0.401007 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005533 tlogG= -0.096054 logG= -0.101586 Density= 0.576772 ETOT(band)= -0.409055 trlgG= -0.515705 logG= -0.101586 TDE= -0.802159 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000109 tlogG= -0.002067 logG= -0.002176 Density= 0.083759 ETOT(band)= -0.060352 trlgG= -0.075842 logG= -0.002176 TDE= -0.016707 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.002675 tlogG= -0.049752 logG= -0.052427 logGD-logG0= -0.000929 tlogG= -0.015682 logG= -0.016611 Density= 0.575205 ETOT(band)= -0.413027 trlgG= -0.520587 logG= -0.052427 TDE= -0.401401 Density= 0.168138 ETOT(band)= -0.119475 trlgG= -0.150588 logG= -0.016611 TDE= -0.133618 logGD-logG0= -0.000672 tlogG= -0.012407 logG= -0.013079 Density= 0.359608 ETOT(band)= -0.257745 trlgG= -0.325010 logG= -0.013079 TDE= -0.100336 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000671 tlogG= -0.012432 logG= -0.013103 Density= 0.359559 ETOT(band)= -0.257955 trlgG= -0.325246 logG= -0.013103 TDE= -0.100347 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002693 tlogG= -0.049505 logG= -0.052198 Density= 0.575469 ETOT(band)= -0.412222 trlgG= -0.519802 logG= -0.052198 TDE= -0.401383 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002690 tlogG= -0.049373 logG= -0.052063 Density= 0.863307 ETOT(band)= -0.618267 trlgG= -0.779388 logG= -0.052063 TDE= -0.401423 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002644 tlogG= -0.049713 logG= -0.052356 Density= 0.383222 ETOT(band)= -0.275665 trlgG= -0.346719 logG= -0.052356 TDE= -0.401040 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002700 tlogG= -0.049381 logG= -0.052080 Density= 0.575547 ETOT(band)= -0.411856 trlgG= -0.519349 logG= -0.052080 TDE= -0.401320 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001312 tlogG= -0.024838 logG= -0.026150 Density= 0.239347 ETOT(band)= -0.172434 trlgG= -0.216719 logG= -0.026150 TDE= -0.200494 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003770 tlogG= -0.039588 logG= -0.043358 Density= 0.431413 ETOT(band)= -0.234076 trlgG= -0.296633 logG= -0.043358 TDE= -0.396992 logGD-logG0= -0.002689 tlogG= -0.049501 logG= -0.052189 Density= 0.863173 ETOT(band)= -0.618571 trlgG= -0.779869 logG= -0.052189 TDE= -0.401423 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002686 tlogG= -0.049246 logG= -0.051931 Density= 0.383754 ETOT(band)= -0.274591 trlgG= -0.346096 logG= -0.051931 TDE= -0.401366 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001336 tlogG= -0.024787 logG= -0.026123 Density= 0.431438 ETOT(band)= -0.309612 trlgG= -0.390028 logG= -0.026123 TDE= -0.200664 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001386 tlogG= -0.024036 logG= -0.025422 Density= 0.433132 ETOT(band)= -0.306380 trlgG= -0.386295 logG= -0.025422 TDE= -0.200564 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003246 tlogG= -0.042158 logG= -0.045404 Density= 0.404510 ETOT(band)= -0.254188 trlgG= -0.319031 logG= -0.045404 TDE= -0.398397 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002875 tlogG= -0.045319 logG= -0.048194 Density= 0.388655 ETOT(band)= -0.266709 trlgG= -0.335688 logG= -0.048194 TDE= -0.400078 logGD-logG0= -0.003067 tlogG= -0.043246 logG= -0.046313 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.445727 ETOT(band)= -0.294625 trlgG= -0.370669 logG= -0.046313 TDE= -0.399004 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.001357 tlogG= -0.024508 logG= -0.025865 Density= 0.431923 ETOT(band)= -0.308442 trlgG= -0.388959 logG= -0.025865 TDE= -0.200706 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002754 tlogG= -0.047928 logG= -0.050681 Density= 0.576434 ETOT(band)= -0.409720 trlgG= -0.516665 logG= -0.050681 TDE= -0.401130 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000664 tlogG= -0.012468 logG= -0.013132 Density= 0.359347 ETOT(band)= -0.258459 trlgG= -0.325478 logG= -0.013132 TDE= -0.100324 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002707 tlogG= -0.049053 logG= -0.051760 Density= 0.575738 ETOT(band)= -0.411595 trlgG= -0.519022 logG= -0.051760 TDE= -0.401379 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001530 tlogG= -0.023180 logG= -0.024710 Density= 0.461252 ETOT(band)= -0.286193 trlgG= -0.363904 logG= -0.024710 TDE= -0.200155 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002727 tlogG= -0.048826 logG= -0.051553 logGD-logG0= -0.003235 tlogG= -0.042589 logG= -0.045824 Density= 0.863998 ETOT(band)= -0.616069 trlgG= -0.776871 logG= -0.051553 TDE= -0.401298 Density= 0.628585 ETOT(band)= -0.366027 trlgG= -0.463756 logG= -0.045824 TDE= -0.398589 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002929 tlogG= -0.046714 logG= -0.049643 Density= 0.585957 ETOT(band)= -0.401104 trlgG= -0.505068 logG= -0.049643 TDE= -0.400486 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002882 tlogG= -0.045141 logG= -0.048023 Density= 0.582642 ETOT(band)= -0.402438 trlgG= -0.506697 logG= -0.048023 TDE= -0.399878 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003103 tlogG= -0.045307 logG= -0.048410 Density= 0.616079 ETOT(band)= -0.378323 trlgG= -0.480346 logG= -0.048410 TDE= -0.399859 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005987 tlogG= -0.092624 logG= -0.098611 Density= 1.181626 ETOT(band)= -0.794454 trlgG= -1.001175 logG= -0.098611 TDE= -0.800486 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002736 tlogG= -0.048627 logG= -0.051363 Density= 0.864144 ETOT(band)= -0.615361 trlgG= -0.775840 logG= -0.051363 TDE= -0.401183 logGD-logG0= -0.006723 tlogG= -0.082992 logG= -0.089715 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 Density= 0.929962 ETOT(band)= -0.556961 trlgG= -0.701157 logG= -0.089715 TDE= -0.795980 logGD-logG0= -0.002760 tlogG= -0.048221 logG= -0.050982 Density= 0.865087 ETOT(band)= -0.613799 trlgG= -0.773853 logG= -0.050982 TDE= -0.401138 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.003002 tlogG= -0.044903 logG= -0.047905 Density= 0.588858 ETOT(band)= -0.395562 trlgG= -0.497208 logG= -0.047905 TDE= -0.399729 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000660 tlogG= -0.012457 logG= -0.013118 Density= 0.359214 ETOT(band)= -0.258592 trlgG= -0.325297 logG= -0.013118 TDE= -0.100278 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005517 tlogG= -0.095894 logG= -0.101411 Density= 0.864988 ETOT(band)= -0.612685 trlgG= -0.772134 logG= -0.101411 TDE= -0.801974 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005735 tlogG= -0.094001 logG= -0.099737 Density= 1.169642 ETOT(band)= -0.804301 trlgG= -1.013123 logG= -0.099737 TDE= -0.801206 logGD-logG0= -0.000657 tlogG= -0.012434 logG= -0.013091 Density= 0.359090 ETOT(band)= -0.258645 trlgG= -0.325134 logG= -0.013091 TDE= -0.100254 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 57) Finished k-point 116 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003150 tlogG= -0.042658 logG= -0.045808 Density= 0.596094 ETOT(band)= -0.391973 trlgG= -0.493312 logG= -0.045808 TDE= -0.398640 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005414 tlogG= -0.097842 logG= -0.103256 logGD-logG0= -0.002773 tlogG= -0.047958 logG= -0.050731 Density= 0.865745 ETOT(band)= -0.612646 trlgG= -0.772161 logG= -0.050731 TDE= -0.400982 Density= 0.864025 ETOT(band)= -0.616321 trlgG= -0.777147 logG= -0.103256 TDE= -0.802755 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002797 tlogG= -0.047284 logG= -0.050081 Density= 0.578729 ETOT(band)= -0.405795 trlgG= -0.511349 logG= -0.050081 TDE= -0.400866 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005568 tlogG= -0.094923 logG= -0.100491 Density= 1.155186 ETOT(band)= -0.813546 trlgG= -1.025076 logG= -0.100491 TDE= -0.801780 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005430 tlogG= -0.098030 logG= -0.103460 Density= 0.863715 ETOT(band)= -0.616529 trlgG= -0.777389 logG= -0.103460 TDE= -0.802525 logGD-logG0= -0.002648 tlogG= -0.049767 logG= -0.052415 Density= 0.574881 ETOT(band)= -0.413518 trlgG= -0.520354 logG= -0.052415 TDE= -0.401142 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005317 tlogG= -0.099323 logG= -0.104640 Density= 0.862631 ETOT(band)= -0.619670 trlgG= -0.780174 logG= -0.104640 TDE= -0.802439 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002665 tlogG= -0.049749 logG= -0.052413 Density= 0.575108 ETOT(band)= -0.413192 trlgG= -0.520482 logG= -0.052413 TDE= -0.401315 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005574 tlogG= -0.094351 logG= -0.099925 Density= 0.866516 ETOT(band)= -0.609648 trlgG= -0.768292 logG= -0.099925 TDE= -0.801739 logGD-logG0= -0.005415 tlogG= -0.098346 logG= -0.103761 Density= 0.863598 ETOT(band)= -0.617145 trlgG= -0.778234 logG= -0.103761 TDE= -0.802697 logGD-logG0= -0.005652 tlogG= -0.094681 logG= -0.100333 Density= 1.165382 ETOT(band)= -0.807869 trlgG= -1.018104 logG= -0.100333 TDE= -0.801607 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005870 tlogG= -0.090540 logG= -0.096410 logGD-logG0= -0.002732 tlogG= -0.048449 logG= -0.051181 Density= 0.576557 ETOT(band)= -0.409404 trlgG= -0.516270 logG= -0.051181 TDE= -0.401296 logGD-logG0= -0.005778 tlogG= -0.091409 logG= -0.097187 Density= 1.175195 ETOT(band)= -0.793745 trlgG= -0.998155 logG= -0.096410 TDE= -0.799792 Density= 1.171555 ETOT(band)= -0.797372 trlgG= -1.003468 logG= -0.097187 TDE= -0.800335 logGD-logG0= -0.005597 tlogG= -0.094315 logG= -0.099913 Density= 1.156213 ETOT(band)= -0.811738 trlgG= -1.022322 logG= -0.099913 TDE= -0.801417 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005431 tlogG= -0.097928 logG= -0.103359 Density= 1.152001 ETOT(band)= -0.821707 trlgG= -1.036223 logG= -0.103359 TDE= -0.802758 38) Finished k-point 78 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002635 tlogG= -0.049736 logG= -0.052371 Density= 0.430989 ETOT(band)= -0.310303 trlgG= -0.390120 logG= -0.052371 TDE= -0.400996 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005496 tlogG= -0.096380 logG= -0.101876 Density= 0.864840 ETOT(band)= -0.613520 trlgG= -0.773454 logG= -0.101876 TDE= -0.802267 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005353 tlogG= -0.099111 logG= -0.104464 Density= 0.863013 ETOT(band)= -0.618944 trlgG= -0.779967 logG= -0.104464 TDE= -0.802739 logGD-logG0= -0.005488 tlogG= -0.096877 logG= -0.102366 Density= 1.153030 ETOT(band)= -0.819047 trlgG= -1.032797 logG= -0.102366 TDE= -0.802534 logGD-logG0= -0.006147 tlogG= -0.088819 logG= -0.094967 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 1.195692 ETOT(band)= -0.777599 trlgG= -0.979179 logG= -0.094967 TDE= -0.798850 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002860 tlogG= -0.045571 logG= -0.048430 Density= 0.580835 ETOT(band)= -0.404119 trlgG= -0.509070 logG= -0.048430 TDE= -0.400144 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Sum of eigenvalues= -386.698742343826 eV TrLogG= -487.159934796680 eV Ratio to renormalize= 1.000462220103 rho-rho_expected=-0.018942268718 nargs= 1 argi=dmft2.def 53) Finished k-point number 107 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 53) Finished k-point number 108 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 6) Finished k-point number 14 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 43) Finished k-point number 88 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 5) Finished k-point number 12 2 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 56) Finished k-point number 114 2 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 44) Finished k-point number 90 2 with #bands= 19 51) Finished k-point number 103 1 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 58) Finished k-point number 117 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 55) Finished k-point number 111 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 21) Finished k-point number 43 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 24) Finished k-point number 50 2 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 27) Finished k-point number 55 1 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 26) Finished k-point number 54 2 with #bands= 19 12) Finished k-point number 25 1 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 46) Finished k-point number 93 1 with #bands= 19 36) Finished k-point number 74 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 45) Finished k-point number 91 1 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 33) Finished k-point number 68 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 19 49) Finished k-point number 99 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 0) Finished k-point number 1 1 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 0) Finished k-point number 2 2 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 30) Finished k-point number 62 2 with #bands= 19 20) Finished k-point number 41 1 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.864682975478431 0.871839993214767 0.850025478912889 1) Finished k-point number 3 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 42) Finished k-point number 85 1 with #bands= 19 32) Finished k-point number 65 1 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 19 18) Finished k-point number 37 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 40) Finished k-point number 81 1 with #bands= 19 39) Finished k-point number 79 1 with #bands= 19 50) Finished k-point number 101 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 45) Finished k-point number 91 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 12) Finished k-point number 25 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 47) Finished k-point number 95 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 43) Finished k-point number 87 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 42) Finished k-point number 86 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 31) Finished k-point number 64 2 with #bands= 19 4) Finished k-point number 10 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 32) Finished k-point number 66 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 34) Finished k-point number 70 2 with #bands= 19 18) Finished k-point number 38 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 33) Finished k-point number 68 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 12) Finished k-point number 26 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 19 39) Finished k-point number 80 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 38) Finished k-point number 78 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 57) Finished k-point number 116 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 35) Finished k-point number 72 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 9.15361203768580 Density= 40.9853996069268 41.0000000000000 EF 9.42572586979938 Density= 41.4028071041248 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.69277814 0.67277814 0.402807 -0.146004E-01 1 0.68277814 0.67277815 0.226763 -0.146004E-01 2 0.67777814 0.67277838 0.136435 -0.146004E-01 3 0.67527826 0.67277851 0.605719E-01 -0.146004E-01 4 0.67402839 0.67277821 0.198681E-01 -0.146004E-01 5 0.67340330 0.67277860 0.144719E-02 -0.146004E-01 6 0.67335003 0.67340330 -0.442115E-04 0.144719E-02 7 0.67335161 0.67340330 -0.181304E-06 0.144719E-02 8 0.67335162 0.67335161 0.220268E-12 -0.181304E-06 Absolute convergence of |F(X)|. Difference in EF= 0.0078026525 EF set to : 9.1614146902 new EF (no-mixing): 9.1614146902 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.000860 tlogG= -0.016590 logG= -0.017451 Density= 0.095717 ETOT(band)= -0.068987 trlgG= -0.086714 logG= -0.017451 TDE= -0.133715 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000656 tlogG= -0.012480 logG= -0.013136 Density= 0.071864 ETOT(band)= -0.051680 trlgG= -0.065139 logG= -0.013136 TDE= -0.100393 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000869 tlogG= -0.016571 logG= -0.017440 Density= 0.095800 ETOT(band)= -0.068896 trlgG= -0.086707 logG= -0.017440 TDE= -0.133773 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001302 tlogG= -0.013009 logG= -0.014311 Density= 0.111631 ETOT(band)= -0.055893 trlgG= -0.071438 logG= -0.014311 TDE= -0.132294 logGD-logG0= -0.002693 tlogG= -0.048693 logG= -0.051386 Density= 0.288025 ETOT(band)= -0.205288 trlgG= -0.258930 logG= -0.051386 TDE= -0.401486 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 37) Finished k-point 75 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002633 tlogG= -0.049736 logG= -0.052369 Density= 0.287535 ETOT(band)= -0.206509 trlgG= -0.260338 logG= -0.052369 TDE= -0.401581 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002664 tlogG= -0.049187 logG= -0.051851 Density= 0.287780 ETOT(band)= -0.205876 trlgG= -0.259654 logG= -0.051851 TDE= -0.401580 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.005296 tlogG= -0.098663 logG= -0.103958 Density= 0.575398 ETOT(band)= -0.412179 trlgG= -0.519681 logG= -0.103958 TDE= -0.803168 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000964 tlogG= -0.014761 logG= -0.015725 Density= 0.097948 ETOT(band)= -0.065975 trlgG= -0.083007 logG= -0.015725 TDE= -0.133236 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002663 tlogG= -0.049241 logG= -0.051905 logGD-logG0= -0.005293 tlogG= -0.098925 logG= -0.104218 Density= 0.287724 ETOT(band)= -0.205864 trlgG= -0.259630 logG= -0.051905 TDE= -0.401465 Density= 0.575303 ETOT(band)= -0.412390 trlgG= -0.520009 logG= -0.104218 TDE= -0.803173 logGD-logG0= -0.000885 tlogG= -0.016318 logG= -0.017203 Density= 0.095952 ETOT(band)= -0.068550 trlgG= -0.086439 logG= -0.017203 TDE= -0.133845 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.001142 tlogG= -0.013671 logG= -0.014813 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 Density= 0.101615 ETOT(band)= -0.063041 trlgG= -0.079020 logG= -0.014813 TDE= -0.132630 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002648 tlogG= -0.049585 logG= -0.052233 Density= 0.287606 ETOT(band)= -0.206221 trlgG= -0.260077 logG= -0.052233 TDE= -0.401504 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000644 tlogG= -0.012431 logG= -0.013075 Density= 0.071774 ETOT(band)= -0.051742 trlgG= -0.065028 logG= -0.013075 TDE= -0.100283 logGD-logG0= -0.003561 tlogG= -0.040300 logG= -0.043861 Density= 0.317038 ETOT(band)= -0.180415 trlgG= -0.227854 logG= -0.043861 TDE= -0.397471 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 25 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002656 tlogG= -0.049389 logG= -0.052045 Density= 0.287685 ETOT(band)= -0.206055 trlgG= -0.259877 logG= -0.052045 TDE= -0.401545 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.001298 tlogG= -0.024910 logG= -0.026208 Density= 0.143638 ETOT(band)= -0.103444 trlgG= -0.130091 logG= -0.026208 TDE= -0.200603 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003420 tlogG= -0.041082 logG= -0.044502 Density= 0.318627 ETOT(band)= -0.179888 trlgG= -0.227904 logG= -0.044502 TDE= -0.397951 logGD-logG0= -0.002641 tlogG= -0.049701 logG= -0.052342 Density= 0.287568 ETOT(band)= -0.206390 trlgG= -0.260270 logG= -0.052342 TDE= -0.401562 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.001439 tlogG= -0.023518 logG= -0.024957 Density= 0.146359 ETOT(band)= -0.100621 trlgG= -0.126781 logG= -0.024957 TDE= -0.200375 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002629 tlogG= -0.049566 logG= -0.052195 Density= 0.287554 ETOT(band)= -0.206419 trlgG= -0.260083 logG= -0.052195 TDE= -0.401512 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002943 tlogG= -0.046650 logG= -0.049593 Density= 0.295348 ETOT(band)= -0.199196 trlgG= -0.251242 logG= -0.049593 TDE= -0.400522 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003113 tlogG= -0.044176 logG= -0.047289 Density= 0.308232 ETOT(band)= -0.188505 trlgG= -0.239233 logG= -0.047289 TDE= -0.399492 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003031 tlogG= -0.046173 logG= -0.049204 Density= 0.307511 ETOT(band)= -0.190712 trlgG= -0.242518 logG= -0.049204 TDE= -0.400378 logGD-logG0= -0.003020 tlogG= -0.043642 logG= -0.046662 Density= 0.294983 ETOT(band)= -0.196844 trlgG= -0.247320 logG= -0.046662 TDE= -0.399286 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002587 tlogG= -0.049817 logG= -0.052404 Density= 0.287197 ETOT(band)= -0.206957 trlgG= -0.260182 logG= -0.052404 TDE= -0.401163 logGD-logG0= -0.002913 tlogG= -0.046079 logG= -0.048992 Density= 0.293079 ETOT(band)= -0.200174 trlgG= -0.252022 logG= -0.048992 TDE= -0.400375 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 20) Finished k-point 41 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002817 tlogG= -0.047314 logG= -0.050131 Density= 0.292102 ETOT(band)= -0.201770 trlgG= -0.254306 logG= -0.050131 TDE= -0.400863 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002775 tlogG= -0.046340 logG= -0.049115 Density= 0.289043 ETOT(band)= -0.202536 trlgG= -0.255175 logG= -0.049115 TDE= -0.400688 logGD-logG0= -0.002599 tlogG= -0.049880 logG= -0.052479 Density= 0.287295 ETOT(band)= -0.206910 trlgG= -0.260322 logG= -0.052479 TDE= -0.401294 logGD-logG0= -0.002609 tlogG= -0.049794 logG= -0.052403 Density= 0.287384 ETOT(band)= -0.206760 trlgG= -0.260257 logG= -0.052403 TDE= -0.401364 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005963 tlogG= -0.091288 logG= -0.097251 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002679 tlogG= -0.048496 logG= -0.051176 Density= 0.592385 ETOT(band)= -0.395523 trlgG= -0.498590 logG= -0.097251 TDE= -0.800222 Density= 0.288054 ETOT(band)= -0.205096 trlgG= -0.258675 logG= -0.051176 TDE= -0.401461 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002622 tlogG= -0.049574 logG= -0.052197 Density= 0.287526 ETOT(band)= -0.206451 trlgG= -0.260053 logG= -0.052197 TDE= -0.401463 logGD-logG0= -0.002781 tlogG= -0.046474 logG= -0.049255 Density= 0.289590 ETOT(band)= -0.202357 trlgG= -0.254966 logG= -0.049255 TDE= -0.400708 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002627 tlogG= -0.049721 logG= -0.052348 Density= 0.287501 ETOT(band)= -0.206575 trlgG= -0.260289 logG= -0.052348 TDE= -0.401530 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002707 tlogG= -0.047890 logG= -0.050597 Density= 0.288311 ETOT(band)= -0.204383 trlgG= -0.257756 logG= -0.050597 TDE= -0.401294 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005468 tlogG= -0.095664 logG= -0.101132 Density= 0.577143 ETOT(band)= -0.408318 trlgG= -0.514695 logG= -0.101132 TDE= -0.802183 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002775 tlogG= -0.047644 logG= -0.050419 logGD-logG0= -0.002615 tlogG= -0.049895 logG= -0.052510 Density= 0.287400 ETOT(band)= -0.206800 trlgG= -0.260463 logG= -0.052510 TDE= -0.401475 Density= 0.290960 ETOT(band)= -0.202684 trlgG= -0.255558 logG= -0.050419 TDE= -0.401057 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005390 tlogG= -0.097064 logG= -0.102454 Density= 0.575969 ETOT(band)= -0.410208 trlgG= -0.517253 logG= -0.102454 TDE= -0.802628 logGD-logG0= -0.002727 tlogG= -0.047552 logG= -0.050280 Density= 0.288364 ETOT(band)= -0.204025 trlgG= -0.257191 logG= -0.050280 TDE= -0.401081 logGD-logG0= -0.002641 tlogG= -0.049382 logG= -0.052023 Density= 0.287662 ETOT(band)= -0.206158 trlgG= -0.259886 logG= -0.052023 TDE= -0.401560 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005793 tlogG= -0.089154 logG= -0.094947 Density= 0.586719 ETOT(band)= -0.397040 trlgG= -0.499482 logG= -0.094947 TDE= -0.799603 logGD-logG0= -0.005364 tlogG= -0.097259 logG= -0.102623 Density= 0.575978 ETOT(band)= -0.410483 trlgG= -0.517721 logG= -0.102623 TDE= -0.802933 logGD-logG0= -0.005533 tlogG= -0.093367 logG= -0.098900 Density= 0.577836 ETOT(band)= -0.405848 trlgG= -0.511312 logG= -0.098900 TDE= -0.801498 logGD-logG0= -0.005697 tlogG= -0.092791 logG= -0.098488 Density= 0.585040 ETOT(band)= -0.401409 trlgG= -0.505568 logG= -0.098488 TDE= -0.801018 22) Finished k-point 45 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002684 tlogG= -0.048671 logG= -0.051355 Density= 0.287903 ETOT(band)= -0.205264 trlgG= -0.258837 logG= -0.051355 TDE= -0.401342 logGD-logG0= -0.006212 tlogG= -0.086140 logG= -0.092352 Density= 0.602237 ETOT(band)= -0.384721 trlgG= -0.484694 logG= -0.092352 TDE= -0.797860 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.005567 tlogG= -0.092651 logG= -0.098218 Density= 0.578417 ETOT(band)= -0.404862 trlgG= -0.509798 logG= -0.098218 TDE= -0.801058 logGD-logG0= -0.005609 tlogG= -0.093541 logG= -0.099150 Density= 0.583032 ETOT(band)= -0.403152 trlgG= -0.508035 logG= -0.099150 TDE= -0.801471 logGD-logG0= -0.002733 tlogG= -0.047947 logG= -0.050680 Density= 0.288761 ETOT(band)= -0.204186 trlgG= -0.257479 logG= -0.050680 TDE= -0.401237 logGD-logG0= -0.002675 tlogG= -0.048862 logG= -0.051537 logGD-logG0= -0.005426 tlogG= -0.096026 logG= -0.101452 Density= 0.287865 ETOT(band)= -0.205485 trlgG= -0.259155 logG= -0.051537 TDE= -0.401452 Density= 0.576550 ETOT(band)= -0.409034 trlgG= -0.515818 logG= -0.101452 TDE= -0.802588 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002739 tlogG= -0.047259 logG= -0.049998 Density= 0.288419 ETOT(band)= -0.203719 trlgG= -0.256692 logG= -0.049998 TDE= -0.400900 logGD-logG0= -0.002673 tlogG= -0.048948 logG= -0.051621 Density= 0.287885 ETOT(band)= -0.205617 trlgG= -0.259333 logG= -0.051621 TDE= -0.401560 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005895 tlogG= -0.088141 logG= -0.094036 logGD-logG0= -0.005441 tlogG= -0.096210 logG= -0.101651 Density= 0.576669 ETOT(band)= -0.409111 trlgG= -0.515856 logG= -0.101651 TDE= -0.802506 Density= 0.588588 ETOT(band)= -0.395130 trlgG= -0.496680 logG= -0.094036 TDE= -0.798970 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.005371 tlogG= -0.097478 logG= -0.102850 Density= 0.575868 ETOT(band)= -0.410685 trlgG= -0.517948 logG= -0.102850 TDE= -0.802860 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000107 tlogG= -0.002070 logG= -0.002178 Density= 0.083735 ETOT(band)= -0.060365 trlgG= -0.075865 logG= -0.002178 TDE= -0.016713 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.000659 tlogG= -0.012452 logG= -0.013111 Density= 0.359450 ETOT(band)= -0.258016 trlgG= -0.325370 logG= -0.013111 TDE= -0.100391 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001289 tlogG= -0.024877 logG= -0.026166 Density= 0.239279 ETOT(band)= -0.172472 trlgG= -0.216784 logG= -0.026166 TDE= -0.200572 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002644 tlogG= -0.049451 logG= -0.052095 Density= 0.863047 ETOT(band)= -0.618412 trlgG= -0.779683 logG= -0.052095 TDE= -0.401596 logGD-logG0= -0.000913 tlogG= -0.015708 logG= -0.016621 Density= 0.168076 ETOT(band)= -0.119510 trlgG= -0.150652 logG= -0.016621 TDE= -0.133676 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000661 tlogG= -0.012426 logG= -0.013087 Density= 0.359498 ETOT(band)= -0.257807 trlgG= -0.325135 logG= -0.013087 TDE= -0.100379 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002629 tlogG= -0.049830 logG= -0.052459 Density= 0.575031 ETOT(band)= -0.413125 trlgG= -0.520785 logG= -0.052459 TDE= -0.401573 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002598 tlogG= -0.049791 logG= -0.052389 Density= 0.383109 ETOT(band)= -0.275729 trlgG= -0.346843 logG= -0.052389 TDE= -0.401208 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002653 tlogG= -0.049460 logG= -0.052113 logGD-logG0= -0.002646 tlogG= -0.049584 logG= -0.052230 Density= 0.575293 ETOT(band)= -0.412321 trlgG= -0.520002 logG= -0.052230 TDE= -0.401556 Density= 0.575370 ETOT(band)= -0.411956 trlgG= -0.519550 logG= -0.052113 TDE= -0.401493 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003720 tlogG= -0.039674 logG= -0.043394 Density= 0.431698 ETOT(band)= -0.233915 trlgG= -0.296488 logG= -0.043394 TDE= -0.397172 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002642 tlogG= -0.049579 logG= -0.052222 Density= 0.862910 ETOT(band)= -0.618718 trlgG= -0.780166 logG= -0.052222 TDE= -0.401596 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000653 tlogG= -0.012488 logG= -0.013141 Density= 0.359241 ETOT(band)= -0.258519 trlgG= -0.325595 logG= -0.013141 TDE= -0.100366 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000646 tlogG= -0.012453 logG= -0.013099 Density= 0.358989 ETOT(band)= -0.258702 trlgG= -0.325233 logG= -0.013099 TDE= -0.100293 logGD-logG0= -0.003190 tlogG= -0.042238 logG= -0.045428 Density= 0.404726 ETOT(band)= -0.254060 trlgG= -0.318920 logG= -0.045428 TDE= -0.398572 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 57) Finished k-point 116 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002639 tlogG= -0.049324 logG= -0.051963 Density= 0.383629 ETOT(band)= -0.274660 trlgG= -0.346233 logG= -0.051963 TDE= -0.401539 logGD-logG0= -0.002589 tlogG= -0.049815 logG= -0.052404 Density= 0.430866 ETOT(band)= -0.310372 trlgG= -0.390244 logG= -0.052404 TDE= -0.401154 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000649 tlogG= -0.012477 logG= -0.013126 Density= 0.359111 ETOT(band)= -0.258650 trlgG= -0.325410 logG= -0.013126 TDE= -0.100319 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002824 tlogG= -0.045398 logG= -0.048222 Density= 0.388431 ETOT(band)= -0.266831 trlgG= -0.335883 logG= -0.048222 TDE= -0.400251 logGD-logG0= -0.001364 tlogG= -0.024075 logG= -0.025439 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.433094 ETOT(band)= -0.306399 trlgG= -0.386382 logG= -0.025439 TDE= -0.200651 logGD-logG0= -0.003011 tlogG= -0.043326 logG= -0.046337 Density= 0.445459 ETOT(band)= -0.294773 trlgG= -0.370897 logG= -0.046337 TDE= -0.399179 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.001313 tlogG= -0.024826 logG= -0.026139 Density= 0.431308 ETOT(band)= -0.309684 trlgG= -0.390175 logG= -0.026139 TDE= -0.200751 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002705 tlogG= -0.048006 logG= -0.050712 Density= 0.576260 ETOT(band)= -0.409816 trlgG= -0.516861 logG= -0.050712 TDE= -0.401303 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001510 tlogG= -0.023221 logG= -0.024731 Density= 0.461226 ETOT(band)= -0.286210 trlgG= -0.363990 logG= -0.024731 TDE= -0.200245 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001334 tlogG= -0.024547 logG= -0.025881 Density= 0.431798 ETOT(band)= -0.308511 trlgG= -0.389103 logG= -0.025881 TDE= -0.200793 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002715 tlogG= -0.048299 logG= -0.051014 Density= 0.864934 ETOT(band)= -0.613882 trlgG= -0.774078 logG= -0.051014 TDE= -0.401311 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002660 tlogG= -0.049132 logG= -0.051792 Density= 0.575561 ETOT(band)= -0.411694 trlgG= -0.519221 logG= -0.051792 TDE= -0.401552 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002690 tlogG= -0.048706 logG= -0.051395 Density= 0.863899 ETOT(band)= -0.615497 trlgG= -0.776126 logG= -0.051395 TDE= -0.401357 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.003095 tlogG= -0.042737 logG= -0.045833 Density= 0.596360 ETOT(band)= -0.391770 trlgG= -0.493202 logG= -0.045833 TDE= -0.398815 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002619 tlogG= -0.049827 logG= -0.052446 Density= 0.574937 ETOT(band)= -0.413288 trlgG= -0.520676 logG= -0.052446 TDE= -0.401487 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002603 tlogG= -0.049845 logG= -0.052448 Density= 0.574713 ETOT(band)= -0.413612 trlgG= -0.520541 logG= -0.052448 TDE= -0.401310 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005225 tlogG= -0.099479 logG= -0.104705 Density= 0.862371 ETOT(band)= -0.619815 trlgG= -0.780469 logG= -0.104705 TDE= -0.802784 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003187 tlogG= -0.042673 logG= -0.045860 Density= 0.628517 ETOT(band)= -0.366064 trlgG= -0.463869 logG= -0.045860 TDE= -0.398769 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006615 tlogG= -0.083155 logG= -0.089770 Density= 0.931864 ETOT(band)= -0.555721 trlgG= -0.699963 logG= -0.089770 TDE= -0.796333 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002956 tlogG= -0.044982 logG= -0.047938 Density= 0.588547 ETOT(band)= -0.395740 trlgG= -0.497490 logG= -0.047938 TDE= -0.399903 logGD-logG0= -0.003062 tlogG= -0.045389 logG= -0.048451 Density= 0.615995 ETOT(band)= -0.378372 trlgG= -0.480490 logG= -0.048451 TDE= -0.400039 logGD-logG0= -0.002831 tlogG= -0.045220 logG= -0.048051 Density= 0.582484 ETOT(band)= -0.402525 trlgG= -0.506881 logG= -0.048051 TDE= -0.400052 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002681 tlogG= -0.048905 logG= -0.051585 Density= 0.863748 ETOT(band)= -0.616208 trlgG= -0.777160 logG= -0.051585 TDE= -0.401471 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002887 tlogG= -0.046792 logG= -0.049678 Density= 0.585887 ETOT(band)= -0.401146 trlgG= -0.505197 logG= -0.049678 TDE= -0.400659 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005904 tlogG= -0.092780 logG= -0.098685 Density= 1.183449 ETOT(band)= -0.793220 trlgG= -1.000116 logG= -0.098685 TDE= -0.800835 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002751 tlogG= -0.047362 logG= -0.050113 Density= 0.578648 ETOT(band)= -0.405837 trlgG= -0.511482 logG= -0.050113 TDE= -0.401040 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005320 tlogG= -0.097999 logG= -0.103319 Density= 0.863737 ETOT(band)= -0.616480 trlgG= -0.777458 logG= -0.103319 TDE= -0.803101 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002809 tlogG= -0.045650 logG= -0.048459 Density= 0.580692 ETOT(band)= -0.404197 trlgG= -0.509243 logG= -0.048459 TDE= -0.400318 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005649 tlogG= -0.094157 logG= -0.099806 Density= 1.169453 ETOT(band)= -0.804409 trlgG= -1.013413 logG= -0.099806 TDE= -0.801554 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002685 tlogG= -0.048527 logG= -0.051213 logGD-logG0= -0.002728 tlogG= -0.048036 logG= -0.050764 Density= 0.865641 ETOT(band)= -0.612702 trlgG= -0.772355 logG= -0.050764 TDE= -0.401156 Density= 0.576362 ETOT(band)= -0.409510 trlgG= -0.516478 logG= -0.051213 TDE= -0.401469 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005475 tlogG= -0.095079 logG= -0.100554 logGD-logG0= -0.005337 tlogG= -0.098188 logG= -0.103525 Density= 0.863440 ETOT(band)= -0.616683 trlgG= -0.777694 logG= -0.103525 TDE= -0.802871 Density= 1.154925 ETOT(band)= -0.813687 trlgG= -1.025408 logG= -0.100554 TDE= -0.802127 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005565 tlogG= -0.094837 logG= -0.100402 Density= 1.165234 ETOT(band)= -0.807952 trlgG= -1.018365 logG= -0.100402 TDE= -0.801954 logGD-logG0= -0.005338 tlogG= -0.098085 logG= -0.103423 logGD-logG0= -0.005477 tlogG= -0.094508 logG= -0.099985 Density= 0.866214 ETOT(band)= -0.609812 trlgG= -0.768607 logG= -0.099985 TDE= -0.802086 Density= 1.151644 ETOT(band)= -0.821905 trlgG= -1.036622 logG= -0.103423 TDE= -0.803104 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 38) Finished k-point 78 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005402 tlogG= -0.096538 logG= -0.101939 Density= 0.864555 ETOT(band)= -0.613677 trlgG= -0.773764 logG= -0.101939 TDE= -0.802613 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005322 tlogG= -0.098504 logG= -0.103826 Density= 0.863325 ETOT(band)= -0.617298 trlgG= -0.778538 logG= -0.103826 TDE= -0.803044 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005261 tlogG= -0.099268 logG= -0.104529 Density= 0.862748 ETOT(band)= -0.619092 trlgG= -0.780265 logG= -0.104529 TDE= -0.803085 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005505 tlogG= -0.094472 logG= -0.099977 Density= 1.156011 ETOT(band)= -0.811846 trlgG= -1.022616 logG= -0.099977 TDE= -0.801765 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005396 tlogG= -0.097033 logG= -0.102430 Density= 1.152726 ETOT(band)= -0.819214 trlgG= -1.033160 logG= -0.102430 TDE= -0.802881 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005685 tlogG= -0.091566 logG= -0.097251 Density= 1.171104 ETOT(band)= -0.797622 trlgG= -1.003918 logG= -0.097251 TDE= -0.800682 logGD-logG0= -0.006059 tlogG= -0.088978 logG= -0.095037 logGD-logG0= -0.005423 tlogG= -0.096051 logG= -0.101474 Density= 0.864706 ETOT(band)= -0.612841 trlgG= -0.772443 logG= -0.101474 TDE= -0.802321 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 1.197390 ETOT(band)= -0.776396 trlgG= -0.978184 logG= -0.095037 TDE= -0.799200 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005777 tlogG= -0.090697 logG= -0.096475 Density= 1.174686 ETOT(band)= -0.794031 trlgG= -0.998645 logG= -0.096475 TDE= -0.800140 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Sum of eigenvalues= -386.718389556903 eV TrLogG= -487.233306129569 eV Ratio to renormalize= 1.000557855486 rho-rho_expected=-0.022859322742 nargs= 1 argi=dmft2.def 59) Finished k-point number 119 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 28) Finished k-point number 58 2 with #bands= 19 58) Finished k-point number 118 2 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 29) Finished k-point number 60 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 33) Finished k-point number 68 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 56) Finished k-point number 113 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 56) Finished k-point number 114 2 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 38) Finished k-point number 77 1 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 21) Finished k-point number 43 1 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 21) Finished k-point number 44 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 46) Finished k-point number 93 1 with #bands= 19 25) Finished k-point number 51 1 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 16) Finished k-point number 34 2 with #bands= 19 4) Finished k-point number 10 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 1) Finished k-point number 4 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 57) Finished k-point number 116 2 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 24) Finished k-point number 50 2 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 36) Finished k-point number 73 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 32) Finished k-point number 65 1 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 37) Finished k-point number 75 1 with #bands= 19 10) Finished k-point number 22 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 0) Finished k-point number 1 1 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 0) Finished k-point number 2 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 35) Finished k-point number 72 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.864682719738399 0.871839932206550 0.850025068048392 58) Finished k-point number 117 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 42) Finished k-point number 85 1 with #bands= 19 37) Finished k-point number 75 1 with #bands= 19 4) Finished k-point number 9 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 19 31) Finished k-point number 63 1 with #bands= 19 16) Finished k-point number 33 1 with #bands= 19 30) Finished k-point number 61 1 with #bands= 19 1) Finished k-point number 3 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 21) Finished k-point number 43 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 17) Finished k-point number 35 1 with #bands= 19 19) Finished k-point number 39 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 3) Finished k-point number 8 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 4) Finished k-point number 10 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 2) Finished k-point number 6 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 1) Finished k-point number 4 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 12) Finished k-point number 26 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 31) Finished k-point number 64 2 with #bands= 19 17) Finished k-point number 36 2 with #bands= 19 32) Finished k-point number 66 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 19 15) Finished k-point number 32 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 43) Finished k-point number 88 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 36) Finished k-point number 74 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 25) Finished k-point number 52 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 9.16141469022137 Density= 41.0005466698098 41.0000000000000 EF 8.88930085810778 Density= 40.6712907423188 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.67335162 0.65335162 0.546670E-03 -0.328709 1 0.67331841 0.67335162 -0.379876E-03 0.546670E-03 2 0.67333203 0.67335162 -0.592964E-06 0.546670E-03 3 0.67333205 0.67333203 0.217426E-11 -0.592964E-06 Absolute convergence of |F(X)|. Difference in EF= -0.0002662741 EF set to : 9.1611484162 new EF (no-mixing): 9.1611484162 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.000860 tlogG= -0.016590 logG= -0.017450 Density= 0.095717 ETOT(band)= -0.068987 trlgG= -0.086714 logG= -0.017450 TDE= -0.133713 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000869 tlogG= -0.016570 logG= -0.017439 Density= 0.095800 ETOT(band)= -0.068896 trlgG= -0.086707 logG= -0.017439 TDE= -0.133772 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001302 tlogG= -0.013008 logG= -0.014310 logGD-logG0= -0.000644 tlogG= -0.012430 logG= -0.013074 Density= 0.071774 ETOT(band)= -0.051742 trlgG= -0.065028 logG= -0.013074 TDE= -0.100282 Density= 0.111631 ETOT(band)= -0.055893 trlgG= -0.071438 logG= -0.014310 TDE= -0.132293 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 25 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005296 tlogG= -0.098658 logG= -0.103954 logGD-logG0= -0.002633 tlogG= -0.049734 logG= -0.052367 Density= 0.287535 ETOT(band)= -0.206511 trlgG= -0.260338 logG= -0.052367 TDE= -0.401577 Density= 0.575398 ETOT(band)= -0.412184 trlgG= -0.519681 logG= -0.103954 TDE= -0.803161 logGD-logG0= -0.002693 tlogG= -0.048690 logG= -0.051383 Density= 0.288025 ETOT(band)= -0.205290 trlgG= -0.258929 logG= -0.051383 TDE= -0.401482 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 37) Finished k-point 75 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.000964 tlogG= -0.014761 logG= -0.015724 Density= 0.097948 ETOT(band)= -0.065976 trlgG= -0.083007 logG= -0.015724 TDE= -0.133234 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.001142 tlogG= -0.013670 logG= -0.014812 Density= 0.101615 ETOT(band)= -0.063042 trlgG= -0.079020 logG= -0.014812 TDE= -0.132629 logGD-logG0= -0.001298 tlogG= -0.024909 logG= -0.026207 Density= 0.143638 ETOT(band)= -0.103445 trlgG= -0.130091 logG= -0.026207 TDE= -0.200601 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002663 tlogG= -0.049239 logG= -0.051902 Density= 0.287724 ETOT(band)= -0.205866 trlgG= -0.259630 logG= -0.051902 TDE= -0.401462 logGD-logG0= -0.002664 tlogG= -0.049185 logG= -0.051849 Density= 0.287780 ETOT(band)= -0.205878 trlgG= -0.259654 logG= -0.051849 TDE= -0.401577 logGD-logG0= -0.005293 tlogG= -0.098920 logG= -0.104213 Density= 0.575303 ETOT(band)= -0.412394 trlgG= -0.520009 logG= -0.104213 TDE= -0.803165 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.000656 tlogG= -0.012480 logG= -0.013136 Density= 0.071864 ETOT(band)= -0.051681 trlgG= -0.065139 logG= -0.013136 TDE= -0.100392 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000885 tlogG= -0.016317 logG= -0.017202 Density= 0.095952 ETOT(band)= -0.068550 trlgG= -0.086439 logG= -0.017202 TDE= -0.133844 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002648 tlogG= -0.049583 logG= -0.052231 Density= 0.287606 ETOT(band)= -0.206223 trlgG= -0.260077 logG= -0.052231 TDE= -0.401500 logGD-logG0= -0.003561 tlogG= -0.040298 logG= -0.043858 Density= 0.317039 ETOT(band)= -0.180417 trlgG= -0.227854 logG= -0.043858 TDE= -0.397467 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.003420 tlogG= -0.041079 logG= -0.044499 Density= 0.318628 ETOT(band)= -0.179890 trlgG= -0.227904 logG= -0.044499 TDE= -0.397947 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.001439 tlogG= -0.023517 logG= -0.024956 Density= 0.146359 ETOT(band)= -0.100622 trlgG= -0.126781 logG= -0.024956 TDE= -0.200373 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003113 tlogG= -0.044174 logG= -0.047287 Density= 0.308232 ETOT(band)= -0.188507 trlgG= -0.239233 logG= -0.047287 TDE= -0.399489 logGD-logG0= -0.003031 tlogG= -0.046171 logG= -0.049202 Density= 0.307511 ETOT(band)= -0.190714 trlgG= -0.242518 logG= -0.049202 TDE= -0.400374 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002641 tlogG= -0.049698 logG= -0.052340 Density= 0.287568 ETOT(band)= -0.206392 trlgG= -0.260270 logG= -0.052340 TDE= -0.401558 logGD-logG0= -0.002943 tlogG= -0.046648 logG= -0.049590 Density= 0.295348 ETOT(band)= -0.199198 trlgG= -0.251241 logG= -0.049590 TDE= -0.400519 logGD-logG0= -0.002817 tlogG= -0.047312 logG= -0.050128 Density= 0.292103 ETOT(band)= -0.201772 trlgG= -0.254306 logG= -0.050128 TDE= -0.400860 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002775 tlogG= -0.046338 logG= -0.049113 Density= 0.289043 ETOT(band)= -0.202538 trlgG= -0.255175 logG= -0.049113 TDE= -0.400684 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005697 tlogG= -0.092786 logG= -0.098483 logGD-logG0= -0.002679 tlogG= -0.048494 logG= -0.051174 Density= 0.288054 ETOT(band)= -0.205098 trlgG= -0.258675 logG= -0.051174 TDE= -0.401457 Density= 0.585040 ETOT(band)= -0.401413 trlgG= -0.505567 logG= -0.098483 TDE= -0.801010 logGD-logG0= -0.002609 tlogG= -0.049792 logG= -0.052401 Density= 0.287384 ETOT(band)= -0.206763 trlgG= -0.260257 logG= -0.052401 TDE= -0.401360 logGD-logG0= -0.002629 tlogG= -0.049564 logG= -0.052193 Density= 0.287553 ETOT(band)= -0.206421 trlgG= -0.260083 logG= -0.052193 TDE= -0.401509 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002781 tlogG= -0.046471 logG= -0.049252 Density= 0.289590 ETOT(band)= -0.202359 trlgG= -0.254966 logG= -0.049252 TDE= -0.400704 logGD-logG0= -0.002587 tlogG= -0.049815 logG= -0.052401 Density= 0.287197 ETOT(band)= -0.206959 trlgG= -0.260182 logG= -0.052401 TDE= -0.401159 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002707 tlogG= -0.047888 logG= -0.050595 Density= 0.288311 ETOT(band)= -0.204385 trlgG= -0.257756 logG= -0.050595 TDE= -0.401290 logGD-logG0= -0.002733 tlogG= -0.047945 logG= -0.050678 Density= 0.288761 ETOT(band)= -0.204188 trlgG= -0.257479 logG= -0.050678 TDE= -0.401233 logGD-logG0= -0.005963 tlogG= -0.091283 logG= -0.097246 Density= 0.592385 ETOT(band)= -0.395527 trlgG= -0.498589 logG= -0.097246 TDE= -0.800215 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002740 tlogG= -0.047257 logG= -0.049996 Density= 0.288418 ETOT(band)= -0.203721 trlgG= -0.256692 logG= -0.049996 TDE= -0.400897 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005468 tlogG= -0.095660 logG= -0.101128 Density= 0.577143 ETOT(band)= -0.408322 trlgG= -0.514695 logG= -0.101128 TDE= -0.802176 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002627 tlogG= -0.049719 logG= -0.052346 Density= 0.287500 ETOT(band)= -0.206577 trlgG= -0.260289 logG= -0.052346 TDE= -0.401527 logGD-logG0= -0.005390 tlogG= -0.097059 logG= -0.102450 Density= 0.575969 ETOT(band)= -0.410213 trlgG= -0.517252 logG= -0.102450 TDE= -0.802621 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002641 tlogG= -0.049380 logG= -0.052021 Density= 0.287662 ETOT(band)= -0.206160 trlgG= -0.259886 logG= -0.052021 TDE= -0.401557 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002622 tlogG= -0.049572 logG= -0.052195 Density= 0.287526 ETOT(band)= -0.206454 trlgG= -0.260053 logG= -0.052195 TDE= -0.401459 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005364 tlogG= -0.097254 logG= -0.102619 Density= 0.575978 ETOT(band)= -0.410487 trlgG= -0.517720 logG= -0.102619 TDE= -0.802926 logGD-logG0= -0.002684 tlogG= -0.048669 logG= -0.051353 Density= 0.287903 ETOT(band)= -0.205266 trlgG= -0.258837 logG= -0.051353 TDE= -0.401338 logGD-logG0= -0.005895 tlogG= -0.088136 logG= -0.094032 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.006212 tlogG= -0.086135 logG= -0.092347 Density= 0.602238 ETOT(band)= -0.384725 trlgG= -0.484693 logG= -0.092347 TDE= -0.797852 Density= 0.588588 ETOT(band)= -0.395133 trlgG= -0.496679 logG= -0.094032 TDE= -0.798963 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002599 tlogG= -0.049878 logG= -0.052477 Density= 0.287295 ETOT(band)= -0.206912 trlgG= -0.260322 logG= -0.052477 TDE= -0.401290 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002615 tlogG= -0.049893 logG= -0.052508 Density= 0.287400 ETOT(band)= -0.206802 trlgG= -0.260463 logG= -0.052508 TDE= -0.401471 logGD-logG0= -0.002673 tlogG= -0.048946 logG= -0.051619 Density= 0.287884 ETOT(band)= -0.205619 trlgG= -0.259333 logG= -0.051619 TDE= -0.401556 logGD-logG0= -0.002656 tlogG= -0.049386 logG= -0.052042 Density= 0.287685 ETOT(band)= -0.206057 trlgG= -0.259877 logG= -0.052042 TDE= -0.401542 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.005426 tlogG= -0.096022 logG= -0.101447 Density= 0.576550 ETOT(band)= -0.409038 trlgG= -0.515818 logG= -0.101447 TDE= -0.802580 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002675 tlogG= -0.048860 logG= -0.051535 Density= 0.287865 ETOT(band)= -0.205487 trlgG= -0.259155 logG= -0.051535 TDE= -0.401449 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005567 tlogG= -0.092646 logG= -0.098213 Density= 0.578417 ETOT(band)= -0.404866 trlgG= -0.509797 logG= -0.098213 TDE= -0.801051 logGD-logG0= -0.002913 tlogG= -0.046077 logG= -0.048990 Density= 0.293079 ETOT(band)= -0.200176 trlgG= -0.252021 logG= -0.048990 TDE= -0.400371 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 20) Finished k-point 41 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005793 tlogG= -0.089149 logG= -0.094942 Density= 0.586719 ETOT(band)= -0.397043 trlgG= -0.499481 logG= -0.094942 TDE= -0.799596 22) Finished k-point 45 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002727 tlogG= -0.047550 logG= -0.050277 Density= 0.288364 ETOT(band)= -0.204028 trlgG= -0.257191 logG= -0.050277 TDE= -0.401078 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002775 tlogG= -0.047642 logG= -0.050417 Density= 0.290960 ETOT(band)= -0.202686 trlgG= -0.255558 logG= -0.050417 TDE= -0.401054 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005533 tlogG= -0.093363 logG= -0.098896 Density= 0.577836 ETOT(band)= -0.405852 trlgG= -0.511311 logG= -0.098896 TDE= -0.801491 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005441 tlogG= -0.096206 logG= -0.101647 Density= 0.576669 ETOT(band)= -0.409115 trlgG= -0.515856 logG= -0.101647 TDE= -0.802498 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003020 tlogG= -0.043640 logG= -0.046660 Density= 0.294984 ETOT(band)= -0.196846 trlgG= -0.247320 logG= -0.046660 TDE= -0.399282 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005609 tlogG= -0.093536 logG= -0.099145 Density= 0.583033 ETOT(band)= -0.403156 trlgG= -0.508034 logG= -0.099145 TDE= -0.801464 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005371 tlogG= -0.097474 logG= -0.102845 Density= 0.575868 ETOT(band)= -0.410689 trlgG= -0.517948 logG= -0.102845 TDE= -0.802853 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000107 tlogG= -0.002070 logG= -0.002178 Density= 0.083735 ETOT(band)= -0.060366 trlgG= -0.075865 logG= -0.002178 TDE= -0.016713 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.001289 tlogG= -0.024876 logG= -0.026165 Density= 0.239279 ETOT(band)= -0.172474 trlgG= -0.216784 logG= -0.026165 TDE= -0.200570 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002598 tlogG= -0.049789 logG= -0.052387 Density= 0.383109 ETOT(band)= -0.275731 trlgG= -0.346843 logG= -0.052387 TDE= -0.401204 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002644 tlogG= -0.049449 logG= -0.052093 Density= 0.863047 ETOT(band)= -0.618418 trlgG= -0.779683 logG= -0.052093 TDE= -0.401592 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002589 tlogG= -0.049812 logG= -0.052402 Density= 0.430866 ETOT(band)= -0.310375 trlgG= -0.390244 logG= -0.052402 TDE= -0.401151 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000661 tlogG= -0.012426 logG= -0.013087 Density= 0.359498 ETOT(band)= -0.257809 trlgG= -0.325135 logG= -0.013087 TDE= -0.100378 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002653 tlogG= -0.049457 logG= -0.052111 Density= 0.575370 ETOT(band)= -0.411960 trlgG= -0.519549 logG= -0.052111 TDE= -0.401490 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002629 tlogG= -0.049828 logG= -0.052457 Density= 0.575031 ETOT(band)= -0.413129 trlgG= -0.520784 logG= -0.052457 TDE= -0.401569 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000913 tlogG= -0.015708 logG= -0.016620 logGD-logG0= -0.002643 tlogG= -0.049577 logG= -0.052220 Density= 0.168076 ETOT(band)= -0.119511 trlgG= -0.150652 logG= -0.016620 TDE= -0.133674 Density= 0.862910 ETOT(band)= -0.618724 trlgG= -0.780166 logG= -0.052220 TDE= -0.401592 logGD-logG0= -0.003720 tlogG= -0.039672 logG= -0.043392 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.431698 ETOT(band)= -0.233918 trlgG= -0.296488 logG= -0.043392 TDE= -0.397169 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.001364 tlogG= -0.024074 logG= -0.025437 Density= 0.433094 ETOT(band)= -0.306402 trlgG= -0.386381 logG= -0.025437 TDE= -0.200649 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003190 tlogG= -0.042236 logG= -0.045426 Density= 0.404726 ETOT(band)= -0.254062 trlgG= -0.318919 logG= -0.045426 TDE= -0.398568 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002824 tlogG= -0.045396 logG= -0.048220 Density= 0.388432 ETOT(band)= -0.266833 trlgG= -0.335882 logG= -0.048220 TDE= -0.400248 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.001334 tlogG= -0.024546 logG= -0.025880 Density= 0.431798 ETOT(band)= -0.308515 trlgG= -0.389103 logG= -0.025880 TDE= -0.200791 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003011 tlogG= -0.043323 logG= -0.046334 Density= 0.445460 ETOT(band)= -0.294776 trlgG= -0.370896 logG= -0.046334 TDE= -0.399175 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002705 tlogG= -0.048004 logG= -0.050709 Density= 0.576259 ETOT(band)= -0.409820 trlgG= -0.516861 logG= -0.050709 TDE= -0.401299 logGD-logG0= -0.001510 tlogG= -0.023220 logG= -0.024730 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.461226 ETOT(band)= -0.286213 trlgG= -0.363990 logG= -0.024730 TDE= -0.200243 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002660 tlogG= -0.049130 logG= -0.051789 Density= 0.575560 ETOT(band)= -0.411699 trlgG= -0.519221 logG= -0.051789 TDE= -0.401549 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002690 tlogG= -0.048703 logG= -0.051393 Density= 0.863899 ETOT(band)= -0.615503 trlgG= -0.776126 logG= -0.051393 TDE= -0.401353 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.003187 tlogG= -0.042671 logG= -0.045858 Density= 0.628518 ETOT(band)= -0.366068 trlgG= -0.463869 logG= -0.045858 TDE= -0.398766 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003095 tlogG= -0.042735 logG= -0.045830 Density= 0.596361 ETOT(band)= -0.391774 trlgG= -0.493201 logG= -0.045830 TDE= -0.398811 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002831 tlogG= -0.045218 logG= -0.048049 Density= 0.582484 ETOT(band)= -0.402529 trlgG= -0.506880 logG= -0.048049 TDE= -0.400048 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003062 tlogG= -0.045387 logG= -0.048449 Density= 0.615995 ETOT(band)= -0.378377 trlgG= -0.480490 logG= -0.048449 TDE= -0.400035 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006615 tlogG= -0.083150 logG= -0.089765 Density= 0.931864 ETOT(band)= -0.555727 trlgG= -0.699962 logG= -0.089765 TDE= -0.796325 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.005649 tlogG= -0.094152 logG= -0.099802 Density= 1.169453 ETOT(band)= -0.804416 trlgG= -1.013411 logG= -0.099802 TDE= -0.801546 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005905 tlogG= -0.092776 logG= -0.098680 logGD-logG0= -0.002751 tlogG= -0.047360 logG= -0.050111 Density= 0.578648 ETOT(band)= -0.405841 trlgG= -0.511481 logG= -0.050111 TDE= -0.401036 Density= 1.183449 ETOT(band)= -0.793229 trlgG= -1.000116 logG= -0.098680 TDE= -0.800828 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002715 tlogG= -0.048297 logG= -0.051012 Density= 0.864934 ETOT(band)= -0.613889 trlgG= -0.774077 logG= -0.051012 TDE= -0.401307 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.005320 tlogG= -0.097994 logG= -0.103314 logGD-logG0= -0.005423 tlogG= -0.096047 logG= -0.101469 Density= 0.864705 ETOT(band)= -0.612848 trlgG= -0.772442 logG= -0.101469 TDE= -0.802314 Density= 0.863737 ETOT(band)= -0.616487 trlgG= -0.777457 logG= -0.103314 TDE= -0.803094 logGD-logG0= -0.002728 tlogG= -0.048034 logG= -0.050762 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.865641 ETOT(band)= -0.612709 trlgG= -0.772354 logG= -0.050762 TDE= -0.401152 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002685 tlogG= -0.048525 logG= -0.051210 Density= 0.576362 ETOT(band)= -0.409515 trlgG= -0.516477 logG= -0.051210 TDE= -0.401465 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005337 tlogG= -0.098183 logG= -0.103520 Density= 0.863440 ETOT(band)= -0.616690 trlgG= -0.777694 logG= -0.103520 TDE= -0.802864 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005477 tlogG= -0.094503 logG= -0.099980 Density= 0.866214 ETOT(band)= -0.609818 trlgG= -0.768607 logG= -0.099980 TDE= -0.802079 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002681 tlogG= -0.048902 logG= -0.051583 Density= 0.863748 ETOT(band)= -0.616214 trlgG= -0.777159 logG= -0.051583 TDE= -0.401468 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.005338 tlogG= -0.098080 logG= -0.103418 Density= 1.151643 ETOT(band)= -0.821913 trlgG= -1.036622 logG= -0.103418 TDE= -0.803097 logGD-logG0= -0.005777 tlogG= -0.090693 logG= -0.096470 Density= 1.174687 ETOT(band)= -0.794039 trlgG= -0.998643 logG= -0.096470 TDE= -0.800132 38) Finished k-point 78 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005261 tlogG= -0.099263 logG= -0.104524 Density= 0.862747 ETOT(band)= -0.619098 trlgG= -0.780264 logG= -0.104524 TDE= -0.803078 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005322 tlogG= -0.098499 logG= -0.103821 Density= 0.863324 ETOT(band)= -0.617304 trlgG= -0.778537 logG= -0.103821 TDE= -0.803037 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006059 tlogG= -0.088973 logG= -0.095032 Density= 1.197392 ETOT(band)= -0.776403 trlgG= -0.978182 logG= -0.095032 TDE= -0.799193 logGD-logG0= -0.000646 tlogG= -0.012453 logG= -0.013099 Density= 0.358989 ETOT(band)= -0.258704 trlgG= -0.325233 logG= -0.013099 TDE= -0.100292 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 57) Finished k-point 116 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005397 tlogG= -0.097029 logG= -0.102425 Density= 1.152725 ETOT(band)= -0.819222 trlgG= -1.033160 logG= -0.102425 TDE= -0.802873 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000653 tlogG= -0.012487 logG= -0.013140 Density= 0.359241 ETOT(band)= -0.258521 trlgG= -0.325595 logG= -0.013140 TDE= -0.100365 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000659 tlogG= -0.012452 logG= -0.013111 Density= 0.359450 ETOT(band)= -0.258019 trlgG= -0.325370 logG= -0.013111 TDE= -0.100390 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002639 tlogG= -0.049322 logG= -0.051961 Density= 0.383629 ETOT(band)= -0.274663 trlgG= -0.346233 logG= -0.051961 TDE= -0.401535 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005505 tlogG= -0.094468 logG= -0.099972 Density= 1.156011 ETOT(band)= -0.811854 trlgG= -1.022615 logG= -0.099972 TDE= -0.801758 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005565 tlogG= -0.094832 logG= -0.100397 Density= 1.165235 ETOT(band)= -0.807959 trlgG= -1.018363 logG= -0.100397 TDE= -0.801947 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002646 tlogG= -0.049582 logG= -0.052228 Density= 0.575293 ETOT(band)= -0.412325 trlgG= -0.520001 logG= -0.052228 TDE= -0.401552 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.001313 tlogG= -0.024825 logG= -0.026138 Density= 0.431308 ETOT(band)= -0.309688 trlgG= -0.390175 logG= -0.026138 TDE= -0.200749 logGD-logG0= -0.002603 tlogG= -0.049843 logG= -0.052446 Density= 0.574713 ETOT(band)= -0.413617 trlgG= -0.520540 logG= -0.052446 TDE= -0.401306 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000649 tlogG= -0.012476 logG= -0.013125 Density= 0.359111 ETOT(band)= -0.258653 trlgG= -0.325410 logG= -0.013125 TDE= -0.100318 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002619 tlogG= -0.049825 logG= -0.052443 Density= 0.574937 ETOT(band)= -0.413292 trlgG= -0.520676 logG= -0.052443 TDE= -0.401483 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005226 tlogG= -0.099475 logG= -0.104700 Density= 0.862371 ETOT(band)= -0.619822 trlgG= -0.780468 logG= -0.104700 TDE= -0.802776 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002887 tlogG= -0.046789 logG= -0.049676 Density= 0.585887 ETOT(band)= -0.401150 trlgG= -0.505196 logG= -0.049676 TDE= -0.400656 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002809 tlogG= -0.045647 logG= -0.048456 Density= 0.580692 ETOT(band)= -0.404200 trlgG= -0.509242 logG= -0.048456 TDE= -0.400314 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002956 tlogG= -0.044979 logG= -0.047936 Density= 0.588547 ETOT(band)= -0.395744 trlgG= -0.497489 logG= -0.047936 TDE= -0.399899 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005402 tlogG= -0.096533 logG= -0.101935 Density= 0.864555 ETOT(band)= -0.613684 trlgG= -0.773763 logG= -0.101935 TDE= -0.802606 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005685 tlogG= -0.091561 logG= -0.097246 Density= 1.171105 ETOT(band)= -0.797630 trlgG= -1.003916 logG= -0.097246 TDE= -0.800675 logGD-logG0= -0.005475 tlogG= -0.095075 logG= -0.100550 Density= 1.154925 ETOT(band)= -0.813695 trlgG= -1.025407 logG= -0.100550 TDE= -0.802119 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Sum of eigenvalues= -386.722325400837 eV TrLogG= -487.232894812935 eV Ratio to renormalize= 1.000557730127 rho-rho_expected=-0.022854188720 nargs= 1 argi=dmft2.def 15) Finished k-point number 31 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 20) Finished k-point number 42 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 26) Finished k-point number 54 2 with #bands= 19 24) Finished k-point number 50 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 46) Finished k-point number 93 1 with #bands= 19 9) Finished k-point number 20 2 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 38) Finished k-point number 77 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 34) Finished k-point number 69 1 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 51) Finished k-point number 103 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 53) Finished k-point number 108 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 12) Finished k-point number 25 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 51) Finished k-point number 104 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 55) Finished k-point number 111 1 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 5) Finished k-point number 12 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 6) Finished k-point number 14 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 56) Finished k-point number 114 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 22) Finished k-point number 46 2 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 29) Finished k-point number 59 1 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 11) Finished k-point number 23 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 54) Finished k-point number 110 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 19 31) Finished k-point number 63 1 with #bands= 19 31) Finished k-point number 64 2 with #bands= 19 50) Finished k-point number 101 1 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.864700911703270 0.871857622879203 0.850044776414923 0) Finished k-point number 1 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 18) Finished k-point number 37 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 41) Finished k-point number 83 1 with #bands= 19 50) Finished k-point number 101 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 30) Finished k-point number 61 1 with #bands= 19 46) Finished k-point number 93 1 with #bands= 19 10) Finished k-point number 21 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 6) Finished k-point number 13 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 13) Finished k-point number 27 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 5) Finished k-point number 11 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 34) Finished k-point number 69 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 7) Finished k-point number 16 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 30) Finished k-point number 62 2 with #bands= 19 18) Finished k-point number 38 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 2) Finished k-point number 6 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 19 12) Finished k-point number 26 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 42) Finished k-point number 86 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 10) Finished k-point number 22 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 28) Finished k-point number 58 2 with #bands= 19 24) Finished k-point number 50 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 55) Finished k-point number 112 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 50) Finished k-point number 102 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 39) Finished k-point number 80 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 9.16114841615555 Density= 41.0024810871270 41.0000000000000 EF 8.88903458404197 Density= 40.6718588790311 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.67333205 0.65333205 0.248109E-02 -0.328141 1 0.67318196 0.67333205 -0.171975E-02 0.248109E-02 2 0.67324341 0.67333205 -0.120918E-04 0.248109E-02 3 0.67324384 0.67324341 0.906674E-09 -0.120918E-04 4 0.67324384 0.67324384 -0.188644E-08 0.906674E-09 5 0.67324384 0.67324384 -0.188644E-08 0.906674E-09 Absolute convergence of the X interval. Difference in EF= -0.0012001643 EF set to : 9.1599482518 new EF (no-mixing): 9.1599482518 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.000860 tlogG= -0.016585 logG= -0.017445 Density= 0.095717 ETOT(band)= -0.068987 trlgG= -0.086709 logG= -0.017445 TDE= -0.133705 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000869 tlogG= -0.016566 logG= -0.017435 Density= 0.095800 ETOT(band)= -0.068896 trlgG= -0.086702 logG= -0.017435 TDE= -0.133764 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002693 tlogG= -0.048676 logG= -0.051369 Density= 0.288024 ETOT(band)= -0.205290 trlgG= -0.258915 logG= -0.051369 TDE= -0.401456 37) Finished k-point 75 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.000644 tlogG= -0.012427 logG= -0.013071 Density= 0.071774 ETOT(band)= -0.051742 trlgG= -0.065025 logG= -0.013071 TDE= -0.100275 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 25 logGD-logG0= -0.002633 tlogG= -0.049720 logG= -0.052353 Density= 0.287535 ETOT(band)= -0.206511 trlgG= -0.260323 logG= -0.052353 TDE= -0.401551 logGD-logG0= -0.000656 tlogG= -0.012476 logG= -0.013132 Density= 0.071864 ETOT(band)= -0.051681 trlgG= -0.065135 logG= -0.013132 TDE= -0.100385 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001302 tlogG= -0.013003 logG= -0.014305 Density= 0.111631 ETOT(band)= -0.055894 trlgG= -0.071434 logG= -0.014305 TDE= -0.132284 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002664 tlogG= -0.049170 logG= -0.051835 Density= 0.287780 ETOT(band)= -0.205878 trlgG= -0.259639 logG= -0.051835 TDE= -0.401550 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002664 tlogG= -0.049224 logG= -0.051888 Density= 0.287723 ETOT(band)= -0.205866 trlgG= -0.259615 logG= -0.051888 TDE= -0.401435 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002656 tlogG= -0.049372 logG= -0.052028 Density= 0.287684 ETOT(band)= -0.206057 trlgG= -0.259862 logG= -0.052028 TDE= -0.401515 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.001142 tlogG= -0.013665 logG= -0.014807 Density= 0.101615 ETOT(band)= -0.063042 trlgG= -0.079015 logG= -0.014807 TDE= -0.132620 logGD-logG0= -0.005293 tlogG= -0.098892 logG= -0.104185 Density= 0.575302 ETOT(band)= -0.412394 trlgG= -0.519979 logG= -0.104185 TDE= -0.803113 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.003561 tlogG= -0.040282 logG= -0.043843 logGD-logG0= -0.000885 tlogG= -0.016312 logG= -0.017197 Density= 0.095951 ETOT(band)= -0.068550 trlgG= -0.086434 logG= -0.017197 TDE= -0.133835 Density= 0.317050 ETOT(band)= -0.180410 trlgG= -0.227831 logG= -0.043843 TDE= -0.397440 logGD-logG0= -0.002648 tlogG= -0.049568 logG= -0.052217 Density= 0.287605 ETOT(band)= -0.206222 trlgG= -0.260062 logG= -0.052217 TDE= -0.401474 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003420 tlogG= -0.041064 logG= -0.044484 Density= 0.318626 ETOT(band)= -0.179892 trlgG= -0.227891 logG= -0.044484 TDE= -0.397920 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.001298 tlogG= -0.024902 logG= -0.026199 Density= 0.143638 ETOT(band)= -0.103445 trlgG= -0.130084 logG= -0.026199 TDE= -0.200588 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002943 tlogG= -0.046633 logG= -0.049576 Density= 0.295361 ETOT(band)= -0.199189 trlgG= -0.251217 logG= -0.049576 TDE= -0.400492 logGD-logG0= -0.001439 tlogG= -0.023510 logG= -0.024949 Density= 0.146359 ETOT(band)= -0.100622 trlgG= -0.126773 logG= -0.024949 TDE= -0.200360 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003031 tlogG= -0.046156 logG= -0.049187 Density= 0.307510 ETOT(band)= -0.190715 trlgG= -0.242505 logG= -0.049187 TDE= -0.400347 logGD-logG0= -0.002629 tlogG= -0.049550 logG= -0.052179 Density= 0.287553 ETOT(band)= -0.206421 trlgG= -0.260068 logG= -0.052179 TDE= -0.401483 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005296 tlogG= -0.098630 logG= -0.103926 Density= 0.575396 ETOT(band)= -0.412184 trlgG= -0.519652 logG= -0.103926 TDE= -0.803108 logGD-logG0= -0.002775 tlogG= -0.046323 logG= -0.049098 Density= 0.289042 ETOT(band)= -0.202538 trlgG= -0.255160 logG= -0.049098 TDE= -0.400658 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000964 tlogG= -0.014756 logG= -0.015719 logGD-logG0= -0.005963 tlogG= -0.091254 logG= -0.097217 Density= 0.592414 ETOT(band)= -0.395507 trlgG= -0.498538 logG= -0.097217 TDE= -0.800161 logGD-logG0= -0.002817 tlogG= -0.047297 logG= -0.050114 Density= 0.292101 ETOT(band)= -0.201773 trlgG= -0.254291 logG= -0.050114 TDE= -0.400833 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.097946 ETOT(band)= -0.065977 trlgG= -0.083004 logG= -0.015719 TDE= -0.133225 logGD-logG0= -0.002680 tlogG= -0.048480 logG= -0.051159 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.288053 ETOT(band)= -0.205098 trlgG= -0.258660 logG= -0.051159 TDE= -0.401431 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002781 tlogG= -0.046457 logG= -0.049238 Density= 0.289588 ETOT(band)= -0.202360 trlgG= -0.254952 logG= -0.049238 TDE= -0.400677 logGD-logG0= -0.002913 tlogG= -0.046062 logG= -0.048975 Density= 0.293078 ETOT(band)= -0.200176 trlgG= -0.252006 logG= -0.048975 TDE= -0.400344 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002587 tlogG= -0.049801 logG= -0.052387 Density= 0.287196 ETOT(band)= -0.206959 trlgG= -0.260168 logG= -0.052387 TDE= -0.401134 20) Finished k-point 41 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002733 tlogG= -0.047930 logG= -0.050663 Density= 0.288760 ETOT(band)= -0.204189 trlgG= -0.257464 logG= -0.050663 TDE= -0.401207 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002707 tlogG= -0.047873 logG= -0.050580 Density= 0.288310 ETOT(band)= -0.204385 trlgG= -0.257741 logG= -0.050580 TDE= -0.401263 logGD-logG0= -0.002740 tlogG= -0.047242 logG= -0.049982 Density= 0.288417 ETOT(band)= -0.203721 trlgG= -0.256676 logG= -0.049982 TDE= -0.400870 logGD-logG0= -0.002775 tlogG= -0.047627 logG= -0.050403 Density= 0.290958 ETOT(band)= -0.202687 trlgG= -0.255544 logG= -0.050403 TDE= -0.401027 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002610 tlogG= -0.049778 logG= -0.052387 Density= 0.287383 ETOT(band)= -0.206763 trlgG= -0.260242 logG= -0.052387 TDE= -0.401334 logGD-logG0= -0.002599 tlogG= -0.049864 logG= -0.052463 logGD-logG0= -0.005468 tlogG= -0.095630 logG= -0.101099 Density= 0.577140 ETOT(band)= -0.408323 trlgG= -0.514665 logG= -0.101099 TDE= -0.802122 Density= 0.287295 ETOT(band)= -0.206912 trlgG= -0.260308 logG= -0.052463 TDE= -0.401264 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003113 tlogG= -0.044159 logG= -0.047272 Density= 0.308231 ETOT(band)= -0.188508 trlgG= -0.239219 logG= -0.047272 TDE= -0.399462 logGD-logG0= -0.002622 tlogG= -0.049558 logG= -0.052180 logGD-logG0= -0.002641 tlogG= -0.049366 logG= -0.052007 Density= 0.287526 ETOT(band)= -0.206453 trlgG= -0.260038 logG= -0.052180 TDE= -0.401433 Density= 0.287661 ETOT(band)= -0.206160 trlgG= -0.259871 logG= -0.052007 TDE= -0.401530 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005697 tlogG= -0.092757 logG= -0.098454 Density= 0.585037 ETOT(band)= -0.401414 trlgG= -0.505538 logG= -0.098454 TDE= -0.800957 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005895 tlogG= -0.088106 logG= -0.094002 logGD-logG0= -0.005533 tlogG= -0.093333 logG= -0.098867 Density= 0.577833 ETOT(band)= -0.405852 trlgG= -0.511281 logG= -0.098867 TDE= -0.801437 Density= 0.588582 ETOT(band)= -0.395136 trlgG= -0.496651 logG= -0.094002 TDE= -0.798909 logGD-logG0= -0.005391 tlogG= -0.097030 logG= -0.102421 Density= 0.575967 ETOT(band)= -0.410212 trlgG= -0.517222 logG= -0.102421 TDE= -0.802567 logGD-logG0= -0.006212 tlogG= -0.086105 logG= -0.092317 Density= 0.602264 ETOT(band)= -0.384707 trlgG= -0.484644 logG= -0.092317 TDE= -0.797798 logGD-logG0= -0.002684 tlogG= -0.048654 logG= -0.051338 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 Density= 0.287902 ETOT(band)= -0.205266 trlgG= -0.258822 logG= -0.051338 TDE= -0.401312 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005426 tlogG= -0.095993 logG= -0.101419 Density= 0.576548 ETOT(band)= -0.409038 trlgG= -0.515788 logG= -0.101419 TDE= -0.802527 logGD-logG0= -0.002673 tlogG= -0.048931 logG= -0.051604 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.287884 ETOT(band)= -0.205619 trlgG= -0.259318 logG= -0.051604 TDE= -0.401530 logGD-logG0= -0.002627 tlogG= -0.049705 logG= -0.052332 Density= 0.287500 ETOT(band)= -0.206577 trlgG= -0.260275 logG= -0.052332 TDE= -0.401500 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002615 tlogG= -0.049878 logG= -0.052493 Density= 0.287400 ETOT(band)= -0.206802 trlgG= -0.260449 logG= -0.052493 TDE= -0.401445 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005567 tlogG= -0.092617 logG= -0.098184 Density= 0.578413 ETOT(band)= -0.404867 trlgG= -0.509768 logG= -0.098184 TDE= -0.800997 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005441 tlogG= -0.096177 logG= -0.101618 Density= 0.576666 ETOT(band)= -0.409115 trlgG= -0.515826 logG= -0.101618 TDE= -0.802445 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002675 tlogG= -0.048845 logG= -0.051521 Density= 0.287864 ETOT(band)= -0.205487 trlgG= -0.259140 logG= -0.051521 TDE= -0.401422 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005609 tlogG= -0.093507 logG= -0.099116 Density= 0.583028 ETOT(band)= -0.403158 trlgG= -0.508007 logG= -0.099116 TDE= -0.801410 logGD-logG0= -0.005371 tlogG= -0.097445 logG= -0.102816 Density= 0.575866 ETOT(band)= -0.410689 trlgG= -0.517918 logG= -0.102816 TDE= -0.802800 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005793 tlogG= -0.089119 logG= -0.094912 Density= 0.586713 ETOT(band)= -0.397046 trlgG= -0.499453 logG= -0.094912 TDE= -0.799542 22) Finished k-point 45 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002727 tlogG= -0.047536 logG= -0.050263 Density= 0.288363 ETOT(band)= -0.204027 trlgG= -0.257175 logG= -0.050263 TDE= -0.401051 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002642 tlogG= -0.049684 logG= -0.052326 Density= 0.287567 ETOT(band)= -0.206392 trlgG= -0.260255 logG= -0.052326 TDE= -0.401532 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003020 tlogG= -0.043625 logG= -0.046645 Density= 0.294980 ETOT(band)= -0.196847 trlgG= -0.247306 logG= -0.046645 TDE= -0.399255 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005364 tlogG= -0.097226 logG= -0.102590 Density= 0.575976 ETOT(band)= -0.410487 trlgG= -0.517691 logG= -0.102590 TDE= -0.802873 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000107 tlogG= -0.002070 logG= -0.002177 Density= 0.083735 ETOT(band)= -0.060366 trlgG= -0.075861 logG= -0.002177 TDE= -0.016712 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.001289 tlogG= -0.024869 logG= -0.026158 Density= 0.239279 ETOT(band)= -0.172474 trlgG= -0.216773 logG= -0.026158 TDE= -0.200558 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002629 tlogG= -0.049814 logG= -0.052443 Density= 0.575029 ETOT(band)= -0.413129 trlgG= -0.520755 logG= -0.052443 TDE= -0.401543 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002598 tlogG= -0.049774 logG= -0.052373 Density= 0.383108 ETOT(band)= -0.275731 trlgG= -0.346824 logG= -0.052373 TDE= -0.401178 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002653 tlogG= -0.049443 logG= -0.052096 Density= 0.575368 ETOT(band)= -0.411959 trlgG= -0.519519 logG= -0.052096 TDE= -0.401463 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000913 tlogG= -0.015703 logG= -0.016615 Density= 0.168075 ETOT(band)= -0.119511 trlgG= -0.150643 logG= -0.016615 TDE= -0.133665 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002643 tlogG= -0.049563 logG= -0.052205 Density= 0.862908 ETOT(band)= -0.618724 trlgG= -0.780121 logG= -0.052205 TDE= -0.401566 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003720 tlogG= -0.039656 logG= -0.043376 Density= 0.431697 ETOT(band)= -0.233921 trlgG= -0.296469 logG= -0.043376 TDE= -0.397141 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000661 tlogG= -0.012422 logG= -0.013083 Density= 0.359497 ETOT(band)= -0.257809 trlgG= -0.325116 logG= -0.013083 TDE= -0.100372 logGD-logG0= -0.002644 tlogG= -0.049435 logG= -0.052079 Density= 0.863045 ETOT(band)= -0.618418 trlgG= -0.779638 logG= -0.052079 TDE= -0.401566 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003190 tlogG= -0.042220 logG= -0.045410 Density= 0.404723 ETOT(band)= -0.254064 trlgG= -0.318900 logG= -0.045410 TDE= -0.398541 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002705 tlogG= -0.047990 logG= -0.050695 Density= 0.576258 ETOT(band)= -0.409820 trlgG= -0.516831 logG= -0.050695 TDE= -0.401273 logGD-logG0= -0.002590 tlogG= -0.049798 logG= -0.052388 Density= 0.430865 ETOT(band)= -0.310375 trlgG= -0.390223 logG= -0.052388 TDE= -0.401125 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000653 tlogG= -0.012484 logG= -0.013136 Density= 0.359240 ETOT(band)= -0.258521 trlgG= -0.325577 logG= -0.013136 TDE= -0.100358 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001364 tlogG= -0.024066 logG= -0.025430 Density= 0.433092 ETOT(band)= -0.306403 trlgG= -0.386360 logG= -0.025430 TDE= -0.200636 logGD-logG0= -0.000646 tlogG= -0.012449 logG= -0.013095 Density= 0.358988 ETOT(band)= -0.258704 trlgG= -0.325215 logG= -0.013095 TDE= -0.100286 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003011 tlogG= -0.043308 logG= -0.046319 Density= 0.445452 ETOT(band)= -0.294780 trlgG= -0.370878 logG= -0.046319 TDE= -0.399148 57) Finished k-point 116 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002639 tlogG= -0.049307 logG= -0.051947 Density= 0.383628 ETOT(band)= -0.274663 trlgG= -0.346213 logG= -0.051947 TDE= -0.401509 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.001334 tlogG= -0.024539 logG= -0.025873 Density= 0.431797 ETOT(band)= -0.308515 trlgG= -0.389080 logG= -0.025873 TDE= -0.200777 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001313 tlogG= -0.024818 logG= -0.026131 Density= 0.431307 ETOT(band)= -0.309688 trlgG= -0.390153 logG= -0.026131 TDE= -0.200736 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000649 tlogG= -0.012473 logG= -0.013122 Density= 0.359110 ETOT(band)= -0.258653 trlgG= -0.325392 logG= -0.013122 TDE= -0.100312 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001510 tlogG= -0.023212 logG= -0.024723 logGD-logG0= -0.002690 tlogG= -0.048689 logG= -0.051378 Density= 0.461225 ETOT(band)= -0.286215 trlgG= -0.363969 logG= -0.024723 TDE= -0.200229 Density= 0.863896 ETOT(band)= -0.615503 trlgG= -0.776080 logG= -0.051378 TDE= -0.401326 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002660 tlogG= -0.049115 logG= -0.051775 Density= 0.575559 ETOT(band)= -0.411698 trlgG= -0.519191 logG= -0.051775 TDE= -0.401522 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003187 tlogG= -0.042656 logG= -0.045843 Density= 0.628511 ETOT(band)= -0.366074 trlgG= -0.463844 logG= -0.045843 TDE= -0.398738 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003095 tlogG= -0.042720 logG= -0.045815 Density= 0.596369 ETOT(band)= -0.391767 trlgG= -0.493164 logG= -0.045815 TDE= -0.398784 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002603 tlogG= -0.049829 logG= -0.052431 Density= 0.574712 ETOT(band)= -0.413616 trlgG= -0.520511 logG= -0.052431 TDE= -0.401280 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.006615 tlogG= -0.083119 logG= -0.089734 Density= 0.931895 ETOT(band)= -0.555707 trlgG= -0.699895 logG= -0.089734 TDE= -0.796271 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002824 tlogG= -0.045381 logG= -0.048205 Density= 0.388426 ETOT(band)= -0.266836 trlgG= -0.335865 logG= -0.048205 TDE= -0.400221 logGD-logG0= -0.002832 tlogG= -0.045203 logG= -0.048034 Density= 0.582479 ETOT(band)= -0.402531 trlgG= -0.506852 logG= -0.048034 TDE= -0.400021 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005905 tlogG= -0.092746 logG= -0.098651 Density= 1.183504 ETOT(band)= -0.793190 trlgG= -1.000015 logG= -0.098651 TDE= -0.800774 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005226 tlogG= -0.099446 logG= -0.104672 Density= 0.862369 ETOT(band)= -0.619822 trlgG= -0.780424 logG= -0.104672 TDE= -0.802724 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002619 tlogG= -0.049810 logG= -0.052429 Density= 0.574936 ETOT(band)= -0.413292 trlgG= -0.520646 logG= -0.052429 TDE= -0.401457 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002681 tlogG= -0.048888 logG= -0.051569 Density= 0.863746 ETOT(band)= -0.616214 trlgG= -0.777114 logG= -0.051569 TDE= -0.401441 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002751 tlogG= -0.047346 logG= -0.050096 Density= 0.578644 ETOT(band)= -0.405842 trlgG= -0.511452 logG= -0.050096 TDE= -0.401009 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005423 tlogG= -0.096018 logG= -0.101440 logGD-logG0= -0.005320 tlogG= -0.097965 logG= -0.103286 Density= 0.863735 ETOT(band)= -0.616486 trlgG= -0.777413 logG= -0.103286 TDE= -0.803041 Density= 0.864703 ETOT(band)= -0.612847 trlgG= -0.772396 logG= -0.101440 TDE= -0.802260 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005649 tlogG= -0.094123 logG= -0.099772 Density= 1.169447 ETOT(band)= -0.804418 trlgG= -1.013353 logG= -0.099772 TDE= -0.801493 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002685 tlogG= -0.048511 logG= -0.051196 Density= 0.576361 ETOT(band)= -0.409514 trlgG= -0.516447 logG= -0.051196 TDE= -0.401439 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002728 tlogG= -0.048019 logG= -0.050748 Density= 0.865636 ETOT(band)= -0.612710 trlgG= -0.772310 logG= -0.050748 TDE= -0.401126 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005337 tlogG= -0.098154 logG= -0.103492 Density= 0.863438 ETOT(band)= -0.616689 trlgG= -0.777648 logG= -0.103492 TDE= -0.802811 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005477 tlogG= -0.094474 logG= -0.099951 Density= 0.866211 ETOT(band)= -0.609818 trlgG= -0.768561 logG= -0.099951 TDE= -0.802026 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005777 tlogG= -0.090663 logG= -0.096440 Density= 1.174677 ETOT(band)= -0.794042 trlgG= -0.998585 logG= -0.096440 TDE= -0.800078 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005475 tlogG= -0.095046 logG= -0.100521 Density= 1.154920 ETOT(band)= -0.813695 trlgG= -1.025348 logG= -0.100521 TDE= -0.802066 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003062 tlogG= -0.045372 logG= -0.048434 Density= 0.615994 ETOT(band)= -0.378379 trlgG= -0.480462 logG= -0.048434 TDE= -0.400008 logGD-logG0= -0.005261 tlogG= -0.099235 logG= -0.104496 Density= 0.862746 ETOT(band)= -0.619098 trlgG= -0.780220 logG= -0.104496 TDE= -0.803025 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002646 tlogG= -0.049568 logG= -0.052214 Density= 0.575292 ETOT(band)= -0.412325 trlgG= -0.519971 logG= -0.052214 TDE= -0.401526 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.006059 tlogG= -0.088943 logG= -0.095002 Density= 1.197451 ETOT(band)= -0.776362 trlgG= -0.978079 logG= -0.095002 TDE= -0.799139 logGD-logG0= -0.005397 tlogG= -0.097000 logG= -0.102397 Density= 1.152722 ETOT(band)= -0.819222 trlgG= -1.033100 logG= -0.102397 TDE= -0.802820 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005505 tlogG= -0.094438 logG= -0.099943 Density= 1.156003 ETOT(band)= -0.811856 trlgG= -1.022556 logG= -0.099943 TDE= -0.801704 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002956 tlogG= -0.044964 logG= -0.047921 Density= 0.588543 ETOT(band)= -0.395745 trlgG= -0.497460 logG= -0.047921 TDE= -0.399872 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002715 tlogG= -0.048283 logG= -0.050998 Density= 0.864930 ETOT(band)= -0.613889 trlgG= -0.774033 logG= -0.050998 TDE= -0.401281 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.005338 tlogG= -0.098051 logG= -0.103390 Density= 1.151640 ETOT(band)= -0.821913 trlgG= -1.036562 logG= -0.103390 TDE= -0.803044 38) Finished k-point 78 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002887 tlogG= -0.046775 logG= -0.049661 logGD-logG0= -0.000659 tlogG= -0.012448 logG= -0.013107 Density= 0.359449 ETOT(band)= -0.258019 trlgG= -0.325351 logG= -0.013107 TDE= -0.100383 Density= 0.585885 ETOT(band)= -0.401151 trlgG= -0.505166 logG= -0.049661 TDE= -0.400629 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002809 tlogG= -0.045633 logG= -0.048442 Density= 0.580687 ETOT(band)= -0.404202 trlgG= -0.509214 logG= -0.048442 TDE= -0.400287 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005685 tlogG= -0.091532 logG= -0.097217 Density= 1.171093 ETOT(band)= -0.797634 trlgG= -1.003861 logG= -0.097217 TDE= -0.800621 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005565 tlogG= -0.094803 logG= -0.100368 Density= 1.165224 ETOT(band)= -0.807963 trlgG= -1.018308 logG= -0.100368 TDE= -0.801894 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005322 tlogG= -0.098470 logG= -0.103792 Density= 0.863322 ETOT(band)= -0.617304 trlgG= -0.778492 logG= -0.103792 TDE= -0.802984 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005402 tlogG= -0.096504 logG= -0.101906 Density= 0.864552 ETOT(band)= -0.613683 trlgG= -0.773718 logG= -0.101906 TDE= -0.802553 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Sum of eigenvalues= -386.721370174386 eV TrLogG= -487.203306499628 eV Ratio to renormalize= 1.000558032825 rho-rho_expected=-0.022866585522 nargs= 1 argi=dmft2.def 14) Finished k-point number 29 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 51) Finished k-point number 103 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 37) Finished k-point number 75 1 with #bands= 19 33) Finished k-point number 67 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 20) Finished k-point number 41 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 51) Finished k-point number 104 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 37) Finished k-point number 76 2 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 9) Finished k-point number 19 1 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 32) Finished k-point number 65 1 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 32) Finished k-point number 66 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 29) Finished k-point number 60 2 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 52) Finished k-point number 106 2 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 19 18) Finished k-point number 38 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 36) Finished k-point number 74 2 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 22) Finished k-point number 46 2 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 6) Finished k-point number 13 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 41) Finished k-point number 84 2 with #bands= 19 16) Finished k-point number 33 1 with #bands= 19 31) Finished k-point number 64 2 with #bands= 19 34) Finished k-point number 70 2 with #bands= 19 24) Finished k-point number 50 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 19 30) Finished k-point number 62 2 with #bands= 19 19) Finished k-point number 39 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.864704908053295 0.871861034607179 0.850049570926498 0) Finished k-point number 1 1 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 32) Finished k-point number 65 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 41) Finished k-point number 83 1 with #bands= 19 39) Finished k-point number 79 1 with #bands= 19 1) Finished k-point number 3 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 19 50) Finished k-point number 101 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 17) Finished k-point number 35 1 with #bands= 19 16) Finished k-point number 33 1 with #bands= 19 3) Finished k-point number 7 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 9) Finished k-point number 19 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 11) Finished k-point number 23 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 1) Finished k-point number 4 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 41) Finished k-point number 84 2 with #bands= 19 40) Finished k-point number 82 2 with #bands= 19 57) Finished k-point number 116 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 3) Finished k-point number 8 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 54) Finished k-point number 110 2 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 19 31) Finished k-point number 64 2 with #bands= 19 44) Finished k-point number 90 2 with #bands= 19 30) Finished k-point number 62 2 with #bands= 19 39) Finished k-point number 80 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 5) Finished k-point number 12 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 35) Finished k-point number 72 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 9.15994825184049 Density= 41.0004787563047 41.0000000000000 EF 8.88783441972691 Density= 40.6711006503150 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.67324384 0.65324384 0.478756E-03 -0.328899 1 0.67321477 0.67324384 -0.333754E-03 0.478756E-03 2 0.67322671 0.67324384 -0.454278E-06 0.478756E-03 3 0.67322673 0.67322671 0.125056E-11 -0.454278E-06 Absolute convergence of |F(X)|. Difference in EF= -0.0002328326 EF set to : 9.1597154192 new EF (no-mixing): 9.1597154192 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.000869 tlogG= -0.016565 logG= -0.017435 Density= 0.095800 ETOT(band)= -0.068897 trlgG= -0.086702 logG= -0.017435 TDE= -0.133763 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000860 tlogG= -0.016585 logG= -0.017445 Density= 0.095717 ETOT(band)= -0.068988 trlgG= -0.086710 logG= -0.017445 TDE= -0.133704 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000656 tlogG= -0.012476 logG= -0.013132 Density= 0.071864 ETOT(band)= -0.051681 trlgG= -0.065136 logG= -0.013132 TDE= -0.100385 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001302 tlogG= -0.013003 logG= -0.014305 Density= 0.111631 ETOT(band)= -0.055895 trlgG= -0.071435 logG= -0.014305 TDE= -0.132283 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002693 tlogG= -0.048675 logG= -0.051368 Density= 0.288024 ETOT(band)= -0.205292 trlgG= -0.258916 logG= -0.051368 TDE= -0.401453 37) Finished k-point 75 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.000885 tlogG= -0.016312 logG= -0.017197 Density= 0.095951 ETOT(band)= -0.068551 trlgG= -0.086434 logG= -0.017197 TDE= -0.133834 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000644 tlogG= -0.012427 logG= -0.013070 Density= 0.071774 ETOT(band)= -0.051743 trlgG= -0.065025 logG= -0.013070 TDE= -0.100275 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 25 logGD-logG0= -0.002633 tlogG= -0.049719 logG= -0.052352 Density= 0.287535 ETOT(band)= -0.206513 trlgG= -0.260324 logG= -0.052352 TDE= -0.401548 logGD-logG0= -0.002664 tlogG= -0.049170 logG= -0.051834 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 Density= 0.287780 ETOT(band)= -0.205880 trlgG= -0.259640 logG= -0.051834 TDE= -0.401547 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.001142 tlogG= -0.013664 logG= -0.014806 Density= 0.101615 ETOT(band)= -0.063043 trlgG= -0.079016 logG= -0.014806 TDE= -0.132619 logGD-logG0= -0.002664 tlogG= -0.049224 logG= -0.051887 Density= 0.287723 ETOT(band)= -0.205867 trlgG= -0.259616 logG= -0.051887 TDE= -0.401432 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.005296 tlogG= -0.098628 logG= -0.103924 Density= 0.575396 ETOT(band)= -0.412187 trlgG= -0.519654 logG= -0.103924 TDE= -0.803102 logGD-logG0= -0.005293 tlogG= -0.098890 logG= -0.104183 Density= 0.575301 ETOT(band)= -0.412398 trlgG= -0.519981 logG= -0.104183 TDE= -0.803106 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.000964 tlogG= -0.014755 logG= -0.015719 Density= 0.097945 ETOT(band)= -0.065978 trlgG= -0.083004 logG= -0.015719 TDE= -0.133224 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.001298 tlogG= -0.024901 logG= -0.026199 Density= 0.143638 ETOT(band)= -0.103446 trlgG= -0.130085 logG= -0.026199 TDE= -0.200587 logGD-logG0= -0.003561 tlogG= -0.040282 logG= -0.043842 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.317051 ETOT(band)= -0.180411 trlgG= -0.227832 logG= -0.043842 TDE= -0.397437 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.003420 tlogG= -0.041063 logG= -0.044483 Density= 0.318625 ETOT(band)= -0.179895 trlgG= -0.227893 logG= -0.044483 TDE= -0.397917 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002629 tlogG= -0.049549 logG= -0.052178 Density= 0.287553 ETOT(band)= -0.206423 trlgG= -0.260069 logG= -0.052178 TDE= -0.401480 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002943 tlogG= -0.046632 logG= -0.049575 Density= 0.295363 ETOT(band)= -0.199190 trlgG= -0.251217 logG= -0.049575 TDE= -0.400489 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003031 tlogG= -0.046155 logG= -0.049186 Density= 0.307510 ETOT(band)= -0.190718 trlgG= -0.242506 logG= -0.049186 TDE= -0.400344 logGD-logG0= -0.003113 tlogG= -0.044158 logG= -0.047271 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Density= 0.308231 ETOT(band)= -0.188511 trlgG= -0.239221 logG= -0.047271 TDE= -0.399458 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002587 tlogG= -0.049800 logG= -0.052387 Density= 0.287196 ETOT(band)= -0.206961 trlgG= -0.260169 logG= -0.052387 TDE= -0.401131 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002913 tlogG= -0.046061 logG= -0.048974 Density= 0.293078 ETOT(band)= -0.200178 trlgG= -0.252008 logG= -0.048974 TDE= -0.400341 20) Finished k-point 41 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005963 tlogG= -0.091252 logG= -0.097215 Density= 0.592419 ETOT(band)= -0.395508 trlgG= -0.498537 logG= -0.097215 TDE= -0.800155 logGD-logG0= -0.005697 tlogG= -0.092755 logG= -0.098452 Density= 0.585036 ETOT(band)= -0.401418 trlgG= -0.505541 logG= -0.098452 TDE= -0.800950 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002656 tlogG= -0.049371 logG= -0.052027 Density= 0.287684 ETOT(band)= -0.206059 trlgG= -0.259863 logG= -0.052027 TDE= -0.401512 logGD-logG0= -0.002775 tlogG= -0.046323 logG= -0.049097 Density= 0.289042 ETOT(band)= -0.202540 trlgG= -0.255161 logG= -0.049097 TDE= -0.400654 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002740 tlogG= -0.047241 logG= -0.049981 Density= 0.288417 ETOT(band)= -0.203723 trlgG= -0.256677 logG= -0.049981 TDE= -0.400867 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002680 tlogG= -0.048479 logG= -0.051159 Density= 0.288053 ETOT(band)= -0.205100 trlgG= -0.258661 logG= -0.051159 TDE= -0.401428 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002599 tlogG= -0.049863 logG= -0.052462 Density= 0.287295 ETOT(band)= -0.206914 trlgG= -0.260309 logG= -0.052462 TDE= -0.401261 logGD-logG0= -0.002733 tlogG= -0.047929 logG= -0.050663 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.288759 ETOT(band)= -0.204191 trlgG= -0.257466 logG= -0.050663 TDE= -0.401204 logGD-logG0= -0.005468 tlogG= -0.095629 logG= -0.101097 Density= 0.577139 ETOT(band)= -0.408327 trlgG= -0.514667 logG= -0.101097 TDE= -0.802116 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002817 tlogG= -0.047296 logG= -0.050113 Density= 0.292101 ETOT(band)= -0.201775 trlgG= -0.254293 logG= -0.050113 TDE= -0.400830 logGD-logG0= -0.002622 tlogG= -0.049557 logG= -0.052180 Density= 0.287526 ETOT(band)= -0.206455 trlgG= -0.260039 logG= -0.052180 TDE= -0.401430 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005567 tlogG= -0.092615 logG= -0.098182 Density= 0.578412 ETOT(band)= -0.404871 trlgG= -0.509771 logG= -0.098182 TDE= -0.800991 logGD-logG0= -0.002610 tlogG= -0.049777 logG= -0.052386 Density= 0.287383 ETOT(band)= -0.206764 trlgG= -0.260243 logG= -0.052386 TDE= -0.401331 logGD-logG0= -0.002615 tlogG= -0.049878 logG= -0.052493 Density= 0.287399 ETOT(band)= -0.206804 trlgG= -0.260450 logG= -0.052493 TDE= -0.401442 logGD-logG0= -0.005391 tlogG= -0.097029 logG= -0.102419 Density= 0.575967 ETOT(band)= -0.410216 trlgG= -0.517224 logG= -0.102419 TDE= -0.802561 logGD-logG0= -0.002727 tlogG= -0.047535 logG= -0.050262 Density= 0.288363 ETOT(band)= -0.204029 trlgG= -0.257176 logG= -0.050262 TDE= -0.401048 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002781 tlogG= -0.046456 logG= -0.049237 Density= 0.289587 ETOT(band)= -0.202362 trlgG= -0.254953 logG= -0.049237 TDE= -0.400674 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002684 tlogG= -0.048654 logG= -0.051338 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.287902 ETOT(band)= -0.205268 trlgG= -0.258823 logG= -0.051338 TDE= -0.401309 logGD-logG0= -0.002627 tlogG= -0.049704 logG= -0.052331 logGD-logG0= -0.006212 tlogG= -0.086103 logG= -0.092315 Density= 0.602267 ETOT(band)= -0.384709 trlgG= -0.484645 logG= -0.092315 TDE= -0.797792 Density= 0.287500 ETOT(band)= -0.206579 trlgG= -0.260276 logG= -0.052331 TDE= -0.401497 logGD-logG0= -0.005895 tlogG= -0.088105 logG= -0.094000 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002707 tlogG= -0.047872 logG= -0.050580 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 Density= 0.288310 ETOT(band)= -0.204387 trlgG= -0.257742 logG= -0.050580 TDE= -0.401260 Density= 0.588581 ETOT(band)= -0.395140 trlgG= -0.496655 logG= -0.094000 TDE= -0.798903 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002641 tlogG= -0.049365 logG= -0.052006 Density= 0.287661 ETOT(band)= -0.206162 trlgG= -0.259873 logG= -0.052006 TDE= -0.401527 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005364 tlogG= -0.097224 logG= -0.102588 Density= 0.575976 ETOT(band)= -0.410491 trlgG= -0.517693 logG= -0.102588 TDE= -0.802867 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005609 tlogG= -0.093505 logG= -0.099114 Density= 0.583026 ETOT(band)= -0.403162 trlgG= -0.508010 logG= -0.099114 TDE= -0.801404 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002673 tlogG= -0.048931 logG= -0.051603 Density= 0.287884 ETOT(band)= -0.205621 trlgG= -0.259319 logG= -0.051603 TDE= -0.401527 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003020 tlogG= -0.043624 logG= -0.046644 Density= 0.294980 ETOT(band)= -0.196850 trlgG= -0.247308 logG= -0.046644 TDE= -0.399252 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002775 tlogG= -0.047626 logG= -0.050402 Density= 0.290957 ETOT(band)= -0.202689 trlgG= -0.255546 logG= -0.050402 TDE= -0.401024 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005793 tlogG= -0.089118 logG= -0.094911 Density= 0.586711 ETOT(band)= -0.397051 trlgG= -0.499457 logG= -0.094911 TDE= -0.799536 22) Finished k-point 45 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.001439 tlogG= -0.023509 logG= -0.024948 Density= 0.146359 ETOT(band)= -0.100623 trlgG= -0.126774 logG= -0.024948 TDE= -0.200358 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005533 tlogG= -0.093332 logG= -0.098865 Density= 0.577832 ETOT(band)= -0.405856 trlgG= -0.511284 logG= -0.098865 TDE= -0.801431 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005441 tlogG= -0.096175 logG= -0.101616 Density= 0.576666 ETOT(band)= -0.409119 trlgG= -0.515828 logG= -0.101616 TDE= -0.802439 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005426 tlogG= -0.095991 logG= -0.101417 Density= 0.576548 ETOT(band)= -0.409042 trlgG= -0.515790 logG= -0.101417 TDE= -0.802521 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002642 tlogG= -0.049683 logG= -0.052325 Density= 0.287567 ETOT(band)= -0.206394 trlgG= -0.260256 logG= -0.052325 TDE= -0.401529 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002648 tlogG= -0.049567 logG= -0.052216 Density= 0.287605 ETOT(band)= -0.206224 trlgG= -0.260063 logG= -0.052216 TDE= -0.401471 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.005371 tlogG= -0.097443 logG= -0.102815 Density= 0.575866 ETOT(band)= -0.410693 trlgG= -0.517920 logG= -0.102815 TDE= -0.802793 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002675 tlogG= -0.048845 logG= -0.051520 Density= 0.287864 ETOT(band)= -0.205488 trlgG= -0.259141 logG= -0.051520 TDE= -0.401419 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000107 tlogG= -0.002070 logG= -0.002177 Density= 0.083735 ETOT(band)= -0.060367 trlgG= -0.075861 logG= -0.002177 TDE= -0.016712 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.002598 tlogG= -0.049774 logG= -0.052372 Density= 0.383108 ETOT(band)= -0.275734 trlgG= -0.346825 logG= -0.052372 TDE= -0.401175 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000913 tlogG= -0.015703 logG= -0.016615 Density= 0.168075 ETOT(band)= -0.119512 trlgG= -0.150644 logG= -0.016615 TDE= -0.133664 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002644 tlogG= -0.049434 logG= -0.052078 Density= 0.863045 ETOT(band)= -0.618424 trlgG= -0.779642 logG= -0.052078 TDE= -0.401563 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002653 tlogG= -0.049442 logG= -0.052095 Density= 0.575368 ETOT(band)= -0.411963 trlgG= -0.519521 logG= -0.052095 TDE= -0.401460 logGD-logG0= -0.001289 tlogG= -0.024868 logG= -0.026158 Density= 0.239279 ETOT(band)= -0.172475 trlgG= -0.216774 logG= -0.026158 TDE= -0.200556 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001364 tlogG= -0.024066 logG= -0.025430 Density= 0.433091 ETOT(band)= -0.306406 trlgG= -0.386361 logG= -0.025430 TDE= -0.200634 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002643 tlogG= -0.049562 logG= -0.052204 Density= 0.862908 ETOT(band)= -0.618730 trlgG= -0.780124 logG= -0.052204 TDE= -0.401563 logGD-logG0= -0.002639 tlogG= -0.049307 logG= -0.051946 Density= 0.383628 ETOT(band)= -0.274665 trlgG= -0.346214 logG= -0.051946 TDE= -0.401506 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002590 tlogG= -0.049797 logG= -0.052387 Density= 0.430865 ETOT(band)= -0.310378 trlgG= -0.390225 logG= -0.052387 TDE= -0.401122 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002629 tlogG= -0.049813 logG= -0.052442 Density= 0.575029 ETOT(band)= -0.413133 trlgG= -0.520757 logG= -0.052442 TDE= -0.401540 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003720 tlogG= -0.039656 logG= -0.043375 Density= 0.431696 ETOT(band)= -0.233924 trlgG= -0.296472 logG= -0.043375 TDE= -0.397138 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.000653 tlogG= -0.012483 logG= -0.013136 Density= 0.359240 ETOT(band)= -0.258524 trlgG= -0.325578 logG= -0.013136 TDE= -0.100358 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003190 tlogG= -0.042220 logG= -0.045410 Density= 0.404722 ETOT(band)= -0.254067 trlgG= -0.318903 logG= -0.045410 TDE= -0.398538 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.001313 tlogG= -0.024818 logG= -0.026131 Density= 0.431307 ETOT(band)= -0.309690 trlgG= -0.390155 logG= -0.026131 TDE= -0.200734 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002705 tlogG= -0.047989 logG= -0.050694 Density= 0.576258 ETOT(band)= -0.409824 trlgG= -0.516833 logG= -0.050694 TDE= -0.401270 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001334 tlogG= -0.024539 logG= -0.025873 Density= 0.431797 ETOT(band)= -0.308517 trlgG= -0.389082 logG= -0.025873 TDE= -0.200776 logGD-logG0= -0.000646 tlogG= -0.012449 logG= -0.013095 Density= 0.358988 ETOT(band)= -0.258707 trlgG= -0.325217 logG= -0.013095 TDE= -0.100285 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 57) Finished k-point 116 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003187 tlogG= -0.042655 logG= -0.045842 Density= 0.628510 ETOT(band)= -0.366079 trlgG= -0.463848 logG= -0.045842 TDE= -0.398735 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002690 tlogG= -0.048688 logG= -0.051378 Density= 0.863896 ETOT(band)= -0.615508 trlgG= -0.776083 logG= -0.051378 TDE= -0.401323 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.000649 tlogG= -0.012472 logG= -0.013122 Density= 0.359110 ETOT(band)= -0.258655 trlgG= -0.325393 logG= -0.013122 TDE= -0.100311 logGD-logG0= -0.002824 tlogG= -0.045380 logG= -0.048204 Density= 0.388425 ETOT(band)= -0.266839 trlgG= -0.335868 logG= -0.048204 TDE= -0.400218 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003095 tlogG= -0.042719 logG= -0.045814 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.596369 ETOT(band)= -0.391771 trlgG= -0.493166 logG= -0.045814 TDE= -0.398781 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.006614 tlogG= -0.083118 logG= -0.089733 Density= 0.931898 ETOT(band)= -0.555711 trlgG= -0.699897 logG= -0.089733 TDE= -0.796264 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.001510 tlogG= -0.023212 logG= -0.024722 Density= 0.461225 ETOT(band)= -0.286219 trlgG= -0.363971 logG= -0.024722 TDE= -0.200228 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005905 tlogG= -0.092745 logG= -0.098649 Density= 1.183513 ETOT(band)= -0.793192 trlgG= -1.000014 logG= -0.098649 TDE= -0.800768 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002887 tlogG= -0.046774 logG= -0.049661 Density= 0.585885 ETOT(band)= -0.401155 trlgG= -0.505168 logG= -0.049661 TDE= -0.400626 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003062 tlogG= -0.045372 logG= -0.048433 Density= 0.615993 ETOT(band)= -0.378384 trlgG= -0.480465 logG= -0.048433 TDE= -0.400005 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002660 tlogG= -0.049114 logG= -0.051774 Density= 0.575559 ETOT(band)= -0.411702 trlgG= -0.519193 logG= -0.051774 TDE= -0.401519 logGD-logG0= -0.005649 tlogG= -0.094121 logG= -0.099771 Density= 1.169445 ETOT(band)= -0.804427 trlgG= -1.013358 logG= -0.099771 TDE= -0.801486 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005423 tlogG= -0.096016 logG= -0.101439 Density= 0.864702 ETOT(band)= -0.612853 trlgG= -0.772400 logG= -0.101439 TDE= -0.802254 logGD-logG0= -0.005226 tlogG= -0.099445 logG= -0.104671 Density= 0.862369 ETOT(band)= -0.619827 trlgG= -0.780428 logG= -0.104671 TDE= -0.802718 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002728 tlogG= -0.048019 logG= -0.050747 Density= 0.865635 ETOT(band)= -0.612715 trlgG= -0.772313 logG= -0.050747 TDE= -0.401123 logGD-logG0= -0.002603 tlogG= -0.049828 logG= -0.052431 logGD-logG0= -0.000661 tlogG= -0.012422 logG= -0.013083 Density= 0.359497 ETOT(band)= -0.257811 trlgG= -0.325117 logG= -0.013083 TDE= -0.100371 Density= 0.574712 ETOT(band)= -0.413620 trlgG= -0.520514 logG= -0.052431 TDE= -0.401277 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002619 tlogG= -0.049810 logG= -0.052428 Density= 0.574936 ETOT(band)= -0.413296 trlgG= -0.520649 logG= -0.052428 TDE= -0.401454 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002831 tlogG= -0.045202 logG= -0.048034 Density= 0.582478 ETOT(band)= -0.402536 trlgG= -0.506855 logG= -0.048034 TDE= -0.400018 logGD-logG0= -0.002646 tlogG= -0.049567 logG= -0.052213 Density= 0.575292 ETOT(band)= -0.412329 trlgG= -0.519973 logG= -0.052213 TDE= -0.401523 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005320 tlogG= -0.097964 logG= -0.103284 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 Density= 0.863735 ETOT(band)= -0.616492 trlgG= -0.777416 logG= -0.103284 TDE= -0.803035 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005337 tlogG= -0.098153 logG= -0.103490 Density= 0.863438 ETOT(band)= -0.616695 trlgG= -0.777652 logG= -0.103490 TDE= -0.802805 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005505 tlogG= -0.094437 logG= -0.099942 Density= 1.156002 ETOT(band)= -0.811864 trlgG= -1.022561 logG= -0.099942 TDE= -0.801698 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005402 tlogG= -0.096502 logG= -0.101904 Density= 0.864552 ETOT(band)= -0.613689 trlgG= -0.773721 logG= -0.101904 TDE= -0.802547 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002956 tlogG= -0.044964 logG= -0.047920 Density= 0.588542 ETOT(band)= -0.395750 trlgG= -0.497463 logG= -0.047920 TDE= -0.399869 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005565 tlogG= -0.094801 logG= -0.100366 Density= 1.165221 ETOT(band)= -0.807973 trlgG= -1.018314 logG= -0.100366 TDE= -0.801887 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005777 tlogG= -0.090662 logG= -0.096439 Density= 1.174675 ETOT(band)= -0.794051 trlgG= -0.998591 logG= -0.096439 TDE= -0.800072 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005338 tlogG= -0.098050 logG= -0.103388 Density= 1.151640 ETOT(band)= -0.821921 trlgG= -1.036566 logG= -0.103388 TDE= -0.803038 38) Finished k-point 78 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.006059 tlogG= -0.088942 logG= -0.095001 logGD-logG0= -0.005261 tlogG= -0.099233 logG= -0.104494 Density= 0.862746 ETOT(band)= -0.619104 trlgG= -0.780224 logG= -0.104494 TDE= -0.803019 Density= 1.197458 ETOT(band)= -0.776365 trlgG= -0.978079 logG= -0.095001 TDE= -0.799132 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002751 tlogG= -0.047345 logG= -0.050096 Density= 0.578643 ETOT(band)= -0.405846 trlgG= -0.511455 logG= -0.050096 TDE= -0.401006 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002685 tlogG= -0.048510 logG= -0.051195 Density= 0.576361 ETOT(band)= -0.409518 trlgG= -0.516450 logG= -0.051195 TDE= -0.401436 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005477 tlogG= -0.094473 logG= -0.099950 Density= 0.866211 ETOT(band)= -0.609824 trlgG= -0.768565 logG= -0.099950 TDE= -0.802019 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002715 tlogG= -0.048282 logG= -0.050997 Density= 0.864930 ETOT(band)= -0.613895 trlgG= -0.774036 logG= -0.050997 TDE= -0.401278 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002681 tlogG= -0.048887 logG= -0.051568 Density= 0.863746 ETOT(band)= -0.616220 trlgG= -0.777117 logG= -0.051568 TDE= -0.401438 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.003011 tlogG= -0.043308 logG= -0.046318 Density= 0.445449 ETOT(band)= -0.294784 trlgG= -0.370881 logG= -0.046318 TDE= -0.399145 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.000659 tlogG= -0.012448 logG= -0.013107 Density= 0.359449 ETOT(band)= -0.258021 trlgG= -0.325352 logG= -0.013107 TDE= -0.100382 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002809 tlogG= -0.045632 logG= -0.048441 Density= 0.580686 ETOT(band)= -0.404207 trlgG= -0.509217 logG= -0.048441 TDE= -0.400284 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005397 tlogG= -0.096998 logG= -0.102395 logGD-logG0= -0.005475 tlogG= -0.095044 logG= -0.100519 Density= 1.152722 ETOT(band)= -0.819230 trlgG= -1.033104 logG= -0.102395 TDE= -0.802814 Density= 1.154919 ETOT(band)= -0.813703 trlgG= -1.025352 logG= -0.100519 TDE= -0.802060 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005685 tlogG= -0.091530 logG= -0.097215 Density= 1.171090 ETOT(band)= -0.797644 trlgG= -1.003867 logG= -0.097215 TDE= -0.800615 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005322 tlogG= -0.098469 logG= -0.103791 Density= 0.863322 ETOT(band)= -0.617310 trlgG= -0.778496 logG= -0.103791 TDE= -0.802977 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 Sum of eigenvalues= -386.725135169484 eV TrLogG= -487.205448741363 eV Ratio to renormalize= 1.000558184421 rho-rho_expected=-0.022872794011 nargs= 1 argi=dmft2.def 57) Finished k-point number 115 1 with #bands= 20 4) Finished k-point number 9 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 58) Finished k-point number 117 1 with #bands= 20 59) Finished k-point number 119 1 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 3) Finished k-point number 7 1 with #bands= 20 58) Finished k-point number 118 2 with #bands= 20 50) Finished k-point number 101 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 17) Finished k-point number 35 1 with #bands= 19 52) Finished k-point number 105 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 50) Finished k-point number 102 2 with #bands= 20 30) Finished k-point number 61 1 with #bands= 19 41) Finished k-point number 83 1 with #bands= 19 6) Finished k-point number 13 1 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 52) Finished k-point number 106 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 30) Finished k-point number 62 2 with #bands= 19 41) Finished k-point number 84 2 with #bands= 19 39) Finished k-point number 79 1 with #bands= 19 51) Finished k-point number 103 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 54) Finished k-point number 110 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 43) Finished k-point number 87 1 with #bands= 20 37) Finished k-point number 76 2 with #bands= 20 42) Finished k-point number 86 2 with #bands= 20 2) Finished k-point number 5 1 with #bands= 20 39) Finished k-point number 80 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 9) Finished k-point number 19 1 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 36) Finished k-point number 73 1 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 9) Finished k-point number 20 2 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 5) Finished k-point number 12 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 21) Finished k-point number 44 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 38) Finished k-point number 78 2 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 8) Finished k-point number 17 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 8) Finished k-point number 18 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 20 46) Finished k-point number 93 1 with #bands= 19 29) Finished k-point number 60 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 16) Finished k-point number 33 1 with #bands= 19 26) Finished k-point number 53 1 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 15) Finished k-point number 32 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 16) Finished k-point number 34 2 with #bands= 19 22) Finished k-point number 45 1 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 40) Finished k-point number 81 1 with #bands= 19 7) Finished k-point number 16 2 with #bands= 20 40) Finished k-point number 82 2 with #bands= 19 44) Finished k-point number 89 1 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.864709920607822 0.871866074117800 0.850054925035200 58) Finished k-point number 117 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 20 55) Finished k-point number 111 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 20 42) Finished k-point number 85 1 with #bands= 19 4) Finished k-point number 9 1 with #bands= 20 1) Finished k-point number 3 1 with #bands= 20 46) Finished k-point number 93 1 with #bands= 19 50) Finished k-point number 101 1 with #bands= 20 41) Finished k-point number 83 1 with #bands= 19 59) Finished k-point number 119 1 with #bands= 20 39) Finished k-point number 79 1 with #bands= 19 40) Finished k-point number 81 1 with #bands= 19 3) Finished k-point number 7 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 20 37) Finished k-point number 75 1 with #bands= 19 30) Finished k-point number 61 1 with #bands= 19 2) Finished k-point number 5 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 19 17) Finished k-point number 35 1 with #bands= 19 16) Finished k-point number 33 1 with #bands= 19 9) Finished k-point number 19 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 20 45) Finished k-point number 91 1 with #bands= 20 12) Finished k-point number 25 1 with #bands= 20 24) Finished k-point number 49 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 20 34) Finished k-point number 69 1 with #bands= 20 57) Finished k-point number 115 1 with #bands= 20 56) Finished k-point number 113 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 20 8) Finished k-point number 17 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 20 51) Finished k-point number 103 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 20 43) Finished k-point number 87 1 with #bands= 20 49) Finished k-point number 99 1 with #bands= 20 48) Finished k-point number 97 1 with #bands= 20 38) Finished k-point number 77 1 with #bands= 20 14) Finished k-point number 29 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 20 53) Finished k-point number 107 1 with #bands= 20 52) Finished k-point number 105 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 20 26) Finished k-point number 53 1 with #bands= 20 54) Finished k-point number 109 1 with #bands= 20 47) Finished k-point number 95 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 20 36) Finished k-point number 73 1 with #bands= 20 44) Finished k-point number 89 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 20 59) Finished k-point number 120 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 20 1) Finished k-point number 4 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 20 4) Finished k-point number 10 2 with #bands= 20 7) Finished k-point number 16 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 20 55) Finished k-point number 112 2 with #bands= 20 46) Finished k-point number 94 2 with #bands= 19 9) Finished k-point number 20 2 with #bands= 20 13) Finished k-point number 28 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 19 32) Finished k-point number 66 2 with #bands= 20 57) Finished k-point number 116 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 19 40) Finished k-point number 82 2 with #bands= 19 42) Finished k-point number 86 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 19 58) Finished k-point number 118 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 20 49) Finished k-point number 100 2 with #bands= 20 50) Finished k-point number 102 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 19 54) Finished k-point number 110 2 with #bands= 20 41) Finished k-point number 84 2 with #bands= 19 12) Finished k-point number 26 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 19 21) Finished k-point number 44 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 19 8) Finished k-point number 18 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 19 20) Finished k-point number 42 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 20 45) Finished k-point number 92 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 19 37) Finished k-point number 76 2 with #bands= 20 35) Finished k-point number 72 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 20 44) Finished k-point number 90 2 with #bands= 19 39) Finished k-point number 80 2 with #bands= 20 38) Finished k-point number 78 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 20 56) Finished k-point number 114 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 20 48) Finished k-point number 98 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 20 51) Finished k-point number 104 2 with #bands= 20 43) Finished k-point number 88 2 with #bands= 20 53) Finished k-point number 108 2 with #bands= 20 52) Finished k-point number 106 2 with #bands= 20 36) Finished k-point number 74 2 with #bands= 20 47) Finished k-point number 96 2 with #bands= 20 Data-size pr_processor[MBy]= 0.3167725 Total datasize is[MBy]= 19.00635 max_nbands= 20 nomega= 519 pr_proc= 2 nprocs= 60 EF 9.15971541923644 Density= 41.0007554185745 41.0000000000000 EF 8.88760158712286 Density= 40.6711652626552 41.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.67322673 0.65322673 0.755419E-03 -0.328835 1 0.67318089 0.67322673 -0.526589E-03 0.755419E-03 2 0.67319971 0.67322673 -0.112919E-05 0.755419E-03 3 0.67319976 0.67319971 0.790124E-11 -0.112919E-05 Absolute convergence of |F(X)|. Difference in EF= -0.0003669535 EF set to : 9.1593484657 new EF (no-mixing): 9.1593484657 mpr_proc= 2 myrank= 0 nprocs= 60 nkpt= 2 logGD-logG0= -0.000860 tlogG= -0.016583 logG= -0.017443 Density= 0.095717 ETOT(band)= -0.068988 trlgG= -0.086708 logG= -0.017443 TDE= -0.133701 58) Finished k-point 117 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000656 tlogG= -0.012475 logG= -0.013131 Density= 0.071864 ETOT(band)= -0.051681 trlgG= -0.065135 logG= -0.013131 TDE= -0.100383 42) Finished k-point 85 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001302 tlogG= -0.013001 logG= -0.014303 Density= 0.111631 ETOT(band)= -0.055896 trlgG= -0.071433 logG= -0.014303 TDE= -0.132280 0) Finished k-point 1 1 with nemin= 1 nemax= 35 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002633 tlogG= -0.049714 logG= -0.052347 Density= 0.287534 ETOT(band)= -0.206513 trlgG= -0.260319 logG= -0.052347 TDE= -0.401540 41) Finished k-point 83 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000644 tlogG= -0.012425 logG= -0.013069 Density= 0.071774 ETOT(band)= -0.051743 trlgG= -0.065024 logG= -0.013069 TDE= -0.100273 59) Finished k-point 119 1 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 25 logGD-logG0= -0.002664 tlogG= -0.049165 logG= -0.051829 Density= 0.287779 ETOT(band)= -0.205880 trlgG= -0.259636 logG= -0.051829 TDE= -0.401540 logGD-logG0= -0.000869 tlogG= -0.016564 logG= -0.017433 Density= 0.095800 ETOT(band)= -0.068897 trlgG= -0.086701 logG= -0.017433 TDE= -0.133760 logGD-logG0= -0.001142 tlogG= -0.013663 logG= -0.014805 Density= 0.101615 ETOT(band)= -0.063043 trlgG= -0.079014 logG= -0.014805 TDE= -0.132616 39) Finished k-point 79 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 55) Finished k-point 111 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 18) Finished k-point 37 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002693 tlogG= -0.048670 logG= -0.051363 Density= 0.288023 ETOT(band)= -0.205293 trlgG= -0.258911 logG= -0.051363 TDE= -0.401445 logGD-logG0= -0.000964 tlogG= -0.014754 logG= -0.015717 Density= 0.097944 ETOT(band)= -0.065979 trlgG= -0.083003 logG= -0.015717 TDE= -0.133222 37) Finished k-point 75 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 32) Finished k-point 65 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002656 tlogG= -0.049366 logG= -0.052022 Density= 0.287684 ETOT(band)= -0.206059 trlgG= -0.259858 logG= -0.052022 TDE= -0.401504 logGD-logG0= -0.002642 tlogG= -0.049678 logG= -0.052320 Density= 0.287567 ETOT(band)= -0.206394 trlgG= -0.260251 logG= -0.052320 TDE= -0.401521 30) Finished k-point 61 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 31) Finished k-point 63 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.005293 tlogG= -0.098880 logG= -0.104173 Density= 0.575301 ETOT(band)= -0.412398 trlgG= -0.519972 logG= -0.104173 TDE= -0.803091 40) Finished k-point 81 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.003561 tlogG= -0.040276 logG= -0.043837 Density= 0.317054 ETOT(band)= -0.180410 trlgG= -0.227825 logG= -0.043837 TDE= -0.397429 logGD-logG0= -0.000885 tlogG= -0.016310 logG= -0.017196 Density= 0.095951 ETOT(band)= -0.068551 trlgG= -0.086433 logG= -0.017196 TDE= -0.133832 4) Finished k-point 9 1 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 50) Finished k-point 101 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003420 tlogG= -0.041058 logG= -0.044478 Density= 0.318625 ETOT(band)= -0.179896 trlgG= -0.227888 logG= -0.044478 TDE= -0.397909 1) Finished k-point 3 1 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002648 tlogG= -0.049562 logG= -0.052211 Density= 0.287605 ETOT(band)= -0.206225 trlgG= -0.260058 logG= -0.052211 TDE= -0.401463 logGD-logG0= -0.002664 tlogG= -0.049219 logG= -0.051882 Density= 0.287723 ETOT(band)= -0.205868 trlgG= -0.259611 logG= -0.051882 TDE= -0.401424 17) Finished k-point 35 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 16) Finished k-point 33 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001298 tlogG= -0.024899 logG= -0.026197 Density= 0.143638 ETOT(band)= -0.103446 trlgG= -0.130082 logG= -0.026197 TDE= -0.200583 logGD-logG0= -0.001439 tlogG= -0.023507 logG= -0.024946 Density= 0.146359 ETOT(band)= -0.100624 trlgG= -0.126771 logG= -0.024946 TDE= -0.200354 logGD-logG0= -0.002587 tlogG= -0.049795 logG= -0.052382 Density= 0.287196 ETOT(band)= -0.206961 trlgG= -0.260165 logG= -0.052382 TDE= -0.401124 56) Finished k-point 113 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 21) Finished k-point 43 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 57) Finished k-point 115 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002627 tlogG= -0.049699 logG= -0.052326 Density= 0.287500 ETOT(band)= -0.206579 trlgG= -0.260271 logG= -0.052326 TDE= -0.401490 48) Finished k-point 97 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.003113 tlogG= -0.044153 logG= -0.047266 Density= 0.308230 ETOT(band)= -0.188511 trlgG= -0.239216 logG= -0.047266 TDE= -0.399451 2) Finished k-point 5 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002943 tlogG= -0.046627 logG= -0.049570 Density= 0.295367 ETOT(band)= -0.199188 trlgG= -0.251210 logG= -0.049570 TDE= -0.400481 logGD-logG0= -0.003031 tlogG= -0.046150 logG= -0.049181 Density= 0.307510 ETOT(band)= -0.190718 trlgG= -0.242501 logG= -0.049181 TDE= -0.400336 7) Finished k-point 15 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 3) Finished k-point 7 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002775 tlogG= -0.047621 logG= -0.050397 Density= 0.290956 ETOT(band)= -0.202690 trlgG= -0.255541 logG= -0.050397 TDE= -0.401016 24) Finished k-point 49 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005296 tlogG= -0.098618 logG= -0.103914 Density= 0.575396 ETOT(band)= -0.412188 trlgG= -0.519644 logG= -0.103914 TDE= -0.803087 46) Finished k-point 93 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002817 tlogG= -0.047291 logG= -0.050108 Density= 0.292100 ETOT(band)= -0.201775 trlgG= -0.254288 logG= -0.050108 TDE= -0.400822 10) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005963 tlogG= -0.091242 logG= -0.097205 Density= 0.592427 ETOT(band)= -0.395503 trlgG= -0.498522 logG= -0.097205 TDE= -0.800139 6) Finished k-point 13 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002680 tlogG= -0.048474 logG= -0.051154 Density= 0.288053 ETOT(band)= -0.205101 trlgG= -0.258656 logG= -0.051154 TDE= -0.401420 logGD-logG0= -0.002781 tlogG= -0.046451 logG= -0.049232 Density= 0.289587 ETOT(band)= -0.202362 trlgG= -0.254949 logG= -0.049232 TDE= -0.400666 45) Finished k-point 91 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002733 tlogG= -0.047924 logG= -0.050658 Density= 0.288759 ETOT(band)= -0.204191 trlgG= -0.257461 logG= -0.050658 TDE= -0.401196 33) Finished k-point 67 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002707 tlogG= -0.047867 logG= -0.050575 Density= 0.288310 ETOT(band)= -0.204387 trlgG= -0.257737 logG= -0.050575 TDE= -0.401253 logGD-logG0= -0.002629 tlogG= -0.049544 logG= -0.052173 Density= 0.287553 ETOT(band)= -0.206424 trlgG= -0.260065 logG= -0.052173 TDE= -0.401472 43) Finished k-point 87 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002615 tlogG= -0.049873 logG= -0.052488 Density= 0.287399 ETOT(band)= -0.206804 trlgG= -0.260445 logG= -0.052488 TDE= -0.401434 34) Finished k-point 69 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 51) Finished k-point 103 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 49) Finished k-point 99 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002740 tlogG= -0.047236 logG= -0.049976 Density= 0.288417 ETOT(band)= -0.203723 trlgG= -0.256672 logG= -0.049976 TDE= -0.400859 logGD-logG0= -0.005533 tlogG= -0.093322 logG= -0.098855 Density= 0.577832 ETOT(band)= -0.405857 trlgG= -0.511274 logG= -0.098855 TDE= -0.801415 13) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 25) Finished k-point 51 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002623 tlogG= -0.049552 logG= -0.052175 Density= 0.287526 ETOT(band)= -0.206456 trlgG= -0.260035 logG= -0.052175 TDE= -0.401422 logGD-logG0= -0.005567 tlogG= -0.092605 logG= -0.098172 Density= 0.578411 ETOT(band)= -0.404872 trlgG= -0.509761 logG= -0.098172 TDE= -0.800975 52) Finished k-point 105 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005895 tlogG= -0.088094 logG= -0.093990 11) Finished k-point 23 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002610 tlogG= -0.049772 logG= -0.052382 Density= 0.287383 ETOT(band)= -0.206765 trlgG= -0.260239 logG= -0.052382 TDE= -0.401323 Density= 0.588579 ETOT(band)= -0.395141 trlgG= -0.496645 logG= -0.093990 TDE= -0.798887 53) Finished k-point 107 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 8) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.006212 tlogG= -0.086093 logG= -0.092305 logGD-logG0= -0.002684 tlogG= -0.048649 logG= -0.051333 Density= 0.287902 ETOT(band)= -0.205268 trlgG= -0.258818 logG= -0.051333 TDE= -0.401301 logGD-logG0= -0.002641 tlogG= -0.049360 logG= -0.052001 Density= 0.602274 ETOT(band)= -0.384704 trlgG= -0.484630 logG= -0.092305 TDE= -0.797776 Density= 0.287661 ETOT(band)= -0.206162 trlgG= -0.259868 logG= -0.052001 TDE= -0.401520 15) Finished k-point 31 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 5) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 47) Finished k-point 95 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002599 tlogG= -0.049858 logG= -0.052457 Density= 0.287295 ETOT(band)= -0.206914 trlgG= -0.260304 logG= -0.052457 TDE= -0.401254 logGD-logG0= -0.005364 tlogG= -0.097214 logG= -0.102579 Density= 0.575976 ETOT(band)= -0.410491 trlgG= -0.517683 logG= -0.102579 TDE= -0.802851 logGD-logG0= -0.005468 tlogG= -0.095619 logG= -0.101087 54) Finished k-point 109 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.577138 ETOT(band)= -0.408328 trlgG= -0.514658 logG= -0.101087 TDE= -0.802100 12) Finished k-point 25 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005426 tlogG= -0.095981 logG= -0.101407 38) Finished k-point 77 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.576548 ETOT(band)= -0.409043 trlgG= -0.515781 logG= -0.101407 TDE= -0.802505 36) Finished k-point 73 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005793 tlogG= -0.089107 logG= -0.094900 Density= 0.586710 ETOT(band)= -0.397052 trlgG= -0.499448 logG= -0.094900 TDE= -0.799520 22) Finished k-point 45 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.002673 tlogG= -0.048926 logG= -0.051599 Density= 0.287883 ETOT(band)= -0.205621 trlgG= -0.259315 logG= -0.051599 TDE= -0.401519 logGD-logG0= -0.005391 tlogG= -0.097019 logG= -0.102409 Density= 0.575966 ETOT(band)= -0.410217 trlgG= -0.517215 logG= -0.102409 TDE= -0.802546 44) Finished k-point 89 1 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 14) Finished k-point 29 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002727 tlogG= -0.047530 logG= -0.050257 Density= 0.288363 ETOT(band)= -0.204030 trlgG= -0.257172 logG= -0.050257 TDE= -0.401040 logGD-logG0= -0.002913 tlogG= -0.046056 logG= -0.048969 Density= 0.293077 ETOT(band)= -0.200178 trlgG= -0.252003 logG= -0.048969 TDE= -0.400333 27) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 20) Finished k-point 41 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005609 tlogG= -0.093495 logG= -0.099104 Density= 0.583025 ETOT(band)= -0.403164 trlgG= -0.508001 logG= -0.099104 TDE= -0.801389 23) Finished k-point 47 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.003020 tlogG= -0.043619 logG= -0.046639 Density= 0.294979 ETOT(band)= -0.196850 trlgG= -0.247303 logG= -0.046639 TDE= -0.399244 logGD-logG0= -0.002775 tlogG= -0.046318 logG= -0.049092 19) Finished k-point 39 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 0.289041 ETOT(band)= -0.202540 trlgG= -0.255156 logG= -0.049092 TDE= -0.400647 35) Finished k-point 71 1 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005697 tlogG= -0.092745 logG= -0.098442 Density= 0.585036 ETOT(band)= -0.401419 trlgG= -0.505531 logG= -0.098442 TDE= -0.800935 9) Finished k-point 19 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005371 tlogG= -0.097434 logG= -0.102805 Density= 0.575866 ETOT(band)= -0.410693 trlgG= -0.517910 logG= -0.102805 TDE= -0.802778 28) Finished k-point 57 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005441 tlogG= -0.096165 logG= -0.101607 Density= 0.576666 ETOT(band)= -0.409120 trlgG= -0.515819 logG= -0.101607 TDE= -0.802423 26) Finished k-point 53 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002675 tlogG= -0.048840 logG= -0.051515 Density= 0.287864 ETOT(band)= -0.205489 trlgG= -0.259136 logG= -0.051515 TDE= -0.401411 29) Finished k-point 59 1 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000107 tlogG= -0.002069 logG= -0.002177 Density= 0.083735 ETOT(band)= -0.060367 trlgG= -0.075860 logG= -0.002177 TDE= -0.016712 59) Finished k-point 120 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 23 logGD-logG0= -0.000659 tlogG= -0.012447 logG= -0.013106 Density= 0.359449 ETOT(band)= -0.258022 trlgG= -0.325346 logG= -0.013106 TDE= -0.100380 31) Finished k-point 64 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000661 tlogG= -0.012421 logG= -0.013082 Density= 0.359496 ETOT(band)= -0.257812 trlgG= -0.325111 logG= -0.013082 TDE= -0.100369 17) Finished k-point 36 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.000913 tlogG= -0.015701 logG= -0.016614 Density= 0.168075 ETOT(band)= -0.119512 trlgG= -0.150641 logG= -0.016614 TDE= -0.133662 logGD-logG0= -0.002629 tlogG= -0.049808 logG= -0.052437 42) Finished k-point 86 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Density= 0.575029 ETOT(band)= -0.413134 trlgG= -0.520747 logG= -0.052437 TDE= -0.401532 41) Finished k-point 84 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002646 tlogG= -0.049562 logG= -0.052208 Density= 0.575291 ETOT(band)= -0.412329 trlgG= -0.519964 logG= -0.052208 TDE= -0.401515 30) Finished k-point 62 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.001364 tlogG= -0.024063 logG= -0.025427 Density= 0.433091 ETOT(band)= -0.306407 trlgG= -0.386355 logG= -0.025427 TDE= -0.200630 34) Finished k-point 70 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002643 tlogG= -0.049557 logG= -0.052200 Density= 0.862907 ETOT(band)= -0.618731 trlgG= -0.780110 logG= -0.052200 TDE= -0.401555 40) Finished k-point 82 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002653 tlogG= -0.049437 logG= -0.052091 Density= 0.575368 ETOT(band)= -0.411964 trlgG= -0.519511 logG= -0.052091 TDE= -0.401452 16) Finished k-point 34 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.003720 tlogG= -0.039650 logG= -0.043370 logGD-logG0= -0.003190 tlogG= -0.042215 logG= -0.045404 Density= 0.404721 ETOT(band)= -0.254068 trlgG= -0.318897 logG= -0.045404 TDE= -0.398530 logGD-logG0= -0.002644 tlogG= -0.049429 logG= -0.052073 Density= 0.863045 ETOT(band)= -0.618425 trlgG= -0.779628 logG= -0.052073 TDE= -0.401555 Density= 0.431696 ETOT(band)= -0.233925 trlgG= -0.296466 logG= -0.043370 TDE= -0.397130 18) Finished k-point 38 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 46) Finished k-point 94 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 0) Finished k-point 2 2 with nemin= 1 nemax= 36 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002824 tlogG= -0.045375 logG= -0.048199 Density= 0.388424 ETOT(band)= -0.266840 trlgG= -0.335862 logG= -0.048199 TDE= -0.400210 logGD-logG0= -0.003011 tlogG= -0.043302 logG= -0.046313 Density= 0.445448 ETOT(band)= -0.294785 trlgG= -0.370874 logG= -0.046313 TDE= -0.399137 32) Finished k-point 66 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 21) Finished k-point 44 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.001289 tlogG= -0.024866 logG= -0.026155 Density= 0.239279 ETOT(band)= -0.172476 trlgG= -0.216770 logG= -0.026155 TDE= -0.200552 58) Finished k-point 118 2 with nemin= 1 nemax= 41 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001334 tlogG= -0.024536 logG= -0.025870 Density= 0.431796 ETOT(band)= -0.308518 trlgG= -0.389075 logG= -0.025870 TDE= -0.200772 44) Finished k-point 90 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002660 tlogG= -0.049110 logG= -0.051769 logGD-logG0= -0.002705 tlogG= -0.047984 logG= -0.050689 Density= 0.576257 ETOT(band)= -0.409825 trlgG= -0.516823 logG= -0.050689 TDE= -0.401262 Density= 0.575559 ETOT(band)= -0.411703 trlgG= -0.519184 logG= -0.051769 TDE= -0.401512 37) Finished k-point 76 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 39) Finished k-point 80 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.001510 tlogG= -0.023210 logG= -0.024720 Density= 0.461224 ETOT(band)= -0.286220 trlgG= -0.363965 logG= -0.024720 TDE= -0.200224 3) Finished k-point 8 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003095 tlogG= -0.042714 logG= -0.045809 Density= 0.596372 ETOT(band)= -0.391769 trlgG= -0.493155 logG= -0.045809 TDE= -0.398773 7) Finished k-point 16 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 logGD-logG0= -0.003187 tlogG= -0.042650 logG= -0.045837 Density= 0.628508 ETOT(band)= -0.366081 trlgG= -0.463839 logG= -0.045837 TDE= -0.398727 1) Finished k-point 4 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.003062 tlogG= -0.045366 logG= -0.048428 Density= 0.615993 ETOT(band)= -0.378385 trlgG= -0.480456 logG= -0.048428 TDE= -0.399997 2) Finished k-point 6 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002832 tlogG= -0.045197 logG= -0.048028 Density= 0.582476 ETOT(band)= -0.402537 trlgG= -0.506845 logG= -0.048028 TDE= -0.400010 10) Finished k-point 22 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005905 tlogG= -0.092734 logG= -0.098639 Density= 1.183528 ETOT(band)= -0.793183 trlgG= -0.999984 logG= -0.098639 TDE= -0.800752 logGD-logG0= -0.006614 tlogG= -0.083108 logG= -0.089722 Density= 0.931907 ETOT(band)= -0.555706 trlgG= -0.699877 logG= -0.089722 TDE= -0.796248 4) Finished k-point 10 2 with nemin= 1 nemax= 37 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 29 6) Finished k-point 14 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002809 tlogG= -0.045627 logG= -0.048436 Density= 0.580685 ETOT(band)= -0.404208 trlgG= -0.509208 logG= -0.048436 TDE= -0.400276 24) Finished k-point 50 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002690 tlogG= -0.048683 logG= -0.051373 Density= 0.863896 ETOT(band)= -0.615509 trlgG= -0.776069 logG= -0.051373 TDE= -0.401316 14) Finished k-point 30 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002715 tlogG= -0.048277 logG= -0.050992 Density= 0.864929 ETOT(band)= -0.613896 trlgG= -0.774022 logG= -0.050992 TDE= -0.401270 26) Finished k-point 54 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002681 tlogG= -0.048882 logG= -0.051563 Density= 0.863745 ETOT(band)= -0.616221 trlgG= -0.777103 logG= -0.051563 TDE= -0.401430 28) Finished k-point 58 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 30 DM_nemaxx= 27 logGD-logG0= -0.002751 tlogG= -0.047340 logG= -0.050091 Density= 0.578642 ETOT(band)= -0.405847 trlgG= -0.511446 logG= -0.050091 TDE= -0.400998 33) Finished k-point 68 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005320 tlogG= -0.097954 logG= -0.103274 Density= 0.863734 ETOT(band)= -0.616493 trlgG= -0.777402 logG= -0.103274 TDE= -0.803019 logGD-logG0= -0.005423 tlogG= -0.096006 logG= -0.101429 Density= 0.864702 ETOT(band)= -0.612854 trlgG= -0.772385 logG= -0.101429 TDE= -0.802238 45) Finished k-point 92 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 13) Finished k-point 28 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002685 tlogG= -0.048505 logG= -0.051190 Density= 0.576360 ETOT(band)= -0.409519 trlgG= -0.516440 logG= -0.051190 TDE= -0.401428 43) Finished k-point 88 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002728 tlogG= -0.048014 logG= -0.050742 Density= 0.865634 ETOT(band)= -0.612717 trlgG= -0.772299 logG= -0.050742 TDE= -0.401115 logGD-logG0= -0.005475 tlogG= -0.095034 logG= -0.100509 Density= 1.154918 ETOT(band)= -0.813705 trlgG= -1.025333 logG= -0.100509 TDE= -0.802044 12) Finished k-point 26 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 25) Finished k-point 52 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005337 tlogG= -0.098143 logG= -0.103480 Density= 0.863437 ETOT(band)= -0.616696 trlgG= -0.777637 logG= -0.103480 TDE= -0.802789 15) Finished k-point 32 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000646 tlogG= -0.012448 logG= -0.013094 Density= 0.358988 ETOT(band)= -0.258707 trlgG= -0.325212 logG= -0.013094 TDE= -0.100283 57) Finished k-point 116 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002887 tlogG= -0.046769 logG= -0.049656 Density= 0.585884 ETOT(band)= -0.401155 trlgG= -0.505159 logG= -0.049656 TDE= -0.400618 20) Finished k-point 42 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005777 tlogG= -0.090651 logG= -0.096429 Density= 1.174673 ETOT(band)= -0.794053 trlgG= -0.998572 logG= -0.096429 TDE= -0.800056 logGD-logG0= -0.005505 tlogG= -0.094427 logG= -0.099932 8) Finished k-point 18 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 Density= 1.156000 ETOT(band)= -0.811866 trlgG= -1.022542 logG= -0.099932 TDE= -0.801682 11) Finished k-point 24 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002956 tlogG= -0.044959 logG= -0.047915 Density= 0.588541 ETOT(band)= -0.395751 trlgG= -0.497453 logG= -0.047915 TDE= -0.399861 19) Finished k-point 40 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002598 tlogG= -0.049769 logG= -0.052367 Density= 0.383108 ETOT(band)= -0.275734 trlgG= -0.346819 logG= -0.052367 TDE= -0.401168 55) Finished k-point 112 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005261 tlogG= -0.099224 logG= -0.104485 logGD-logG0= -0.005338 tlogG= -0.098040 logG= -0.103378 Density= 1.151639 ETOT(band)= -0.821922 trlgG= -1.036547 logG= -0.103378 TDE= -0.803023 Density= 0.862745 ETOT(band)= -0.619105 trlgG= -0.780210 logG= -0.104485 TDE= -0.803004 38) Finished k-point 78 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 47) Finished k-point 96 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005397 tlogG= -0.096988 logG= -0.102385 Density= 1.152721 ETOT(band)= -0.819231 trlgG= -1.033085 logG= -0.102385 TDE= -0.802799 logGD-logG0= -0.006059 tlogG= -0.088931 logG= -0.094990 Density= 1.197475 ETOT(band)= -0.776355 trlgG= -0.978048 logG= -0.094990 TDE= -0.799116 36) Finished k-point 74 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 5) Finished k-point 12 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.005565 tlogG= -0.094791 logG= -0.100356 Density= 1.165219 ETOT(band)= -0.807975 trlgG= -1.018296 logG= -0.100356 TDE= -0.801872 23) Finished k-point 48 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005649 tlogG= -0.094111 logG= -0.099761 Density= 1.169444 ETOT(band)= -0.804428 trlgG= -1.013339 logG= -0.099761 TDE= -0.801471 9) Finished k-point 20 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005402 tlogG= -0.096492 logG= -0.101894 Density= 0.864551 ETOT(band)= -0.613690 trlgG= -0.773707 logG= -0.101894 TDE= -0.802531 27) Finished k-point 56 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.005685 tlogG= -0.091520 logG= -0.097205 Density= 1.171087 ETOT(band)= -0.797646 trlgG= -1.003849 logG= -0.097205 TDE= -0.800599 22) Finished k-point 46 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 logGD-logG0= -0.002590 tlogG= -0.049793 logG= -0.052382 Density= 0.430864 ETOT(band)= -0.310379 trlgG= -0.390219 logG= -0.052382 TDE= -0.401115 56) Finished k-point 114 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.000653 tlogG= -0.012482 logG= -0.013135 Density= 0.359240 ETOT(band)= -0.258524 trlgG= -0.325572 logG= -0.013135 TDE= -0.100356 49) Finished k-point 100 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005477 tlogG= -0.094463 logG= -0.099940 Density= 0.866210 ETOT(band)= -0.609824 trlgG= -0.768550 logG= -0.099940 TDE= -0.802004 logGD-logG0= -0.002619 tlogG= -0.049805 logG= -0.052424 Density= 0.574936 ETOT(band)= -0.413297 trlgG= -0.520639 logG= -0.052424 TDE= -0.401446 35) Finished k-point 72 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 28 48) Finished k-point 98 2 with nemin= 1 nemax= 39 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005322 tlogG= -0.098459 logG= -0.103781 Density= 0.863321 ETOT(band)= -0.617311 trlgG= -0.778481 logG= -0.103781 TDE= -0.802962 29) Finished k-point 60 2 with nemin= 1 nemax= 38 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.000649 tlogG= -0.012471 logG= -0.013120 Density= 0.359110 ETOT(band)= -0.258656 trlgG= -0.325387 logG= -0.013120 TDE= -0.100309 54) Finished k-point 110 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 27 logGD-logG0= -0.002639 tlogG= -0.049302 logG= -0.051941 Density= 0.383628 ETOT(band)= -0.274666 trlgG= -0.346208 logG= -0.051941 TDE= -0.401498 50) Finished k-point 102 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.001313 tlogG= -0.024815 logG= -0.026128 Density= 0.431307 ETOT(band)= -0.309691 trlgG= -0.390148 logG= -0.026128 TDE= -0.200730 51) Finished k-point 104 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.002603 tlogG= -0.049823 logG= -0.052426 Density= 0.574712 ETOT(band)= -0.413621 trlgG= -0.520504 logG= -0.052426 TDE= -0.401269 53) Finished k-point 108 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 logGD-logG0= -0.005226 tlogG= -0.099435 logG= -0.104661 Density= 0.862369 ETOT(band)= -0.619828 trlgG= -0.780414 logG= -0.104661 TDE= -0.802703 52) Finished k-point 106 2 with nemin= 1 nemax= 40 DM_nemin= 12 DM_nemax= 31 DM_nemaxx= 26 Sum of eigenvalues= -386.725444798418 eV TrLogG= -487.196043396764 eV Ratio to renormalize= 1.000558208756 rho-rho_expected=-0.022873790646