nargs= 1 argi=dmft2.def Emin,Emax= 0.3678708171 1.3968519298 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 sumw= 1728.00000000000 1) Finished k-point number 2 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 20 7) Finished k-point number 8 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 20 33) Finished k-point number 34 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 20 26) Finished k-point number 27 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 18 35) Finished k-point number 36 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 20 41) Finished k-point number 42 1 with #bands= 18 49) Finished k-point number 50 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 20 24) Finished k-point number 25 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 20 31) Finished k-point number 32 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 20 30) Finished k-point number 31 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 18 13) Finished k-point number 14 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 55) Finished k-point number 56 1 with #bands= 20 14) Finished k-point number 15 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 20 70) Finished k-point number 71 1 with #bands= 20 71) Finished k-point number 72 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 20 66) Finished k-point number 67 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.932963270710993 0.932187361775320 6) Finished k-point number 7 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 18 39) Finished k-point number 40 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 18 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 20 10) Finished k-point number 11 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 20 2) Finished k-point number 3 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 20 3) Finished k-point number 4 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 20 70) Finished k-point number 71 1 with #bands= 20 7) Finished k-point number 8 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 20 13) Finished k-point number 14 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1831055 Total datasize is[MBy]= 13.91602 max_nbands= 24 nomega= 500 pr_proc= 1 nprocs= 76 EF 13.0051366882000 Density= 15.9297860066712 EF 13.2772505203136 Density= 16.2769938971102 Brent's Method Step XA XB F(XA) F(XB) 0 0.97586000 0.95586000 0.276994 -0.702140E-01 1 0.96586000 0.95586002 0.104245 -0.702140E-01 2 0.96086001 0.95585977 0.168157E-01 -0.702140E-01 3 0.95989565 0.96086001 -0.132962E-02 0.168157E-01 4 0.95996632 0.96086001 -0.110064E-03 0.168157E-01 5 0.95997266 0.95996632 0.880943E-07 -0.110064E-03 6 0.95997265 0.95997266 -0.578311E-10 0.880943E-07 Absolute convergence of |F(X)|. Difference in EF too large to mix 5.595543324659608E-002 cutoff= 2.9999999E-02 Difference in EF= 0.0559554332 EF set to : 13.0610921214 new EF (no-mixing): 13.0610921214 mpr_proc= 1 myrank= 0 nprocs= 76 nkpt= 73 42) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 63) Finished k-point 64 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 40) Finished k-point 41 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 39) Finished k-point 40 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 41) Finished k-point 42 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 6) Finished k-point 7 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 24 0) Finished k-point 1 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 24 34) Finished k-point 35 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 62) Finished k-point 63 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 35) Finished k-point 36 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 64) Finished k-point 65 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 28) Finished k-point 29 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 29) Finished k-point 30 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 36) Finished k-point 37 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 37) Finished k-point 38 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 57) Finished k-point 58 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 60) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 56) Finished k-point 57 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 61) Finished k-point 62 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 70) Finished k-point 71 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 67) Finished k-point 68 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 9) Finished k-point 10 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 11 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 12 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 1) Finished k-point 2 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 4 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 2) Finished k-point 3 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 22 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 21 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 32) Finished k-point 33 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 34 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 50) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 49) Finished k-point 50 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 48) Finished k-point 49 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 8 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 58) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 51) Finished k-point 52 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 53) Finished k-point 54 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 59) Finished k-point 60 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 71) Finished k-point 72 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 8) Finished k-point 9 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 24 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 32 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 54) Finished k-point 55 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 17 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 20 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 43) Finished k-point 44 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 44) Finished k-point 45 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 Sum of eigenvalues= -7.78877172282995 eV Ratio to renormalize= 1.00000000000379 nargs= 1 argi=dmft2.def Emin,Emax= 0.3678708171 1.3968519298 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 13.0610921214466 sumw= 1728.00000000000 3) Finished k-point number 4 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 20 30) Finished k-point number 31 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 20 7) Finished k-point number 8 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 20 8) Finished k-point number 9 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 18 38) Finished k-point number 39 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 20 40) Finished k-point number 41 1 with #bands= 18 47) Finished k-point number 48 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 41) Finished k-point number 42 1 with #bands= 18 46) Finished k-point number 47 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 20 14) Finished k-point number 15 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 18 52) Finished k-point number 53 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 18 65) Finished k-point number 66 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 20 66) Finished k-point number 67 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.932436422167945 0.931495939451141 6) Finished k-point number 7 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 18 39) Finished k-point number 40 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 18 5) Finished k-point number 6 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 20 11) Finished k-point number 12 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 20 3) Finished k-point number 4 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 7) Finished k-point number 8 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 20 23) Finished k-point number 24 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1831055 Total datasize is[MBy]= 13.91602 max_nbands= 24 nomega= 500 pr_proc= 1 nprocs= 76 EF 13.0610921214466 Density= 15.9902605045357 EF 13.3332059535602 Density= 16.3380124280036 Brent's Method Step XA XB F(XA) F(XB) 0 0.97997265 0.95997265 0.338012 -0.973950E-02 1 0.96997265 0.95997267 0.166475 -0.973949E-02 2 0.96497266 0.95997242 0.770429E-01 -0.973949E-02 3 0.96247254 0.95997255 0.291352E-01 -0.973949E-02 4 0.96122254 0.95997248 0.952054E-02 -0.973949E-02 5 0.96060742 0.95997248 0.456812E-03 -0.973949E-02 6 0.96057768 0.95997248 0.552760E-05 -0.973949E-02 7 0.96057731 0.96057768 -0.485340E-08 0.552760E-05 8 0.96057732 0.96057768 -0.905942E-13 0.552760E-05 Absolute convergence of |F(X)|. Difference in EF= 0.0082268848 EF set to : 13.0693190062 new EF (no-mixing): 13.0693190062 mpr_proc= 1 myrank= 0 nprocs= 76 nkpt= 73 42) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 63) Finished k-point 64 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 40) Finished k-point 41 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 39) Finished k-point 40 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 41) Finished k-point 42 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 0) Finished k-point 1 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 24 28) Finished k-point 29 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 29) Finished k-point 30 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 36) Finished k-point 37 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 37) Finished k-point 38 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 6) Finished k-point 7 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 24 34) Finished k-point 35 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 62) Finished k-point 63 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 64) Finished k-point 65 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 35) Finished k-point 36 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 60) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 70) Finished k-point 71 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 1) Finished k-point 2 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 4 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 2) Finished k-point 3 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 24 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 56) Finished k-point 57 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 57) Finished k-point 58 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 67) Finished k-point 68 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 9) Finished k-point 10 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 11 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 12 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 22 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 61) Finished k-point 62 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 20) Finished k-point 21 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 22) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 32 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 32) Finished k-point 33 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 34 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 49) Finished k-point 50 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 48) Finished k-point 49 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 50) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 59) Finished k-point 60 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 51) Finished k-point 52 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 54) Finished k-point 55 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 71) Finished k-point 72 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 8 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 53) Finished k-point 54 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 58) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 8) Finished k-point 9 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 17 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 20 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 43) Finished k-point 44 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 44) Finished k-point 45 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 Sum of eigenvalues= -6.74275289356301 eV Ratio to renormalize= 1.00000000000016 nargs= 1 argi=dmft2.def 21) Finished k-point number 22 1 with #bands= 22 Emin,Emax= 0.3678708171 1.3968519298 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 13.0693190062071 20) Finished k-point number 21 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 20 23) Finished k-point number 24 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 20 5) Finished k-point number 6 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 20 11) Finished k-point number 12 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 18 32) Finished k-point number 33 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 sumw= 1728.00000000000 18) Finished k-point number 19 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 20 44) Finished k-point number 45 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 45) Finished k-point number 46 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 20 41) Finished k-point number 42 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 18 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 43) Finished k-point number 44 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 14) Finished k-point number 15 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 18 65) Finished k-point number 66 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 20 66) Finished k-point number 67 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 20 69) Finished k-point number 70 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.926019936900352 0.923926244320101 6) Finished k-point number 7 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 18 39) Finished k-point number 40 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 18 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 7) Finished k-point number 8 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 20 9) Finished k-point number 10 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 20 2) Finished k-point number 3 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 20 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 20 15) Finished k-point number 16 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 20 21) Finished k-point number 22 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1831055 Total datasize is[MBy]= 13.91602 max_nbands= 24 nomega= 500 pr_proc= 1 nprocs= 76 EF 13.0693190062071 Density= 15.6857873693789 EF 13.3414328383206 Density= 16.0828759962802 Brent's Method Step XA XB F(XA) F(XB) 0 0.98057731 0.96057732 0.828760E-01 -0.314213 1 0.97640313 0.96057732 0.668677E-03 -0.314213 2 0.97636925 0.96057732 0.232618E-04 -0.314213 3 0.97636803 0.96057732 0.107251E-06 -0.314213 4 0.97636803 0.96057732 0.266116E-10 -0.314213 Absolute convergence of |F(X)|. Difference in EF too large to mix 0.214843546599777 cutoff= 2.9999999E-02 Difference in EF= 0.2148435466 EF set to : 13.2841625528 new EF (no-mixing): 13.2841625528 mpr_proc= 1 myrank= 0 nprocs= 76 nkpt= 73 42) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 63) Finished k-point 64 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 40) Finished k-point 41 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 41) Finished k-point 42 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 39) Finished k-point 40 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 6) Finished k-point 7 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 24 62) Finished k-point 63 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 0) Finished k-point 1 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 24 34) Finished k-point 35 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 37) Finished k-point 38 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 35) Finished k-point 36 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 29) Finished k-point 30 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 36) Finished k-point 37 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 28) Finished k-point 29 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 65) Finished k-point 66 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 64) Finished k-point 65 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 57) Finished k-point 58 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 56) Finished k-point 57 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 60) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 70) Finished k-point 71 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 9) Finished k-point 10 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 67) Finished k-point 68 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 68) Finished k-point 69 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 10) Finished k-point 11 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 12 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 1) Finished k-point 2 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 2) Finished k-point 3 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 4 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 24 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 22 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 22) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 32) Finished k-point 33 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 61) Finished k-point 62 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 20) Finished k-point 21 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 32 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 34 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 59) Finished k-point 60 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 49) Finished k-point 50 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 48) Finished k-point 49 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 58) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 51) Finished k-point 52 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 50) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 54) Finished k-point 55 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 71) Finished k-point 72 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 53) Finished k-point 54 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 8) Finished k-point 9 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 20 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 17 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 43) Finished k-point 44 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 Sum of eigenvalues= 2.40787800927379 eV Ratio to renormalize= 0.999999999998526 nargs= 1 argi=dmft2.def Emin,Emax= 0.3678708171 1.3968519298 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 13.2841625528068 19) Finished k-point number 20 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 22 sumw= 1728.00000000000 32) Finished k-point number 33 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 18 20) Finished k-point number 21 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 59) Finished k-point number 60 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 20 40) Finished k-point number 41 1 with #bands= 18 36) Finished k-point number 37 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 18 64) Finished k-point number 65 1 with #bands= 20 7) Finished k-point number 8 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 20 14) Finished k-point number 15 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 23) Finished k-point number 24 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 18 57) Finished k-point number 58 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 20 66) Finished k-point number 67 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 20 68) Finished k-point number 69 1 with #bands= 20 67) Finished k-point number 68 1 with #bands= 20 69) Finished k-point number 70 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.925688102187482 0.923440665312090 6) Finished k-point number 7 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 18 39) Finished k-point number 40 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 18 5) Finished k-point number 6 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 7) Finished k-point number 8 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 20 10) Finished k-point number 11 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 20 11) Finished k-point number 12 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 20 9) Finished k-point number 10 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 3) Finished k-point number 4 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 20 2) Finished k-point number 3 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 68) Finished k-point number 69 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 20 13) Finished k-point number 14 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1831055 Total datasize is[MBy]= 13.91602 max_nbands= 24 nomega= 500 pr_proc= 1 nprocs= 76 EF 13.2841625528068 Density= 16.0030410016592 EF 13.0120487206932 Density= 15.6009199080127 Brent's Method Step XA XB F(XA) F(XB) 0 0.97636803 0.95636803 0.304100E-02 -0.399080 1 0.97621678 0.95636803 0.251501E-03 -0.399080 2 0.97620315 0.97621678 -0.474636E-05 0.251501E-03 3 0.97620340 0.97620315 0.179560E-07 -0.474636E-05 4 0.97620340 0.97620315 0.198597E-11 -0.474636E-05 Absolute convergence of |F(X)|. Difference in EF= -0.0022398303 EF set to : 13.2819227225 new EF (no-mixing): 13.2819227225 mpr_proc= 1 myrank= 0 nprocs= 76 nkpt= 73 63) Finished k-point 64 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 42) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 6) Finished k-point 7 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 24 40) Finished k-point 41 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 39) Finished k-point 40 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 41) Finished k-point 42 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 0) Finished k-point 1 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 24 34) Finished k-point 35 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 62) Finished k-point 63 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 65) Finished k-point 66 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 35) Finished k-point 36 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 28) Finished k-point 29 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 64) Finished k-point 65 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 37) Finished k-point 38 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 36) Finished k-point 37 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 29) Finished k-point 30 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 57) Finished k-point 58 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 70) Finished k-point 71 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 4 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 1) Finished k-point 2 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 2) Finished k-point 3 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 24 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 22) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 32 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 56) Finished k-point 57 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 60) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 67) Finished k-point 68 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 68) Finished k-point 69 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 11) Finished k-point 12 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 11 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 9) Finished k-point 10 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 21 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 22 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 61) Finished k-point 62 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 32) Finished k-point 33 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 34 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 51) Finished k-point 52 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 49) Finished k-point 50 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 48) Finished k-point 49 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 50) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 58) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 59) Finished k-point 60 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 71) Finished k-point 72 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 54) Finished k-point 55 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 53) Finished k-point 54 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 8) Finished k-point 9 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 20 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 17 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 43) Finished k-point 44 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 Sum of eigenvalues= 3.04696136134423 eV Ratio to renormalize= 1.00000000000009 nargs= 1 argi=dmft2.def Emin,Emax= 0.3678708171 1.3968519298 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 13.2819227225092 23) Finished k-point number 24 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 22 sumw= 1728.00000000000 32) Finished k-point number 33 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 20 38) Finished k-point number 39 1 with #bands= 20 17) Finished k-point number 18 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 20 10) Finished k-point number 11 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 18 2) Finished k-point number 3 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 18 3) Finished k-point number 4 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 20 59) Finished k-point number 60 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 20 13) Finished k-point number 14 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 20 12) Finished k-point number 13 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 15) Finished k-point number 16 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 4) Finished k-point number 5 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 20 71) Finished k-point number 72 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 48) Finished k-point number 49 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 20 67) Finished k-point number 68 1 with #bands= 20 66) Finished k-point number 67 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 20 65) Finished k-point number 66 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 18 64) Finished k-point number 65 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.923245082788699 0.920556820233056 6) Finished k-point number 7 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 18 39) Finished k-point number 40 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 18 7) Finished k-point number 8 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 4) Finished k-point number 5 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 20 10) Finished k-point number 11 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 20 38) Finished k-point number 39 1 with #bands= 20 9) Finished k-point number 10 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 20 2) Finished k-point number 3 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 20 12) Finished k-point number 13 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 17) Finished k-point number 18 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 20 68) Finished k-point number 69 1 with #bands= 20 23) Finished k-point number 24 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1831055 Total datasize is[MBy]= 13.91602 max_nbands= 24 nomega= 500 pr_proc= 1 nprocs= 76 EF 13.2819227225092 Density= 16.1777940490234 EF 13.0098088903957 Density= 15.7970422112148 Brent's Method Step XA XB F(XA) F(XB) 0 0.97620340 0.95620340 0.177794 -0.202958 1 0.96686430 0.95620340 0.463750E-03 -0.202958 2 0.96683993 0.95620340 0.859771E-05 -0.202958 3 0.96683947 0.95620340 0.126126E-07 -0.202958 4 0.96683947 0.96683947 -0.271783E-12 0.126126E-07 Absolute convergence of |F(X)|. Difference in EF too large to mix -0.127402779010857 cutoff= 2.9999999E-02 Difference in EF= -0.1274027790 EF set to : 13.1545199435 new EF (no-mixing): 13.1545199435 mpr_proc= 1 myrank= 0 nprocs= 76 nkpt= 73 42) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 63) Finished k-point 64 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 39) Finished k-point 40 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 40) Finished k-point 41 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 41) Finished k-point 42 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 0) Finished k-point 1 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 24 6) Finished k-point 7 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 24 28) Finished k-point 29 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 29) Finished k-point 30 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 34) Finished k-point 35 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 36) Finished k-point 37 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 62) Finished k-point 63 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 65) Finished k-point 66 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 35) Finished k-point 36 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 64) Finished k-point 65 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 38) Finished k-point 39 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 57) Finished k-point 58 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 56) Finished k-point 57 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 70) Finished k-point 71 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 67) Finished k-point 68 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 68) Finished k-point 69 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 10) Finished k-point 11 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 12 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 9) Finished k-point 10 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 1) Finished k-point 2 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 4 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 2) Finished k-point 3 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 18 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 22) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 24 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 37) Finished k-point 38 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 60) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 21) Finished k-point 22 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 21 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 61) Finished k-point 62 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 32 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 32) Finished k-point 33 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 34 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 49) Finished k-point 50 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 50) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 51) Finished k-point 52 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 48) Finished k-point 49 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 53) Finished k-point 54 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 54) Finished k-point 55 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 71) Finished k-point 72 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 58) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 59) Finished k-point 60 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 8) Finished k-point 9 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 17 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 20 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 43) Finished k-point 44 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 Sum of eigenvalues= 7.24456585173578 eV Ratio to renormalize= 1.00000000000014 nargs= 1 argi=dmft2.def Emin,Emax= 0.3678708171 1.3968519298 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 13.1545199434984 sumw= 1728.00000000000 5) Finished k-point number 6 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 20 19) Finished k-point number 20 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 20 23) Finished k-point number 24 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 18 21) Finished k-point number 22 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 18 16) Finished k-point number 17 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 8) Finished k-point number 9 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 20 46) Finished k-point number 47 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 36) Finished k-point number 37 1 with #bands= 20 47) Finished k-point number 48 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 20 34) Finished k-point number 35 1 with #bands= 20 15) Finished k-point number 16 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 20 39) Finished k-point number 40 1 with #bands= 18 26) Finished k-point number 27 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 20 58) Finished k-point number 59 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 18 65) Finished k-point number 66 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 20 69) Finished k-point number 70 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 20 68) Finished k-point number 69 1 with #bands= 20 66) Finished k-point number 67 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.922893237077753 0.919986672959197 6) Finished k-point number 7 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 39) Finished k-point number 40 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 18 5) Finished k-point number 6 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 20 9) Finished k-point number 10 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 20 10) Finished k-point number 11 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 20 11) Finished k-point number 12 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 20 65) Finished k-point number 66 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 20 3) Finished k-point number 4 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 20 15) Finished k-point number 16 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 20 23) Finished k-point number 24 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1831055 Total datasize is[MBy]= 13.91602 max_nbands= 24 nomega= 500 pr_proc= 1 nprocs= 76 EF 13.1545199434984 Density= 15.9801098426391 EF 13.4266337756120 Density= 16.3692531406015 Brent's Method Step XA XB F(XA) F(XB) 0 0.98683947 0.96683947 0.369253 -0.198902E-01 1 0.97683947 0.96683949 0.164521 -0.198902E-01 2 0.97183948 0.96683972 0.725878E-01 -0.198901E-01 3 0.96933960 0.96683936 0.257973E-01 -0.198902E-01 4 0.96808948 0.96683954 0.298069E-02 -0.198902E-01 5 0.96792641 0.96683954 0.207116E-04 -0.198902E-01 6 0.96792527 0.96683954 0.838432E-08 -0.198902E-01 7 0.96792527 0.96683954 0.126121E-12 -0.198902E-01 Absolute convergence of |F(X)|. Difference in EF= 0.0147730828 EF set to : 13.1692930263 new EF (no-mixing): 13.1692930263 mpr_proc= 1 myrank= 0 nprocs= 76 nkpt= 73 42) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 63) Finished k-point 64 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 40) Finished k-point 41 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 39) Finished k-point 40 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 41) Finished k-point 42 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 0) Finished k-point 1 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 24 28) Finished k-point 29 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 36) Finished k-point 37 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 6) Finished k-point 7 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 24 62) Finished k-point 63 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 34) Finished k-point 35 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 65) Finished k-point 66 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 35) Finished k-point 36 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 64) Finished k-point 65 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 37) Finished k-point 38 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 29) Finished k-point 30 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 38) Finished k-point 39 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 57) Finished k-point 58 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 60) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 56) Finished k-point 57 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 61) Finished k-point 62 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 70) Finished k-point 71 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 68) Finished k-point 69 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 67) Finished k-point 68 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 9) Finished k-point 10 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 11 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 12 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 4 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 2) Finished k-point 3 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 1) Finished k-point 2 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 18 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 24 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 21 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 22) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 32 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 22 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 32) Finished k-point 33 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 34 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 48) Finished k-point 49 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 49) Finished k-point 50 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 50) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 51) Finished k-point 52 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 58) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 54) Finished k-point 55 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 53) Finished k-point 54 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 71) Finished k-point 72 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 59) Finished k-point 60 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 8) Finished k-point 9 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 17 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 20 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 43) Finished k-point 44 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 Sum of eigenvalues= 7.92389811245479 eV Ratio to renormalize= 1.00000000000017 nargs= 1 argi=dmft2.def 26) Finished k-point number 27 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 Emin,Emax= 0.3678708171 1.3968519298 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 13.1692930262901 32) Finished k-point number 33 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 20 30) Finished k-point number 31 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 18 31) Finished k-point number 32 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 18 42) Finished k-point number 43 1 with #bands= 18 10) Finished k-point number 11 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 20 44) Finished k-point number 45 1 with #bands= 22 sumw= 1728.00000000000 53) Finished k-point number 54 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 2) Finished k-point number 3 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 20 12) Finished k-point number 13 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 13) Finished k-point number 14 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 18 65) Finished k-point number 66 1 with #bands= 20 68) Finished k-point number 69 1 with #bands= 20 66) Finished k-point number 67 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 20 67) Finished k-point number 68 1 with #bands= 20 39) Finished k-point number 40 1 with #bands= 18 69) Finished k-point number 70 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.923417398919915 0.920674728018391 6) Finished k-point number 7 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 18 39) Finished k-point number 40 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 18 4) Finished k-point number 5 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 5) Finished k-point number 6 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 20 11) Finished k-point number 12 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 20 10) Finished k-point number 11 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 20 65) Finished k-point number 66 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 20 2) Finished k-point number 3 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 20 70) Finished k-point number 71 1 with #bands= 20 12) Finished k-point number 13 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 20 67) Finished k-point number 68 1 with #bands= 20 21) Finished k-point number 22 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1831055 Total datasize is[MBy]= 13.91602 max_nbands= 24 nomega= 500 pr_proc= 1 nprocs= 76 EF 13.1692930262901 Density= 16.0282804072127 EF 12.8971791941765 Density= 15.6418025415022 Brent's Method Step XA XB F(XA) F(XB) 0 0.96792527 0.94792527 0.282804E-01 -0.358197 1 0.96646178 0.94792527 0.233997E-02 -0.358197 2 0.96633062 0.96646178 -0.377781E-05 0.233997E-02 3 0.96633083 0.96646178 -0.420734E-08 0.233997E-02 4 0.96633083 0.96633083 0.342837E-12 -0.420734E-08 Absolute convergence of |F(X)|. Difference in EF= -0.0216934756 EF set to : 13.1475995507 new EF (no-mixing): 13.1475995507 mpr_proc= 1 myrank= 0 nprocs= 76 nkpt= 73 42) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 63) Finished k-point 64 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 39) Finished k-point 40 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 6) Finished k-point 7 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 24 41) Finished k-point 42 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 40) Finished k-point 41 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 34) Finished k-point 35 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 0) Finished k-point 1 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 24 62) Finished k-point 63 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 65) Finished k-point 66 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 64) Finished k-point 65 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 35) Finished k-point 36 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 29) Finished k-point 30 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 36) Finished k-point 37 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 38) Finished k-point 39 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 28) Finished k-point 29 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 60) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 37) Finished k-point 38 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 57) Finished k-point 58 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 56) Finished k-point 57 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 61) Finished k-point 62 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 70) Finished k-point 71 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 68) Finished k-point 69 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 67) Finished k-point 68 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 11) Finished k-point 12 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 11 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 9) Finished k-point 10 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 1) Finished k-point 2 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 2) Finished k-point 3 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 4 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 22) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 21 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 22 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 24 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 18 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 32) Finished k-point 33 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 32 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 34 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 49) Finished k-point 50 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 50) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 48) Finished k-point 49 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 51) Finished k-point 52 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 58) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 71) Finished k-point 72 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 59) Finished k-point 60 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 53) Finished k-point 54 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 54) Finished k-point 55 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 8) Finished k-point 9 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 17 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 20 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 43) Finished k-point 44 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 Sum of eigenvalues= 6.94511087580959 eV Ratio to renormalize= 1.00000000000016 nargs= 1 argi=dmft2.def Emin,Emax= 0.3678708171 1.3968519298 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 13.1475995506968 sumw= 1728.00000000000 37) Finished k-point number 38 1 with #bands= 20 20) Finished k-point number 21 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 20 21) Finished k-point number 22 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 20 13) Finished k-point number 14 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 28) Finished k-point number 29 1 with #bands= 20 8) Finished k-point number 9 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 18 43) Finished k-point number 44 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 70) Finished k-point number 71 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 18 38) Finished k-point number 39 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 20 68) Finished k-point number 69 1 with #bands= 20 67) Finished k-point number 68 1 with #bands= 20 66) Finished k-point number 67 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 18 4) Finished k-point number 5 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.923281158689795 0.920402049302639 6) Finished k-point number 7 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 39) Finished k-point number 40 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 18 7) Finished k-point number 8 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 20 9) Finished k-point number 10 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 20 10) Finished k-point number 11 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 20 38) Finished k-point number 39 1 with #bands= 20 11) Finished k-point number 12 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 20 3) Finished k-point number 4 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 20 2) Finished k-point number 3 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 20 70) Finished k-point number 71 1 with #bands= 20 13) Finished k-point number 14 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 20 45) Finished k-point number 46 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1831055 Total datasize is[MBy]= 13.91602 max_nbands= 24 nomega= 500 pr_proc= 1 nprocs= 76 EF 13.1475995506968 Density= 15.9842755960301 EF 13.4197133828104 Density= 16.3599168713726 Brent's Method Step XA XB F(XA) F(XB) 0 0.98633083 0.96633083 0.359917 -0.157244E-01 1 0.97633083 0.96633085 0.166581 -0.157244E-01 2 0.97133084 0.96633060 0.754709E-01 -0.157244E-01 3 0.96883072 0.96633072 0.286215E-01 -0.157244E-01 4 0.96758072 0.96633066 0.644664E-02 -0.157244E-01 5 0.96721727 0.96758072 -0.288055E-04 0.644664E-02 6 0.96721888 0.96721727 0.151386E-06 -0.288055E-04 7 0.96721887 0.96721888 -0.220091E-11 0.151386E-06 Absolute convergence of |F(X)|. Difference in EF= 0.0120824710 EF set to : 13.1596820217 new EF (no-mixing): 13.1596820217 mpr_proc= 1 myrank= 0 nprocs= 76 nkpt= 73 42) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 63) Finished k-point 64 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 39) Finished k-point 40 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 40) Finished k-point 41 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 41) Finished k-point 42 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 0) Finished k-point 1 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 24 6) Finished k-point 7 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 24 62) Finished k-point 63 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 34) Finished k-point 35 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 65) Finished k-point 66 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 35) Finished k-point 36 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 64) Finished k-point 65 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 36) Finished k-point 37 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 28) Finished k-point 29 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 29) Finished k-point 30 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 37) Finished k-point 38 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 38) Finished k-point 39 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 56) Finished k-point 57 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 70) Finished k-point 71 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 3 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 4 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 1) Finished k-point 2 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 24 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 57) Finished k-point 58 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 60) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 68) Finished k-point 69 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 67) Finished k-point 68 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 9) Finished k-point 10 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 11 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 12 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 18 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 22 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 22) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 61) Finished k-point 62 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 20) Finished k-point 21 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 32) Finished k-point 33 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 32 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 34 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 49) Finished k-point 50 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 51) Finished k-point 52 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 50) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 48) Finished k-point 49 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 54) Finished k-point 55 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 58) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 59) Finished k-point 60 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 53) Finished k-point 54 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 71) Finished k-point 72 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 8) Finished k-point 9 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 17 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 20 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 43) Finished k-point 44 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 Sum of eigenvalues= 7.24649312278312 eV Ratio to renormalize= 1.00000000000030 nargs= 1 argi=dmft2.def Emin,Emax= 0.3678708171 1.3968519298 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 13.1596820217413 33) Finished k-point number 34 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 25) Finished k-point number 26 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 20 sumw= 1728.00000000000 30) Finished k-point number 31 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 20 20) Finished k-point number 21 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 20 11) Finished k-point number 12 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 20 59) Finished k-point number 60 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 18 2) Finished k-point number 3 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 20 22) Finished k-point number 23 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 20 47) Finished k-point number 48 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 20 46) Finished k-point number 47 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 20 9) Finished k-point number 10 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 18 27) Finished k-point number 28 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 18 61) Finished k-point number 62 1 with #bands= 20 58) Finished k-point number 59 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 20 71) Finished k-point number 72 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 14) Finished k-point number 15 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 20 67) Finished k-point number 68 1 with #bands= 20 69) Finished k-point number 70 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 20 4) Finished k-point number 5 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 20 65) Finished k-point number 66 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 18 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.923197809158100 0.920419218672038 6) Finished k-point number 7 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 39) Finished k-point number 40 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 18 5) Finished k-point number 6 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 4) Finished k-point number 5 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 20 65) Finished k-point number 66 1 with #bands= 20 38) Finished k-point number 39 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 20 11) Finished k-point number 12 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 20 12) Finished k-point number 13 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 67) Finished k-point number 68 1 with #bands= 20 15) Finished k-point number 16 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 20 24) Finished k-point number 25 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1831055 Total datasize is[MBy]= 13.91602 max_nbands= 24 nomega= 500 pr_proc= 1 nprocs= 76 EF 13.1596820217413 Density= 15.9944415745337 EF 13.4317958538548 Density= 16.3743690585227 Brent's Method Step XA XB F(XA) F(XB) 0 0.98721887 0.96721887 0.374369 -0.555843E-02 1 0.97721887 0.96721842 0.177421 -0.555843E-02 2 0.97221865 0.96721865 0.866992E-01 -0.555843E-02 3 0.96971865 0.96721853 0.394750E-01 -0.555843E-02 4 0.96846859 0.96721859 0.164852E-01 -0.555843E-02 5 0.96784359 0.96721880 0.539585E-02 -0.555842E-02 6 0.96753677 0.96721880 0.940501E-04 -0.555842E-02 7 0.96753141 0.96721880 0.164962E-05 -0.555842E-02 8 0.96753131 0.96753141 -0.121045E-08 0.164962E-05 9 0.96753131 0.96753131 0.513667E-09 -0.121045E-08 10 0.96753131 0.96753131 -0.121045E-08 0.513667E-09 11 0.96753131 0.96753131 -0.121045E-08 0.513667E-09 Absolute convergence of the X interval. Difference in EF= 0.0042509085 EF set to : 13.1639329302 new EF (no-mixing): 13.1639329302 mpr_proc= 1 myrank= 0 nprocs= 76 nkpt= 73 42) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 63) Finished k-point 64 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 40) Finished k-point 41 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 39) Finished k-point 40 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 41) Finished k-point 42 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 6) Finished k-point 7 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 24 0) Finished k-point 1 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 24 34) Finished k-point 35 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 62) Finished k-point 63 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 65) Finished k-point 66 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 28) Finished k-point 29 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 64) Finished k-point 65 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 36) Finished k-point 37 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 35) Finished k-point 36 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 29) Finished k-point 30 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 38) Finished k-point 39 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 37) Finished k-point 38 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 57) Finished k-point 58 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 60) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 56) Finished k-point 57 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 61) Finished k-point 62 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 70) Finished k-point 71 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 67) Finished k-point 68 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 68) Finished k-point 69 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 9) Finished k-point 10 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 11 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 12 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 4 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 1) Finished k-point 2 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 2) Finished k-point 3 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 18 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 24 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 22 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 22) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 21 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 32) Finished k-point 33 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 32 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 51) Finished k-point 52 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 34 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 48) Finished k-point 49 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 49) Finished k-point 50 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 50) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 54) Finished k-point 55 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 58) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 53) Finished k-point 54 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 71) Finished k-point 72 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 8) Finished k-point 9 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 59) Finished k-point 60 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 20 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 17 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 43) Finished k-point 44 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 Sum of eigenvalues= 7.26689917444868 eV Ratio to renormalize= 1.00000000007582 nargs= 1 argi=dmft2.def Emin,Emax= 0.3678708171 1.3968519298 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 13.1639329301926 sumw= 1728.00000000000 3) Finished k-point number 4 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 20 20) Finished k-point number 21 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 20 45) Finished k-point number 46 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 18 50) Finished k-point number 51 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 18 18) Finished k-point number 19 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 20 6) Finished k-point number 7 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 18 37) Finished k-point number 38 1 with #bands= 20 5) Finished k-point number 6 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 20 48) Finished k-point number 49 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 20 30) Finished k-point number 31 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 20 59) Finished k-point number 60 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 18 64) Finished k-point number 65 1 with #bands= 20 7) Finished k-point number 8 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 20 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 20 66) Finished k-point number 67 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.923337656464229 0.920630116713134 6) Finished k-point number 7 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 39) Finished k-point number 40 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 18 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 7) Finished k-point number 8 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 20 9) Finished k-point number 10 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 20 38) Finished k-point number 39 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 20 65) Finished k-point number 66 1 with #bands= 20 10) Finished k-point number 11 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 20 68) Finished k-point number 69 1 with #bands= 20 13) Finished k-point number 14 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1831055 Total datasize is[MBy]= 13.91602 max_nbands= 24 nomega= 500 pr_proc= 1 nprocs= 76 EF 13.1639329301926 Density= 16.0067853840168 EF 12.8918190980790 Density= 15.6117883753985 Brent's Method Step XA XB F(XA) F(XB) 0 0.96753131 0.94753131 0.678538E-02 -0.388212 1 0.96718774 0.94753131 0.738134E-03 -0.388212 2 0.96714589 0.94753131 0.196383E-06 -0.388212 3 0.96714588 0.94753131 0.151127E-09 -0.388212 4 0.96714588 0.96714588 -0.161156E-08 0.151127E-09 5 0.96714588 0.96714588 -0.161156E-08 0.151127E-09 Absolute convergence of the X interval. Difference in EF= -0.0052440977 EF set to : 13.1586888325 new EF (no-mixing): 13.1586888325 mpr_proc= 1 myrank= 0 nprocs= 76 nkpt= 73 42) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 63) Finished k-point 64 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 40) Finished k-point 41 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 39) Finished k-point 40 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 41) Finished k-point 42 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 6) Finished k-point 7 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 24 0) Finished k-point 1 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 24 34) Finished k-point 35 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 62) Finished k-point 63 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 65) Finished k-point 66 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 36) Finished k-point 37 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 29) Finished k-point 30 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 35) Finished k-point 36 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 28) Finished k-point 29 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 38) Finished k-point 39 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 64) Finished k-point 65 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 56) Finished k-point 57 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 57) Finished k-point 58 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 70) Finished k-point 71 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 3 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 1) Finished k-point 2 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 4 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 24 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 22) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 32 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 67) Finished k-point 68 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 68) Finished k-point 69 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 9) Finished k-point 10 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 12 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 11 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 18 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 37) Finished k-point 38 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 61) Finished k-point 62 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 60) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 21 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 22 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 32) Finished k-point 33 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 50) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 51) Finished k-point 52 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 58) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 54) Finished k-point 55 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 53) Finished k-point 54 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 59) Finished k-point 60 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 71) Finished k-point 72 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 34 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 49) Finished k-point 50 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 48) Finished k-point 49 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 8) Finished k-point 9 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 17 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 20 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 43) Finished k-point 44 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 Sum of eigenvalues= 6.97859721227492 eV Ratio to renormalize= 1.00000000010089 nargs= 1 argi=dmft2.def 19) Finished k-point number 20 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 20 8) Finished k-point number 9 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 20 34) Finished k-point number 35 1 with #bands= 20 25) Finished k-point number 26 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 20 10) Finished k-point number 11 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 22 Emin,Emax= 0.3678708171 1.3968519298 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 36) Finished k-point number 37 1 with #bands= 20 Found EF.dat and EF is 13.1586888324573 41) Finished k-point number 42 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 18 32) Finished k-point number 33 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 20 48) Finished k-point number 49 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 20 58) Finished k-point number 59 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 20 71) Finished k-point number 72 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 59) Finished k-point number 60 1 with #bands= 22 sumw= 1728.00000000000 63) Finished k-point number 64 1 with #bands= 18 15) Finished k-point number 16 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 20 45) Finished k-point number 46 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 20 13) Finished k-point number 14 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 62) Finished k-point number 63 1 with #bands= 20 68) Finished k-point number 69 1 with #bands= 20 67) Finished k-point number 68 1 with #bands= 20 65) Finished k-point number 66 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.923360897217101 0.920527978422657 6) Finished k-point number 7 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 39) Finished k-point number 40 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 18 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 7) Finished k-point number 8 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 20 65) Finished k-point number 66 1 with #bands= 20 10) Finished k-point number 11 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 20 38) Finished k-point number 39 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 20 3) Finished k-point number 4 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 20 17) Finished k-point number 18 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 20 68) Finished k-point number 69 1 with #bands= 20 23) Finished k-point number 24 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1831055 Total datasize is[MBy]= 13.91602 max_nbands= 24 nomega= 500 pr_proc= 1 nprocs= 76 EF 13.1586888324573 Density= 15.9941917018460 EF 13.4308026645709 Density= 16.3729389045453 Brent's Method Step XA XB F(XA) F(XB) 0 0.98714588 0.96714588 0.372939 -0.580830E-02 1 0.97714588 0.96714590 0.177708 -0.580830E-02 2 0.97214589 0.96714565 0.858729E-01 -0.580830E-02 3 0.96964577 0.96714577 0.390096E-01 -0.580830E-02 4 0.96839577 0.96714571 0.161289E-01 -0.580830E-02 5 0.96777074 0.96714550 0.505239E-02 -0.580830E-02 6 0.96748138 0.96714550 0.990061E-04 -0.580830E-02 7 0.96747567 0.96714550 0.104331E-05 -0.580830E-02 8 0.96747561 0.96747567 -0.141727E-08 0.104331E-05 9 0.96747561 0.96747561 0.300838E-09 -0.141727E-08 10 0.96747561 0.96747561 -0.141727E-08 0.300838E-09 11 0.96747561 0.96747561 -0.141727E-08 0.300838E-09 Absolute convergence of the X interval. Difference in EF= 0.0044862095 EF set to : 13.1631750420 new EF (no-mixing): 13.1631750420 mpr_proc= 1 myrank= 0 nprocs= 76 nkpt= 73 42) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 63) Finished k-point 64 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 39) Finished k-point 40 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 40) Finished k-point 41 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 41) Finished k-point 42 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 0) Finished k-point 1 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 24 6) Finished k-point 7 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 24 28) Finished k-point 29 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 62) Finished k-point 63 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 65) Finished k-point 66 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 34) Finished k-point 35 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 64) Finished k-point 65 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 35) Finished k-point 36 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 37) Finished k-point 38 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 36) Finished k-point 37 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 38) Finished k-point 39 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 56) Finished k-point 57 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 57) Finished k-point 58 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 70) Finished k-point 71 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 1) Finished k-point 2 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 2) Finished k-point 3 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 4 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 24 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 22) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 67) Finished k-point 68 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 68) Finished k-point 69 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 9) Finished k-point 10 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 11 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 12 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 18 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 29) Finished k-point 30 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 60) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 61) Finished k-point 62 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 21) Finished k-point 22 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 21 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 32) Finished k-point 33 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 34 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 49) Finished k-point 50 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 58) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 51) Finished k-point 52 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 54) Finished k-point 55 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 50) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 48) Finished k-point 49 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 71) Finished k-point 72 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 53) Finished k-point 54 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 59) Finished k-point 60 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 32 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 8) Finished k-point 9 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 20 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 17 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 43) Finished k-point 44 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 Sum of eigenvalues= 7.03580347626434 eV Ratio to renormalize= 1.00000000008875 nargs= 1 argi=dmft2.def Emin,Emax= 0.3678708171 1.3968519298 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 13.1631750420046 21) Finished k-point number 22 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 20 34) Finished k-point number 35 1 with #bands= 20 39) Finished k-point number 40 1 with #bands= 18 3) Finished k-point number 4 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 22 sumw= 1728.00000000000 15) Finished k-point number 16 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 43) Finished k-point number 44 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 20 5) Finished k-point number 6 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 20 18) Finished k-point number 19 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 18 49) Finished k-point number 50 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 18 50) Finished k-point number 51 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 71) Finished k-point number 72 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 20 65) Finished k-point number 66 1 with #bands= 20 69) Finished k-point number 70 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 20 68) Finished k-point number 69 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 20 66) Finished k-point number 67 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 20 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 18 45) Finished k-point number 46 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.923254286668964 0.920592566220212 6) Finished k-point number 7 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 18 39) Finished k-point number 40 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 18 4) Finished k-point number 5 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 7) Finished k-point number 8 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 20 9) Finished k-point number 10 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 20 38) Finished k-point number 39 1 with #bands= 20 10) Finished k-point number 11 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 20 11) Finished k-point number 12 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 20 2) Finished k-point number 3 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 12) Finished k-point number 13 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 20 20) Finished k-point number 21 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1831055 Total datasize is[MBy]= 13.91602 max_nbands= 24 nomega= 500 pr_proc= 1 nprocs= 76 EF 13.1631750420046 Density= 15.9980807024113 EF 13.4352888741182 Density= 16.3780710147268 Brent's Method Step XA XB F(XA) F(XB) 0 0.98747561 0.96747561 0.378071 -0.191930E-02 1 0.97747561 0.96747563 0.182156 -0.191930E-02 2 0.97247562 0.96747585 0.900087E-01 -0.191930E-02 3 0.96997574 0.96747550 0.431150E-01 -0.191930E-02 4 0.96872562 0.96747568 0.201052E-01 -0.191930E-02 5 0.96810065 0.96747583 0.891275E-02 -0.191930E-02 6 0.96778824 0.96747552 0.341633E-02 -0.191930E-02 7 0.96763188 0.96747543 0.704803E-03 -0.191930E-02 8 0.96759035 0.96763188 -0.199308E-05 0.704803E-03 9 0.96759046 0.96763188 -0.244485E-07 0.704803E-03 10 0.96759046 0.96759046 0.532907E-14 -0.244485E-07 Absolute convergence of |F(X)|. Difference in EF= 0.0015627045 EF set to : 13.1647377465 new EF (no-mixing): 13.1647377465 mpr_proc= 1 myrank= 0 nprocs= 76 nkpt= 73 63) Finished k-point 64 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 42) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 39) Finished k-point 40 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 6) Finished k-point 7 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 24 40) Finished k-point 41 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 41) Finished k-point 42 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 0) Finished k-point 1 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 24 34) Finished k-point 35 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 62) Finished k-point 63 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 65) Finished k-point 66 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 35) Finished k-point 36 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 64) Finished k-point 65 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 37) Finished k-point 38 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 29) Finished k-point 30 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 38) Finished k-point 39 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 36) Finished k-point 37 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 28) Finished k-point 29 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 57) Finished k-point 58 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 56) Finished k-point 57 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 60) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 70) Finished k-point 71 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 68) Finished k-point 69 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 67) Finished k-point 68 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 9) Finished k-point 10 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 11 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 12 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 1) Finished k-point 2 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 4 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 2) Finished k-point 3 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 18 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 21 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 22 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 22) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 61) Finished k-point 62 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 32 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 32) Finished k-point 33 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 34 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 24 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 51) Finished k-point 52 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 48) Finished k-point 49 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 49) Finished k-point 50 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 50) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 54) Finished k-point 55 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 58) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 71) Finished k-point 72 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 59) Finished k-point 60 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 53) Finished k-point 54 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 8) Finished k-point 9 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 17 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 20 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 43) Finished k-point 44 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 Sum of eigenvalues= 7.04508015745417 eV Ratio to renormalize= 1.00000000000016 nargs= 1 argi=dmft2.def 16) Finished k-point number 17 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 20 10) Finished k-point number 11 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 Emin,Emax= 0.3678708171 1.3968519298 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 13.1647377465010 21) Finished k-point number 22 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 20 39) Finished k-point number 40 1 with #bands= 18 38) Finished k-point number 39 1 with #bands= 20 20) Finished k-point number 21 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 20 9) Finished k-point number 10 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 20 34) Finished k-point number 35 1 with #bands= 20 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 44) Finished k-point number 45 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 20 32) Finished k-point number 33 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 sumw= 1728.00000000000 2) Finished k-point number 3 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 20 33) Finished k-point number 34 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 20 71) Finished k-point number 72 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 20 46) Finished k-point number 47 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 18 69) Finished k-point number 70 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 20 47) Finished k-point number 48 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 18 67) Finished k-point number 68 1 with #bands= 20 66) Finished k-point number 67 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 20 6) Finished k-point number 7 1 with #bands= 20 5) Finished k-point number 6 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.923305111016552 0.920572959129391 6) Finished k-point number 7 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 39) Finished k-point number 40 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 18 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 20 7) Finished k-point number 8 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 20 9) Finished k-point number 10 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 20 10) Finished k-point number 11 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 20 65) Finished k-point number 66 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 20 2) Finished k-point number 3 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 20 12) Finished k-point number 13 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 20 70) Finished k-point number 71 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 20 17) Finished k-point number 18 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1831055 Total datasize is[MBy]= 13.91602 max_nbands= 24 nomega= 500 pr_proc= 1 nprocs= 76 EF 13.1647377465010 Density= 15.9993130485804 EF 13.4368515786146 Density= 16.3798426230858 Brent's Method Step XA XB F(XA) F(XB) 0 0.98759046 0.96759046 0.379843 -0.686951E-03 1 0.97759046 0.96759048 0.183703 -0.686951E-03 2 0.97259047 0.96759071 0.913379E-01 -0.686951E-03 3 0.97009059 0.96759036 0.444593E-01 -0.686951E-03 4 0.96884048 0.96759054 0.214712E-01 -0.686951E-03 5 0.96821551 0.96759069 0.102374E-01 -0.686951E-03 6 0.96790310 0.96759037 0.472072E-02 -0.686951E-03 7 0.96774673 0.96759077 0.199580E-02 -0.686951E-03 8 0.96766875 0.96759081 0.647855E-03 -0.686951E-03 9 0.96763101 0.96759081 0.102007E-06 -0.686951E-03 10 0.96763101 0.96759081 0.195522E-09 -0.686951E-03 11 0.96763101 0.96763101 -0.151399E-08 0.195522E-09 12 0.96763101 0.96763101 -0.151399E-08 0.195522E-09 Absolute convergence of the X interval. Difference in EF= 0.0005516417 EF set to : 13.1652893882 new EF (no-mixing): 13.1652893882 mpr_proc= 1 myrank= 0 nprocs= 76 nkpt= 73 42) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 63) Finished k-point 64 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 40) Finished k-point 41 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 39) Finished k-point 40 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 41) Finished k-point 42 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 0) Finished k-point 1 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 24 28) Finished k-point 29 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 6) Finished k-point 7 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 24 34) Finished k-point 35 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 62) Finished k-point 63 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 35) Finished k-point 36 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 65) Finished k-point 66 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 64) Finished k-point 65 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 36) Finished k-point 37 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 37) Finished k-point 38 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 38) Finished k-point 39 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 56) Finished k-point 57 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 57) Finished k-point 58 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 70) Finished k-point 71 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 1) Finished k-point 2 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 2) Finished k-point 3 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 4 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 24 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 22) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 67) Finished k-point 68 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 68) Finished k-point 69 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 9) Finished k-point 10 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 11 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 12 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 29) Finished k-point 30 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 61) Finished k-point 62 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 60) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 17) Finished k-point 18 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 21 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 22 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 32) Finished k-point 33 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 32 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 34 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 48) Finished k-point 49 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 49) Finished k-point 50 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 50) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 54) Finished k-point 55 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 51) Finished k-point 52 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 58) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 71) Finished k-point 72 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 59) Finished k-point 60 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 53) Finished k-point 54 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 8) Finished k-point 9 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 17 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 20 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 43) Finished k-point 44 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 Sum of eigenvalues= 7.02742771889987 eV Ratio to renormalize= 1.00000000009481 nargs= 1 argi=dmft2.def 17) Finished k-point number 18 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 22 Emin,Emax= 0.3678708171 1.3968519298 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 13.1652893882293 18) Finished k-point number 19 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 20 34) Finished k-point number 35 1 with #bands= 20 19) Finished k-point number 20 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 20 45) Finished k-point number 46 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 20 44) Finished k-point number 45 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 43) Finished k-point number 44 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 18 9) Finished k-point number 10 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 18 1) Finished k-point number 2 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 18 38) Finished k-point number 39 1 with #bands= 20 3) Finished k-point number 4 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 24 sumw= 1728.00000000000 58) Finished k-point number 59 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 20 48) Finished k-point number 49 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 12) Finished k-point number 13 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 20 14) Finished k-point number 15 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 20 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 20 65) Finished k-point number 66 1 with #bands= 20 69) Finished k-point number 70 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 20 67) Finished k-point number 68 1 with #bands= 20 66) Finished k-point number 67 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.923311341070384 0.920584252860285 6) Finished k-point number 7 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 18 39) Finished k-point number 40 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 18 34) Finished k-point number 35 1 with #bands= 20 4) Finished k-point number 5 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 20 7) Finished k-point number 8 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 20 9) Finished k-point number 10 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 20 65) Finished k-point number 66 1 with #bands= 20 38) Finished k-point number 39 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 20 2) Finished k-point number 3 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 20 3) Finished k-point number 4 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 20 70) Finished k-point number 71 1 with #bands= 20 12) Finished k-point number 13 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 20 68) Finished k-point number 69 1 with #bands= 20 21) Finished k-point number 22 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1831055 Total datasize is[MBy]= 13.91602 max_nbands= 24 nomega= 500 pr_proc= 1 nprocs= 76 EF 13.1652893882293 Density= 15.9997075866445 EF 13.4374032203429 Density= 16.3800536618566 Brent's Method Step XA XB F(XA) F(XB) 0 0.98763101 0.96763101 0.380054 -0.292413E-03 1 0.97763101 0.96763103 0.184132 -0.292413E-03 2 0.97263102 0.96763126 0.916208E-01 -0.292413E-03 3 0.97013114 0.96763090 0.448400E-01 -0.292413E-03 4 0.96888102 0.96763108 0.218875E-01 -0.292413E-03 5 0.96825605 0.96763123 0.106393E-01 -0.292413E-03 6 0.96794364 0.96763092 0.512312E-02 -0.292413E-03 7 0.96778728 0.96763131 0.239925E-02 -0.292413E-03 8 0.96770930 0.96763088 0.105090E-02 -0.292413E-03 9 0.96767009 0.96763109 0.376279E-03 -0.292413E-03 10 0.96765059 0.96763098 0.420390E-04 -0.292413E-03 11 0.96764812 0.96765059 -0.143262E-06 0.420390E-04 12 0.96764813 0.96765059 -0.342517E-10 0.420390E-04 Absolute convergence of |F(X)|. Difference in EF= 0.0002329888 EF set to : 13.1655223771 new EF (no-mixing): 13.1655223771 mpr_proc= 1 myrank= 0 nprocs= 76 nkpt= 73 42) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 63) Finished k-point 64 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 40) Finished k-point 41 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 39) Finished k-point 40 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 41) Finished k-point 42 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 0) Finished k-point 1 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 24 6) Finished k-point 7 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 24 34) Finished k-point 35 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 62) Finished k-point 63 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 35) Finished k-point 36 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 65) Finished k-point 66 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 36) Finished k-point 37 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 64) Finished k-point 65 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 29) Finished k-point 30 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 37) Finished k-point 38 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 38) Finished k-point 39 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 57) Finished k-point 58 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 28) Finished k-point 29 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 70) Finished k-point 71 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 1) Finished k-point 2 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 2) Finished k-point 3 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 4 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 24 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 22) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 61) Finished k-point 62 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 56) Finished k-point 57 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 60) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 67) Finished k-point 68 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 68) Finished k-point 69 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 11) Finished k-point 12 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 9) Finished k-point 10 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 11 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 18 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 22 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 21 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 32) Finished k-point 33 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 34 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 32 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 49) Finished k-point 50 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 51) Finished k-point 52 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 48) Finished k-point 49 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 50) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 54) Finished k-point 55 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 53) Finished k-point 54 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 71) Finished k-point 72 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 58) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 59) Finished k-point 60 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 8) Finished k-point 9 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 20 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 17 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 43) Finished k-point 44 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 Sum of eigenvalues= 7.01316551544730 eV Ratio to renormalize= 1.00000000000231 nargs= 1 argi=dmft2.def Emin,Emax= 0.3678708171 1.3968519298 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 13.1655223770672 23) Finished k-point number 24 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 24 sumw= 1728.00000000000 22) Finished k-point number 23 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 20 21) Finished k-point number 22 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 20 58) Finished k-point number 59 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 31) Finished k-point number 32 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 25) Finished k-point number 26 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 20 4) Finished k-point number 5 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 20 39) Finished k-point number 40 1 with #bands= 18 10) Finished k-point number 11 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 18 37) Finished k-point number 38 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 20 40) Finished k-point number 41 1 with #bands= 18 34) Finished k-point number 35 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 20 44) Finished k-point number 45 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 20 71) Finished k-point number 72 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 45) Finished k-point number 46 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 18 66) Finished k-point number 67 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 20 69) Finished k-point number 70 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 20 65) Finished k-point number 66 1 with #bands= 20 14) Finished k-point number 15 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.923299501146644 0.920626654281077 6) Finished k-point number 7 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 18 39) Finished k-point number 40 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 18 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 20 10) Finished k-point number 11 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 20 9) Finished k-point number 10 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 3) Finished k-point number 4 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 20 12) Finished k-point number 13 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 14) Finished k-point number 15 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 20 13) Finished k-point number 14 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 20 23) Finished k-point number 24 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1831055 Total datasize is[MBy]= 13.91602 max_nbands= 24 nomega= 500 pr_proc= 1 nprocs= 76 EF 13.1655223770672 Density= 15.9998011209487 EF 13.4376362091807 Density= 16.3802840587577 Brent's Method Step XA XB F(XA) F(XB) 0 0.98764813 0.96764813 0.380284 -0.198879E-03 1 0.97764813 0.96764815 0.184296 -0.198879E-03 2 0.97264814 0.96764838 0.917073E-01 -0.198879E-03 3 0.97014826 0.96764850 0.449566E-01 -0.198879E-03 4 0.96889838 0.96764820 0.220036E-01 -0.198879E-03 5 0.96827329 0.96764812 0.107406E-01 -0.198879E-03 6 0.96796070 0.96764816 0.521855E-02 -0.198879E-03 7 0.96780443 0.96764838 0.249530E-02 -0.198879E-03 8 0.96772640 0.96764803 0.114564E-02 -0.198879E-03 9 0.96768722 0.96764820 0.470991E-03 -0.198879E-03 10 0.96766771 0.96764812 0.136191E-03 -0.198879E-03 11 0.96765974 0.96766771 -0.277320E-06 0.136191E-03 12 0.96765976 0.96766771 -0.167109E-09 0.136191E-03 13 0.96765976 0.96765976 0.154415E-08 -0.167109E-09 14 0.96765976 0.96765976 0.154415E-08 -0.167109E-09 Absolute convergence of the X interval. Difference in EF= 0.0001582016 EF set to : 13.1656805787 new EF (no-mixing): 13.1656805787 mpr_proc= 1 myrank= 0 nprocs= 76 nkpt= 73 42) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 63) Finished k-point 64 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 40) Finished k-point 41 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 41) Finished k-point 42 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 6) Finished k-point 7 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 24 39) Finished k-point 40 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 0) Finished k-point 1 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 24 34) Finished k-point 35 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 62) Finished k-point 63 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 35) Finished k-point 36 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 28) Finished k-point 29 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 29) Finished k-point 30 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 37) Finished k-point 38 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 65) Finished k-point 66 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 64) Finished k-point 65 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 38) Finished k-point 39 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 36) Finished k-point 37 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 56) Finished k-point 57 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 57) Finished k-point 58 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 60) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 61) Finished k-point 62 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 70) Finished k-point 71 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 68) Finished k-point 69 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 67) Finished k-point 68 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 11) Finished k-point 12 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 11 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 9) Finished k-point 10 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 1) Finished k-point 2 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 2) Finished k-point 3 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 4 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 18 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 24 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 22) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 32 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 21 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 34 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 22 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 32) Finished k-point 33 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 49) Finished k-point 50 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 48) Finished k-point 49 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 50) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 51) Finished k-point 52 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 59) Finished k-point 60 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 58) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 71) Finished k-point 72 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 54) Finished k-point 55 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 53) Finished k-point 54 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 8) Finished k-point 9 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 20 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 17 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 43) Finished k-point 44 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 Sum of eigenvalues= 6.98500886217567 eV Ratio to renormalize= 0.999999999903645 nargs= 1 argi=dmft2.def Emin,Emax= 0.3678708171 1.3968519298 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 13.1656805786508 24) Finished k-point number 25 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 sumw= 1728.00000000000 3) Finished k-point number 4 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 20 20) Finished k-point number 21 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 20 21) Finished k-point number 22 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 20 39) Finished k-point number 40 1 with #bands= 18 42) Finished k-point number 43 1 with #bands= 18 43) Finished k-point number 44 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 18 30) Finished k-point number 31 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 18 16) Finished k-point number 17 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 20 47) Finished k-point number 48 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 23) Finished k-point number 24 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 20 58) Finished k-point number 59 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 18 64) Finished k-point number 65 1 with #bands= 20 7) Finished k-point number 8 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 20 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 20 65) Finished k-point number 66 1 with #bands= 20 69) Finished k-point number 70 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 20 66) Finished k-point number 67 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.923338298572075 0.920613263307358 6) Finished k-point number 7 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 39) Finished k-point number 40 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 18 4) Finished k-point number 5 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 7) Finished k-point number 8 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 20 10) Finished k-point number 11 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 20 11) Finished k-point number 12 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 20 65) Finished k-point number 66 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 20 38) Finished k-point number 39 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 20 2) Finished k-point number 3 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 70) Finished k-point number 71 1 with #bands= 20 12) Finished k-point number 13 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 20 21) Finished k-point number 22 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 20 15) Finished k-point number 16 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1831055 Total datasize is[MBy]= 13.91602 max_nbands= 24 nomega= 500 pr_proc= 1 nprocs= 76 EF 13.1656805786508 Density= 15.9999522849808 EF 13.4377944107644 Density= 16.3803675795075 Brent's Method Step XA XB F(XA) F(XB) 0 0.98765976 0.96765976 0.380368 -0.477149E-04 1 0.97765976 0.96765978 0.184468 -0.477149E-04 2 0.97265977 0.96765953 0.918241E-01 -0.477149E-04 3 0.97015965 0.96765966 0.450765E-01 -0.477149E-04 4 0.96890965 0.96765959 0.221389E-01 -0.477149E-04 5 0.96828462 0.96765986 0.108788E-01 -0.477149E-04 6 0.96797224 0.96765949 0.536399E-02 -0.477149E-04 7 0.96781587 0.96765991 0.264123E-02 -0.477149E-04 8 0.96773789 0.96765994 0.129366E-02 -0.477149E-04 9 0.96769892 0.96765969 0.623160E-03 -0.477149E-04 10 0.96767930 0.96765982 0.286709E-03 -0.477149E-04 11 0.96766956 0.96765975 0.119850E-03 -0.477149E-04 12 0.96766466 0.96765955 0.359643E-04 -0.477149E-04 13 0.96766246 0.96766466 -0.156502E-05 0.359643E-04 14 0.96766255 0.96766466 -0.246869E-09 0.359643E-04 15 0.96766255 0.96766255 0.146299E-08 -0.246869E-09 16 0.96766255 0.96766255 0.146299E-08 -0.246869E-09 Absolute convergence of the X interval. Difference in EF= 0.0000379815 EF set to : 13.1657185601 new EF (no-mixing): 13.1657185601 mpr_proc= 1 myrank= 0 nprocs= 76 nkpt= 73 42) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 63) Finished k-point 64 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 39) Finished k-point 40 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 40) Finished k-point 41 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 41) Finished k-point 42 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 6) Finished k-point 7 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 24 0) Finished k-point 1 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 24 62) Finished k-point 63 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 34) Finished k-point 35 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 35) Finished k-point 36 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 65) Finished k-point 66 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 28) Finished k-point 29 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 64) Finished k-point 65 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 29) Finished k-point 30 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 37) Finished k-point 38 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 38) Finished k-point 39 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 56) Finished k-point 57 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 57) Finished k-point 58 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 70) Finished k-point 71 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 68) Finished k-point 69 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 67) Finished k-point 68 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 10) Finished k-point 11 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 9) Finished k-point 10 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 12 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 1) Finished k-point 2 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 2) Finished k-point 3 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 4 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 24 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 22) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 18 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 36) Finished k-point 37 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 60) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 61) Finished k-point 62 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 21) Finished k-point 22 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 21 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 32 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 32) Finished k-point 33 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 34 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 51) Finished k-point 52 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 50) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 49) Finished k-point 50 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 48) Finished k-point 49 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 58) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 53) Finished k-point 54 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 54) Finished k-point 55 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 59) Finished k-point 60 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 71) Finished k-point 72 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 8) Finished k-point 9 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 17 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 20 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 43) Finished k-point 44 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 Sum of eigenvalues= 6.97061977469155 eV Ratio to renormalize= 0.999999999908752 nargs= 1 argi=dmft2.def Emin,Emax= 0.3678708171 1.3968519298 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 13.1657185601231 19) Finished k-point number 20 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 sumw= 1728.00000000000 27) Finished k-point number 28 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 18 36) Finished k-point number 37 1 with #bands= 20 38) Finished k-point number 39 1 with #bands= 20 2) Finished k-point number 3 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 18 37) Finished k-point number 38 1 with #bands= 20 17) Finished k-point number 18 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 18 43) Finished k-point number 44 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 20 8) Finished k-point number 9 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 20 4) Finished k-point number 5 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 58) Finished k-point number 59 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 20 22) Finished k-point number 23 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 18 31) Finished k-point number 32 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 20 33) Finished k-point number 34 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 20 34) Finished k-point number 35 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 20 12) Finished k-point number 13 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 65) Finished k-point number 66 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 20 69) Finished k-point number 70 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 20 67) Finished k-point number 68 1 with #bands= 20 66) Finished k-point number 67 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.923290285263601 0.920684150936875 6) Finished k-point number 7 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 39) Finished k-point number 40 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 18 4) Finished k-point number 5 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 5) Finished k-point number 6 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 20 10) Finished k-point number 11 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 20 9) Finished k-point number 10 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 20 11) Finished k-point number 12 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 20 38) Finished k-point number 39 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 20 3) Finished k-point number 4 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 20 70) Finished k-point number 71 1 with #bands= 20 68) Finished k-point number 69 1 with #bands= 20 12) Finished k-point number 13 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 20 13) Finished k-point number 14 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1831055 Total datasize is[MBy]= 13.91602 max_nbands= 24 nomega= 500 pr_proc= 1 nprocs= 76 EF 13.1657185601231 Density= 16.0005643503409 EF 12.8936047280096 Density= 15.6016349979322 Brent's Method Step XA XB F(XA) F(XB) 0 0.96766255 0.94766255 0.564350E-03 -0.398365 1 0.96763426 0.94766255 0.812049E-04 -0.398365 2 0.96762950 0.94766255 0.319424E-06 -0.398365 3 0.96762949 0.94766255 0.228399E-09 -0.398365 4 0.96762949 0.96762949 -0.147181E-08 0.228399E-09 5 0.96762949 0.96762949 -0.147181E-08 0.228399E-09 Absolute convergence of the X interval. Difference in EF= -0.0004498934 EF set to : 13.1652686667 new EF (no-mixing): 13.1652686667 mpr_proc= 1 myrank= 0 nprocs= 76 nkpt= 73 42) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 63) Finished k-point 64 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 39) Finished k-point 40 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 40) Finished k-point 41 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 6) Finished k-point 7 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 24 41) Finished k-point 42 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 0) Finished k-point 1 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 24 62) Finished k-point 63 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 34) Finished k-point 35 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 35) Finished k-point 36 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 65) Finished k-point 66 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 64) Finished k-point 65 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 29) Finished k-point 30 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 28) Finished k-point 29 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 37) Finished k-point 38 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 38) Finished k-point 39 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 57) Finished k-point 58 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 56) Finished k-point 57 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 70) Finished k-point 71 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 4 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 2) Finished k-point 3 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 1) Finished k-point 2 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 24 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 32 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 22) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 67) Finished k-point 68 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 9) Finished k-point 10 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 12 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 11 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 68) Finished k-point 69 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 17) Finished k-point 18 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 36) Finished k-point 37 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 60) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 61) Finished k-point 62 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 20) Finished k-point 21 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 32) Finished k-point 33 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 22 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 34 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 50) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 48) Finished k-point 49 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 51) Finished k-point 52 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 49) Finished k-point 50 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 58) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 54) Finished k-point 55 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 71) Finished k-point 72 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 53) Finished k-point 54 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 59) Finished k-point 60 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 8) Finished k-point 9 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 20 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 17 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 43) Finished k-point 44 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 Sum of eigenvalues= 6.94052716331426 eV Ratio to renormalize= 1.00000000009218 nargs= 1 argi=dmft2.def Emin,Emax= 0.3678708171 1.3968519298 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 13.1652686667416 2) Finished k-point number 3 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 20 31) Finished k-point number 32 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 20 30) Finished k-point number 31 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 24 sumw= 1728.00000000000 18) Finished k-point number 19 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 18 38) Finished k-point number 39 1 with #bands= 20 39) Finished k-point number 40 1 with #bands= 18 8) Finished k-point number 9 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 20 44) Finished k-point number 45 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 41) Finished k-point number 42 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 18 20) Finished k-point number 21 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 20 11) Finished k-point number 12 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 18 57) Finished k-point number 58 1 with #bands= 20 71) Finished k-point number 72 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 20 65) Finished k-point number 66 1 with #bands= 20 66) Finished k-point number 67 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 20 69) Finished k-point number 70 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.923390802090381 0.920612714796809 6) Finished k-point number 7 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 39) Finished k-point number 40 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 18 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 20 9) Finished k-point number 10 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 20 38) Finished k-point number 39 1 with #bands= 20 10) Finished k-point number 11 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 20 65) Finished k-point number 66 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 20 11) Finished k-point number 12 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 20 3) Finished k-point number 4 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 20 2) Finished k-point number 3 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 12) Finished k-point number 13 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 20 67) Finished k-point number 68 1 with #bands= 20 23) Finished k-point number 24 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1831055 Total datasize is[MBy]= 13.91602 max_nbands= 24 nomega= 500 pr_proc= 1 nprocs= 76 EF 13.1652686667416 Density= 16.0007467959175 EF 12.8931548346280 Density= 15.6018426417361 Brent's Method Step XA XB F(XA) F(XB) 0 0.96762949 0.94762949 0.746796E-03 -0.398157 1 0.96759204 0.94762949 0.119086E-03 -0.398157 2 0.96758494 0.94762949 0.156574E-05 -0.398157 3 0.96758485 0.94762949 0.406187E-08 -0.398157 4 0.96758485 0.94762949 0.467182E-12 -0.398157 Absolute convergence of |F(X)|. Difference in EF= -0.0006073376 EF set to : 13.1646613291 new EF (no-mixing): 13.1646613291 mpr_proc= 1 myrank= 0 nprocs= 76 nkpt= 73 42) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 63) Finished k-point 64 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 39) Finished k-point 40 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 41) Finished k-point 42 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 40) Finished k-point 41 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 0) Finished k-point 1 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 24 28) Finished k-point 29 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 29) Finished k-point 30 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 37) Finished k-point 38 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 6) Finished k-point 7 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 24 34) Finished k-point 35 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 62) Finished k-point 63 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 65) Finished k-point 66 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 35) Finished k-point 36 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 38) Finished k-point 39 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 64) Finished k-point 65 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 36) Finished k-point 37 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 57) Finished k-point 58 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 56) Finished k-point 57 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 61) Finished k-point 62 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 60) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 70) Finished k-point 71 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 68) Finished k-point 69 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 67) Finished k-point 68 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 9) Finished k-point 10 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 11 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 12 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 1) Finished k-point 2 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 4 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 2) Finished k-point 3 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 22) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 24 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 21 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 18 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 32 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 22 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 32) Finished k-point 33 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 34 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 48) Finished k-point 49 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 50) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 51) Finished k-point 52 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 59) Finished k-point 60 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 49) Finished k-point 50 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 54) Finished k-point 55 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 71) Finished k-point 72 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 53) Finished k-point 54 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 58) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 8) Finished k-point 9 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 20 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 17 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 43) Finished k-point 44 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 Sum of eigenvalues= 6.93513249099059 eV Ratio to renormalize= 1.00000000000014 nargs= 1 argi=dmft2.def Emin,Emax= 0.3678708171 1.3968519298 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 13.1646613290986 21) Finished k-point number 22 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 20 7) Finished k-point number 8 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 20 5) Finished k-point number 6 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 20 39) Finished k-point number 40 1 with #bands= 18 30) Finished k-point number 31 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 20 34) Finished k-point number 35 1 with #bands= 20 sumw= 1728.00000000000 19) Finished k-point number 20 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 20 14) Finished k-point number 15 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 20 15) Finished k-point number 16 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 18 52) Finished k-point number 53 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 50) Finished k-point number 51 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 59) Finished k-point number 60 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 18 64) Finished k-point number 65 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 20 65) Finished k-point number 66 1 with #bands= 20 66) Finished k-point number 67 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 20 69) Finished k-point number 70 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.923407720600913 0.920609686682492 6) Finished k-point number 7 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 39) Finished k-point number 40 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 18 34) Finished k-point number 35 1 with #bands= 20 5) Finished k-point number 6 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 20 38) Finished k-point number 39 1 with #bands= 20 9) Finished k-point number 10 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 20 11) Finished k-point number 12 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 20 2) Finished k-point number 3 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 20 12) Finished k-point number 13 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 13) Finished k-point number 14 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 20 14) Finished k-point number 15 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 20 23) Finished k-point number 24 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1831055 Total datasize is[MBy]= 13.91602 max_nbands= 24 nomega= 500 pr_proc= 1 nprocs= 76 EF 13.1646613290986 Density= 15.9989372296960 EF 13.4367751612122 Density= 16.3788770173440 Brent's Method Step XA XB F(XA) F(XB) 0 0.98758485 0.96758485 0.378877 -0.106277E-02 1 0.97758485 0.96758487 0.183309 -0.106277E-02 2 0.97258486 0.96758462 0.906879E-01 -0.106277E-02 3 0.97008474 0.96758474 0.440056E-01 -0.106277E-02 4 0.96883474 0.96758468 0.210255E-01 -0.106277E-02 5 0.96820971 0.96758495 0.979645E-02 -0.106277E-02 6 0.96789733 0.96758505 0.430490E-02 -0.106277E-02 7 0.96774119 0.96758500 0.159976E-02 -0.106277E-02 8 0.96766310 0.96758479 0.259413E-03 -0.106277E-02 9 0.96764782 0.96766310 -0.130056E-05 0.259413E-03 10 0.96764789 0.96766310 -0.178026E-08 0.259413E-03 11 0.96764789 0.96764789 0.294875E-12 -0.178026E-08 Absolute convergence of |F(X)|. Difference in EF= 0.0008577652 EF set to : 13.1655190943 new EF (no-mixing): 13.1655190943 mpr_proc= 1 myrank= 0 nprocs= 76 nkpt= 73 42) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 63) Finished k-point 64 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 39) Finished k-point 40 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 40) Finished k-point 41 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 41) Finished k-point 42 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 0) Finished k-point 1 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 24 6) Finished k-point 7 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 24 34) Finished k-point 35 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 62) Finished k-point 63 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 65) Finished k-point 66 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 64) Finished k-point 65 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 29) Finished k-point 30 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 36) Finished k-point 37 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 28) Finished k-point 29 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 38) Finished k-point 39 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 35) Finished k-point 36 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 37) Finished k-point 38 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 56) Finished k-point 57 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 57) Finished k-point 58 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 60) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 70) Finished k-point 71 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 67) Finished k-point 68 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 68) Finished k-point 69 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 9) Finished k-point 10 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 12 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 11 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 4 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 2) Finished k-point 3 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 1) Finished k-point 2 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 22) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 18 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 24 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 61) Finished k-point 62 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 20) Finished k-point 21 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 22 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 32 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 32) Finished k-point 33 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 34 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 51) Finished k-point 52 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 49) Finished k-point 50 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 48) Finished k-point 49 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 50) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 53) Finished k-point 54 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 58) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 54) Finished k-point 55 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 71) Finished k-point 72 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 8) Finished k-point 9 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 59) Finished k-point 60 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 20 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 17 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 43) Finished k-point 44 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 Sum of eigenvalues= 6.92954154596731 eV Ratio to renormalize= 1.00000000000017 nargs= 1 argi=dmft2.def Emin,Emax= 0.3678708171 1.3968519298 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 13.1655190943214 35) Finished k-point number 36 1 with #bands= 20 21) Finished k-point number 22 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 20 17) Finished k-point number 18 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 20 20) Finished k-point number 21 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 sumw= 1728.00000000000 39) Finished k-point number 40 1 with #bands= 18 33) Finished k-point number 34 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 20 6) Finished k-point number 7 1 with #bands= 20 41) Finished k-point number 42 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 18 2) Finished k-point number 3 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 18 37) Finished k-point number 38 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 48) Finished k-point number 49 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 15) Finished k-point number 16 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 20 30) Finished k-point number 31 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 18 58) Finished k-point number 59 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 20 67) Finished k-point number 68 1 with #bands= 20 59) Finished k-point number 60 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.923342978444795 0.920669582337181 6) Finished k-point number 7 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 18 39) Finished k-point number 40 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 18 4) Finished k-point number 5 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 20 65) Finished k-point number 66 1 with #bands= 20 10) Finished k-point number 11 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 3) Finished k-point number 4 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 20 2) Finished k-point number 3 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 20 70) Finished k-point number 71 1 with #bands= 20 12) Finished k-point number 13 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 20 14) Finished k-point number 15 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1831055 Total datasize is[MBy]= 13.91602 max_nbands= 24 nomega= 500 pr_proc= 1 nprocs= 76 EF 13.1655190943214 Density= 16.0007966893306 EF 12.8934052622078 Density= 15.6017616837244 Brent's Method Step XA XB F(XA) F(XB) 0 0.96764789 0.94764789 0.796689E-03 -0.398238 1 0.96760796 0.94764789 0.121886E-03 -0.398238 2 0.96760075 0.94764789 0.117206E-05 -0.398238 3 0.96760068 0.94764789 0.245319E-08 -0.398238 4 0.96760068 0.96760068 -0.300204E-12 0.245319E-08 Absolute convergence of |F(X)|. Difference in EF= -0.0006423415 EF set to : 13.1648767528 new EF (no-mixing): 13.1648767528 mpr_proc= 1 myrank= 0 nprocs= 76 nkpt= 73 42) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 63) Finished k-point 64 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 39) Finished k-point 40 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 40) Finished k-point 41 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 41) Finished k-point 42 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 0) Finished k-point 1 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 24 6) Finished k-point 7 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 24 62) Finished k-point 63 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 34) Finished k-point 35 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 65) Finished k-point 66 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 35) Finished k-point 36 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 64) Finished k-point 65 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 37) Finished k-point 38 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 28) Finished k-point 29 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 36) Finished k-point 37 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 29) Finished k-point 30 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 38) Finished k-point 39 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 56) Finished k-point 57 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 70) Finished k-point 71 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 1) Finished k-point 2 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 4 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 2) Finished k-point 3 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 22) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 24 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 57) Finished k-point 58 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 60) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 61) Finished k-point 62 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 68) Finished k-point 69 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 10) Finished k-point 11 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 9) Finished k-point 10 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 67) Finished k-point 68 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 11) Finished k-point 12 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 18 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 22 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 21 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 32 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 32) Finished k-point 33 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 51) Finished k-point 52 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 50) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 58) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 59) Finished k-point 60 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 54) Finished k-point 55 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 53) Finished k-point 54 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 71) Finished k-point 72 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 34 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 48) Finished k-point 49 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 49) Finished k-point 50 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 8) Finished k-point 9 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 17 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 20 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 43) Finished k-point 44 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 Sum of eigenvalues= 6.91808014629401 eV Ratio to renormalize= 1.00000000000019 nargs= 1 argi=dmft2.def 16) Finished k-point number 17 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 18 49) Finished k-point number 50 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 20 59) Finished k-point number 60 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 20 15) Finished k-point number 16 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 22 Emin,Emax= 0.3678708171 1.3968519298 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 22) Finished k-point number 23 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 Found EF.dat and EF is 13.1648767527914 2) Finished k-point number 3 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 18 31) Finished k-point number 32 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 20 7) Finished k-point number 8 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 20 30) Finished k-point number 31 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 20 4) Finished k-point number 5 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 18 sumw= 1728.00000000000 47) Finished k-point number 48 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 20 66) Finished k-point number 67 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 20 46) Finished k-point number 47 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 18 65) Finished k-point number 66 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 20 71) Finished k-point number 72 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 67) Finished k-point number 68 1 with #bands= 20 69) Finished k-point number 70 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.923337429263518 0.920659311979442 6) Finished k-point number 7 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 18 39) Finished k-point number 40 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 18 5) Finished k-point number 6 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 7) Finished k-point number 8 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 20 10) Finished k-point number 11 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 20 11) Finished k-point number 12 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 20 38) Finished k-point number 39 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 20 3) Finished k-point number 4 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 20 67) Finished k-point number 68 1 with #bands= 20 12) Finished k-point number 13 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 20 17) Finished k-point number 18 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 20 22) Finished k-point number 23 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1831055 Total datasize is[MBy]= 13.91602 max_nbands= 24 nomega= 500 pr_proc= 1 nprocs= 76 EF 13.1648767527914 Density= 15.9991141115777 EF 13.4369905849050 Density= 16.3788946733962 Brent's Method Step XA XB F(XA) F(XB) 0 0.98760068 0.96760068 0.378895 -0.885888E-03 1 0.97760068 0.96760070 0.183480 -0.885888E-03 2 0.97260069 0.96760045 0.907389E-01 -0.885888E-03 3 0.97010057 0.96760058 0.441352E-01 -0.885888E-03 4 0.96885057 0.96760051 0.211871E-01 -0.885888E-03 5 0.96822554 0.96760078 0.996711E-02 -0.885888E-03 6 0.96791316 0.96760041 0.448345E-02 -0.885888E-03 7 0.96775679 0.96760036 0.177720E-02 -0.885888E-03 8 0.96767857 0.96760038 0.435100E-03 -0.885888E-03 9 0.96765295 0.96767857 -0.199514E-05 0.435100E-03 10 0.96765307 0.96767857 -0.390344E-08 0.435100E-03 11 0.96765307 0.96765307 0.238032E-12 -0.390344E-08 Absolute convergence of |F(X)|. Difference in EF= 0.0007128040 EF set to : 13.1655895568 new EF (no-mixing): 13.1655895568 mpr_proc= 1 myrank= 0 nprocs= 76 nkpt= 73 42) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 63) Finished k-point 64 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 40) Finished k-point 41 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 39) Finished k-point 40 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 6) Finished k-point 7 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 24 41) Finished k-point 42 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 0) Finished k-point 1 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 24 62) Finished k-point 63 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 34) Finished k-point 35 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 28) Finished k-point 29 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 35) Finished k-point 36 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 64) Finished k-point 65 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 65) Finished k-point 66 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 29) Finished k-point 30 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 37) Finished k-point 38 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 38) Finished k-point 39 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 57) Finished k-point 58 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 56) Finished k-point 57 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 70) Finished k-point 71 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 1) Finished k-point 2 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 4 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 2) Finished k-point 3 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 22) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 24 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 67) Finished k-point 68 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 68) Finished k-point 69 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 10) Finished k-point 11 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 9) Finished k-point 10 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 12 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 18 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 36) Finished k-point 37 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 60) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 61) Finished k-point 62 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 20) Finished k-point 21 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 32 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 32) Finished k-point 33 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 22 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 50) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 51) Finished k-point 52 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 71) Finished k-point 72 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 58) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 54) Finished k-point 55 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 53) Finished k-point 54 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 59) Finished k-point 60 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 34 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 48) Finished k-point 49 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 49) Finished k-point 50 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 8) Finished k-point 9 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 20 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 17 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 43) Finished k-point 44 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 Sum of eigenvalues= 6.93117422599447 eV Ratio to renormalize= 1.00000000000016 nargs= 1 argi=dmft2.def Emin,Emax= 0.3678708171 1.3968519298 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 13.1655895568282 17) Finished k-point number 18 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 sumw= 1728.00000000000 19) Finished k-point number 20 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 20 5) Finished k-point number 6 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 7) Finished k-point number 8 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 20 3) Finished k-point number 4 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 20 39) Finished k-point number 40 1 with #bands= 18 42) Finished k-point number 43 1 with #bands= 18 43) Finished k-point number 44 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 20 41) Finished k-point number 42 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 18 52) Finished k-point number 53 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 20 44) Finished k-point number 45 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 18 71) Finished k-point number 72 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 10) Finished k-point number 11 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 20 67) Finished k-point number 68 1 with #bands= 20 66) Finished k-point number 67 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 20 58) Finished k-point number 59 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 20 69) Finished k-point number 70 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.923410761185428 0.920617941178680 6) Finished k-point number 7 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 18 39) Finished k-point number 40 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 18 4) Finished k-point number 5 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 20 34) Finished k-point number 35 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 20 38) Finished k-point number 39 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 20 2) Finished k-point number 3 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 20 65) Finished k-point number 66 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 12) Finished k-point number 13 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 14) Finished k-point number 15 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 20 23) Finished k-point number 24 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 20 32) Finished k-point number 33 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1831055 Total datasize is[MBy]= 13.91602 max_nbands= 24 nomega= 500 pr_proc= 1 nprocs= 76 EF 13.1655895568282 Density= 16.0003634486141 EF 12.8934757247146 Density= 15.6011170145993 Brent's Method Step XA XB F(XA) F(XB) 0 0.96765307 0.94765307 0.363449E-03 -0.398883 1 0.96763486 0.94765307 0.540812E-04 -0.398883 2 0.96763168 0.94765307 0.142013E-06 -0.398883 3 0.96763167 0.94765307 0.644764E-10 -0.398883 Absolute convergence of |F(X)|. Difference in EF= -0.0002911270 EF set to : 13.1652984299 new EF (no-mixing): 13.1652984299 mpr_proc= 1 myrank= 0 nprocs= 76 nkpt= 73 42) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 63) Finished k-point 64 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 39) Finished k-point 40 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 41) Finished k-point 42 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 40) Finished k-point 41 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 0) Finished k-point 1 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 24 6) Finished k-point 7 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 24 62) Finished k-point 63 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 34) Finished k-point 35 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 35) Finished k-point 36 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 28) Finished k-point 29 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 64) Finished k-point 65 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 36) Finished k-point 37 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 65) Finished k-point 66 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 29) Finished k-point 30 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 38) Finished k-point 39 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 37) Finished k-point 38 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 56) Finished k-point 57 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 57) Finished k-point 58 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 61) Finished k-point 62 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 60) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 70) Finished k-point 71 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 68) Finished k-point 69 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 67) Finished k-point 68 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 9) Finished k-point 10 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 11 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 12 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 1) Finished k-point 2 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 4 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 2) Finished k-point 3 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 18 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 24 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 22) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 22 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 32) Finished k-point 33 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 21 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 32 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 51) Finished k-point 52 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 50) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 58) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 53) Finished k-point 54 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 59) Finished k-point 60 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 71) Finished k-point 72 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 54) Finished k-point 55 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 34 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 49) Finished k-point 50 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 48) Finished k-point 49 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 8) Finished k-point 9 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 17 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 20 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 43) Finished k-point 44 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 Sum of eigenvalues= 6.92002956024776 eV Ratio to renormalize= 0.999999999996160 nargs= 1 argi=dmft2.def Emin,Emax= 0.3678708171 1.3968519298 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 13.1652984298738 18) Finished k-point number 19 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 sumw= 1728.00000000000 5) Finished k-point number 6 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 20 21) Finished k-point number 22 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 20 20) Finished k-point number 21 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 20 6) Finished k-point number 7 1 with #bands= 20 25) Finished k-point number 26 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 20 11) Finished k-point number 12 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 18 50) Finished k-point number 51 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 18 22) Finished k-point number 23 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 20 30) Finished k-point number 31 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 18 60) Finished k-point number 61 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 20 71) Finished k-point number 72 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 18 52) Finished k-point number 53 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 20 68) Finished k-point number 69 1 with #bands= 20 66) Finished k-point number 67 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 20 14) Finished k-point number 15 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.923373236756821 0.920654475172625 6) Finished k-point number 7 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 39) Finished k-point number 40 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 18 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 20 38) Finished k-point number 39 1 with #bands= 20 9) Finished k-point number 10 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 20 11) Finished k-point number 12 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 20 2) Finished k-point number 3 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 20 70) Finished k-point number 71 1 with #bands= 20 3) Finished k-point number 4 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 20 17) Finished k-point number 18 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1831055 Total datasize is[MBy]= 13.91602 max_nbands= 24 nomega= 500 pr_proc= 1 nprocs= 76 EF 13.1652984298738 Density= 16.0001522507935 EF 12.8931845977602 Density= 15.6009126782375 Brent's Method Step XA XB F(XA) F(XB) 0 0.96763167 0.94763167 0.152251E-03 -0.399087 1 0.96762405 0.94763167 0.232879E-04 -0.399087 2 0.96762267 0.94763167 0.342472E-07 -0.399087 3 0.96762267 0.94763167 0.951772E-11 -0.399087 Absolute convergence of |F(X)|. Difference in EF= -0.0001225365 EF set to : 13.1651758933 new EF (no-mixing): 13.1651758933 mpr_proc= 1 myrank= 0 nprocs= 76 nkpt= 73 42) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 63) Finished k-point 64 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 40) Finished k-point 41 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 39) Finished k-point 40 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 6) Finished k-point 7 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 24 41) Finished k-point 42 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 0) Finished k-point 1 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 24 34) Finished k-point 35 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 62) Finished k-point 63 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 65) Finished k-point 66 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 38) Finished k-point 39 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 28) Finished k-point 29 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 35) Finished k-point 36 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 29) Finished k-point 30 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 64) Finished k-point 65 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 37) Finished k-point 38 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 36) Finished k-point 37 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 56) Finished k-point 57 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 70) Finished k-point 71 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 1) Finished k-point 2 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 4 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 2) Finished k-point 3 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 57) Finished k-point 58 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 60) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 68) Finished k-point 69 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 67) Finished k-point 68 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 9) Finished k-point 10 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 12 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 11 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 18 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 61) Finished k-point 62 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 20) Finished k-point 21 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 24 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 22 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 22) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 32) Finished k-point 33 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 34 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 32 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 49) Finished k-point 50 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 48) Finished k-point 49 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 51) Finished k-point 52 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 50) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 58) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 71) Finished k-point 72 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 53) Finished k-point 54 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 54) Finished k-point 55 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 8) Finished k-point 9 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 17 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 59) Finished k-point 60 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 20 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 43) Finished k-point 44 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 Sum of eigenvalues= 6.91255507774600 eV Ratio to renormalize= 0.999999999999658 nargs= 1 argi=dmft2.def 40) Finished k-point number 41 1 with #bands= 18 19) Finished k-point number 20 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 18 57) Finished k-point number 58 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 52) Finished k-point number 53 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 20 10) Finished k-point number 11 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 20 45) Finished k-point number 46 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 20 33) Finished k-point number 34 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 6) Finished k-point number 7 1 with #bands= 20 5) Finished k-point number 6 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 20 23) Finished k-point number 24 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 20 38) Finished k-point number 39 1 with #bands= 20 39) Finished k-point number 40 1 with #bands= 18 4) Finished k-point number 5 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 Emin,Emax= 0.3678708171 1.3968519298 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 31) Finished k-point number 32 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 22 Found EF.dat and EF is 13.1651758933297 65) Finished k-point number 66 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 20 68) Finished k-point number 69 1 with #bands= 20 69) Finished k-point number 70 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 20 66) Finished k-point number 67 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 20 sumw= 1728.00000000000 63) Finished k-point number 64 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.923423183794444 0.920615995326631 6) Finished k-point number 7 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 18 39) Finished k-point number 40 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 18 5) Finished k-point number 6 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 4) Finished k-point number 5 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 20 11) Finished k-point number 12 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 20 10) Finished k-point number 11 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 20 9) Finished k-point number 10 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 3) Finished k-point number 4 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 20 2) Finished k-point number 3 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 20 14) Finished k-point number 15 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 20 20) Finished k-point number 21 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1831055 Total datasize is[MBy]= 13.91602 max_nbands= 24 nomega= 500 pr_proc= 1 nprocs= 76 EF 13.1651758933297 Density= 15.9997433198609 EF 13.4372897254433 Density= 16.3797747836852 Brent's Method Step XA XB F(XA) F(XB) 0 0.98762267 0.96762267 0.379775 -0.256680E-03 1 0.97762267 0.96762269 0.184263 -0.256680E-03 2 0.97262268 0.96762244 0.914234E-01 -0.256680E-03 3 0.97012256 0.96762256 0.447998E-01 -0.256680E-03 4 0.96887256 0.96762250 0.218758E-01 -0.256680E-03 5 0.96824753 0.96762229 0.106254E-01 -0.256680E-03 6 0.96793491 0.96762240 0.512369E-02 -0.256680E-03 7 0.96777865 0.96762258 0.241384E-02 -0.256680E-03 8 0.96770062 0.96762273 0.107176E-02 -0.256680E-03 9 0.96766167 0.96762242 0.405905E-03 -0.256680E-03 10 0.96764204 0.96762257 0.717677E-04 -0.256680E-03 11 0.96763782 0.96764204 -0.166197E-07 0.717677E-04 12 0.96763782 0.96764204 -0.786571E-11 0.717677E-04 Absolute convergence of |F(X)|. Difference in EF= 0.0002061543 EF set to : 13.1653820476 new EF (no-mixing): 13.1653820476 mpr_proc= 1 myrank= 0 nprocs= 76 nkpt= 73 42) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 40) Finished k-point 41 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 39) Finished k-point 40 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 6) Finished k-point 7 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 24 41) Finished k-point 42 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 0) Finished k-point 1 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 24 63) Finished k-point 64 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 62) Finished k-point 63 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 34) Finished k-point 35 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 35) Finished k-point 36 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 36) Finished k-point 37 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 29) Finished k-point 30 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 37) Finished k-point 38 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 28) Finished k-point 29 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 56) Finished k-point 57 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 57) Finished k-point 58 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 61) Finished k-point 62 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 60) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 64) Finished k-point 65 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 65) Finished k-point 66 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 38) Finished k-point 39 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 70) Finished k-point 71 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 68) Finished k-point 69 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 67) Finished k-point 68 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 9) Finished k-point 10 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 12 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 11 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 1) Finished k-point 2 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 4 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 2) Finished k-point 3 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 18 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 21 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 24 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 22) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 32) Finished k-point 33 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 22 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 32 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 34 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 51) Finished k-point 52 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 49) Finished k-point 50 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 50) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 48) Finished k-point 49 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 54) Finished k-point 55 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 53) Finished k-point 54 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 59) Finished k-point 60 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 58) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 71) Finished k-point 72 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 8) Finished k-point 9 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 20 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 17 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 43) Finished k-point 44 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 Sum of eigenvalues= 6.91399267994658 eV Ratio to renormalize= 1.00000000000068 nargs= 1 argi=dmft2.def Emin,Emax= 0.3678708171 1.3968519298 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 13.1653820475930 17) Finished k-point number 18 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 20 33) Finished k-point number 34 1 with #bands= 22 sumw= 1728.00000000000 38) Finished k-point number 39 1 with #bands= 20 34) Finished k-point number 35 1 with #bands= 20 23) Finished k-point number 24 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 20 39) Finished k-point number 40 1 with #bands= 18 12) Finished k-point number 13 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 18 47) Finished k-point number 48 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 18 8) Finished k-point number 9 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 20 11) Finished k-point number 12 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 20 14) Finished k-point number 15 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 20 13) Finished k-point number 14 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 58) Finished k-point number 59 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 62) Finished k-point number 63 1 with #bands= 20 25) Finished k-point number 26 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 20 30) Finished k-point number 31 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 18 67) Finished k-point number 68 1 with #bands= 20 65) Finished k-point number 66 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.923354980180096 0.920666669219319 6) Finished k-point number 7 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 39) Finished k-point number 40 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 18 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 7) Finished k-point number 8 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 20 11) Finished k-point number 12 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 20 9) Finished k-point number 10 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 20 38) Finished k-point number 39 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 20 65) Finished k-point number 66 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 20 3) Finished k-point number 4 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 20 2) Finished k-point number 3 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 12) Finished k-point number 13 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 13) Finished k-point number 14 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 20 67) Finished k-point number 68 1 with #bands= 20 14) Finished k-point number 15 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1831055 Total datasize is[MBy]= 13.91602 max_nbands= 24 nomega= 500 pr_proc= 1 nprocs= 76 EF 13.1653820475930 Density= 15.9997280990621 EF 13.4374958797066 Density= 16.3798763993125 Brent's Method Step XA XB F(XA) F(XB) 0 0.98763782 0.96763782 0.379876 -0.271901E-03 1 0.97763782 0.96763784 0.184259 -0.271901E-03 2 0.97263783 0.96763759 0.914514E-01 -0.271901E-03 3 0.97013771 0.96763771 0.448037E-01 -0.271901E-03 4 0.96888771 0.96763765 0.218554E-01 -0.271901E-03 5 0.96826268 0.96763792 0.106114E-01 -0.271901E-03 6 0.96795030 0.96763755 0.511625E-02 -0.271901E-03 7 0.96779392 0.96763797 0.240410E-02 -0.271901E-03 8 0.96771595 0.96763800 0.106218E-02 -0.271901E-03 9 0.96767697 0.96763775 0.394940E-03 -0.271901E-03 10 0.96765736 0.96763787 0.603681E-04 -0.271901E-03 11 0.96765383 0.96763787 0.246695E-06 -0.271901E-03 12 0.96765382 0.96763787 0.144192E-09 -0.271901E-03 13 0.96765382 0.96765382 -0.155842E-08 0.144192E-09 14 0.96765382 0.96765382 -0.155842E-08 0.144192E-09 Absolute convergence of the X interval. Difference in EF= 0.0002176445 EF set to : 13.1655996921 new EF (no-mixing): 13.1655996921 mpr_proc= 1 myrank= 0 nprocs= 76 nkpt= 73 42) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 63) Finished k-point 64 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 40) Finished k-point 41 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 39) Finished k-point 40 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 41) Finished k-point 42 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 6) Finished k-point 7 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 24 0) Finished k-point 1 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 24 62) Finished k-point 63 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 34) Finished k-point 35 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 64) Finished k-point 65 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 28) Finished k-point 29 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 65) Finished k-point 66 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 35) Finished k-point 36 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 36) Finished k-point 37 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 29) Finished k-point 30 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 37) Finished k-point 38 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 38) Finished k-point 39 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 57) Finished k-point 58 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 70) Finished k-point 71 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 3 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 1) Finished k-point 2 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 4 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 22) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 24 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 56) Finished k-point 57 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 60) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 68) Finished k-point 69 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 67) Finished k-point 68 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 11) Finished k-point 12 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 9) Finished k-point 10 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 11 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 18 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 61) Finished k-point 62 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 20) Finished k-point 21 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 32 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 22 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 32) Finished k-point 33 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 34 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 48) Finished k-point 49 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 49) Finished k-point 50 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 50) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 51) Finished k-point 52 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 54) Finished k-point 55 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 71) Finished k-point 72 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 59) Finished k-point 60 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 58) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 53) Finished k-point 54 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 8) Finished k-point 9 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 20 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 17 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 43) Finished k-point 44 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 Sum of eigenvalues= 6.91444912143638 eV Ratio to renormalize= 1.00000000009756 nargs= 1 argi=dmft2.def Emin,Emax= 0.3678708171 1.3968519298 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 13.1655996920810 22) Finished k-point number 23 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 18 sumw= 1728.00000000000 24) Finished k-point number 25 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 25) Finished k-point number 26 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 20 13) Finished k-point number 14 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 20 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 18 38) Finished k-point number 39 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 18 32) Finished k-point number 33 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 20 68) Finished k-point number 69 1 with #bands= 20 30) Finished k-point number 31 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 20 31) Finished k-point number 32 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 20 67) Finished k-point number 68 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 18 66) Finished k-point number 67 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 20 71) Finished k-point number 72 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.923341420771547 0.920674111715756 6) Finished k-point number 7 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 18 39) Finished k-point number 40 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 18 4) Finished k-point number 5 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 20 9) Finished k-point number 10 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 20 11) Finished k-point number 12 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 20 65) Finished k-point number 66 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 20 3) Finished k-point number 4 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 20 70) Finished k-point number 71 1 with #bands= 20 67) Finished k-point number 68 1 with #bands= 20 13) Finished k-point number 14 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 20 14) Finished k-point number 15 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1831055 Total datasize is[MBy]= 13.91602 max_nbands= 24 nomega= 500 pr_proc= 1 nprocs= 76 EF 13.1655996920810 Density= 15.9999461388006 EF 13.4377135241946 Density= 16.3801654324422 Brent's Method Step XA XB F(XA) F(XB) 0 0.98765382 0.96765382 0.380165 -0.538611E-04 1 0.97765382 0.96765383 0.184463 -0.538611E-04 2 0.97265382 0.96765406 0.916861E-01 -0.538611E-04 3 0.97015394 0.96765419 0.450585E-01 -0.538611E-04 4 0.96890407 0.96765389 0.221260E-01 -0.538611E-04 5 0.96827898 0.96765380 0.108569E-01 -0.538611E-04 6 0.96796639 0.96765384 0.534650E-02 -0.538611E-04 7 0.96781012 0.96765406 0.263127E-02 -0.538611E-04 8 0.96773209 0.96765419 0.128599E-02 -0.538611E-04 9 0.96769314 0.96765389 0.617758E-03 -0.538611E-04 10 0.96767351 0.96765404 0.282099E-03 -0.538611E-04 11 0.96766377 0.96765396 0.115886E-03 -0.538611E-04 12 0.96765887 0.96765376 0.322231E-04 -0.538611E-04 13 0.96765694 0.96765887 -0.654666E-06 0.322231E-04 14 0.96765698 0.96765887 -0.102318E-09 0.322231E-04 15 0.96765698 0.96765698 0.160208E-08 -0.102318E-09 16 0.96765698 0.96765698 0.160208E-08 -0.102318E-09 Absolute convergence of the X interval. Difference in EF= 0.0000430201 EF set to : 13.1656427121 new EF (no-mixing): 13.1656427121 mpr_proc= 1 myrank= 0 nprocs= 76 nkpt= 73 42) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 63) Finished k-point 64 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 39) Finished k-point 40 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 40) Finished k-point 41 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 41) Finished k-point 42 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 0) Finished k-point 1 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 24 36) Finished k-point 37 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 29) Finished k-point 30 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 37) Finished k-point 38 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 6) Finished k-point 7 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 24 62) Finished k-point 63 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 34) Finished k-point 35 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 35) Finished k-point 36 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 65) Finished k-point 66 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 64) Finished k-point 65 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 38) Finished k-point 39 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 28) Finished k-point 29 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 57) Finished k-point 58 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 70) Finished k-point 71 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 4 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 1) Finished k-point 2 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 2) Finished k-point 3 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 22) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 24 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 56) Finished k-point 57 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 60) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 61) Finished k-point 62 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 67) Finished k-point 68 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 68) Finished k-point 69 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 9) Finished k-point 10 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 12 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 11 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 22 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 18 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 21 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 32) Finished k-point 33 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 32 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 51) Finished k-point 52 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 34 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 49) Finished k-point 50 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 50) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 48) Finished k-point 49 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 54) Finished k-point 55 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 58) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 59) Finished k-point 60 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 53) Finished k-point 54 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 8) Finished k-point 9 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 17 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 71) Finished k-point 72 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 20 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 43) Finished k-point 44 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 Sum of eigenvalues= 6.91659956562737 eV Ratio to renormalize= 0.999999999900055 nargs= 1 argi=dmft2.def Emin,Emax= 0.3678708171 1.3968519298 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 13.1656427121456 sumw= 1728.00000000000 1) Finished k-point number 2 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 20 41) Finished k-point number 42 1 with #bands= 18 29) Finished k-point number 30 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 18 35) Finished k-point number 36 1 with #bands= 20 15) Finished k-point number 16 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 20 34) Finished k-point number 35 1 with #bands= 20 39) Finished k-point number 40 1 with #bands= 18 38) Finished k-point number 39 1 with #bands= 20 3) Finished k-point number 4 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 20 46) Finished k-point number 47 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 20 23) Finished k-point number 24 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 20 18) Finished k-point number 19 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 18 30) Finished k-point number 31 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 20 44) Finished k-point number 45 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 20 67) Finished k-point number 68 1 with #bands= 20 45) Finished k-point number 46 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 18 57) Finished k-point number 58 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.923372860483406 0.920648226376182 6) Finished k-point number 7 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 18 39) Finished k-point number 40 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 18 4) Finished k-point number 5 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 20 11) Finished k-point number 12 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 20 10) Finished k-point number 11 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 20 5) Finished k-point number 6 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 20 38) Finished k-point number 39 1 with #bands= 20 3) Finished k-point number 4 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 20 2) Finished k-point number 3 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 70) Finished k-point number 71 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 20 13) Finished k-point number 14 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 20 22) Finished k-point number 23 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1831055 Total datasize is[MBy]= 13.91602 max_nbands= 24 nomega= 500 pr_proc= 1 nprocs= 76 EF 13.1656427121456 Density= 15.9999281507952 EF 13.4377565442592 Density= 16.3801213804183 Brent's Method Step XA XB F(XA) F(XB) 0 0.98765698 0.96765698 0.380121 -0.718491E-04 1 0.97765698 0.96765700 0.184434 -0.718491E-04 2 0.97265699 0.96765675 0.916411E-01 -0.718491E-04 3 0.97015687 0.96765687 0.450101E-01 -0.718491E-04 4 0.96890687 0.96765681 0.220857E-01 -0.718491E-04 5 0.96828184 0.96765708 0.108290E-01 -0.718491E-04 6 0.96796946 0.96765671 0.532524E-02 -0.718491E-04 7 0.96781308 0.96765665 0.260923E-02 -0.718491E-04 8 0.96773487 0.96765668 0.126121E-02 -0.718491E-04 9 0.96769577 0.96765667 0.590681E-03 -0.718491E-04 10 0.96767622 0.96765667 0.256347E-03 -0.718491E-04 11 0.96766645 0.96765667 0.895465E-04 -0.718491E-04 12 0.96766156 0.96765691 0.620662E-05 -0.718491E-04 13 0.96766120 0.96765691 0.855590E-07 -0.718491E-04 14 0.96766120 0.96766120 -0.106734E-09 0.855590E-07 15 0.96766120 0.96766120 0.159754E-08 -0.106734E-09 16 0.96766120 0.96766120 0.159754E-08 -0.106734E-09 Absolute convergence of the X interval. Difference in EF= 0.0000573851 EF set to : 13.1657000973 new EF (no-mixing): 13.1657000973 mpr_proc= 1 myrank= 0 nprocs= 76 nkpt= 73 63) Finished k-point 64 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 42) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 39) Finished k-point 40 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 40) Finished k-point 41 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 41) Finished k-point 42 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 0) Finished k-point 1 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 24 28) Finished k-point 29 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 29) Finished k-point 30 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 37) Finished k-point 38 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 6) Finished k-point 7 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 24 34) Finished k-point 35 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 62) Finished k-point 63 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 35) Finished k-point 36 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 65) Finished k-point 66 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 64) Finished k-point 65 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 38) Finished k-point 39 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 56) Finished k-point 57 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 57) Finished k-point 58 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 70) Finished k-point 71 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 67) Finished k-point 68 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 68) Finished k-point 69 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 9) Finished k-point 10 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 12 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 11 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 1) Finished k-point 2 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 4 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 2) Finished k-point 3 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 24 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 36) Finished k-point 37 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 60) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 21) Finished k-point 22 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 22) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 32) Finished k-point 33 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 21 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 18 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 61) Finished k-point 62 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 31) Finished k-point 32 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 50) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 34 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 49) Finished k-point 50 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 48) Finished k-point 49 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 51) Finished k-point 52 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 58) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 59) Finished k-point 60 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 53) Finished k-point 54 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 54) Finished k-point 55 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 71) Finished k-point 72 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 8) Finished k-point 9 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 17 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 20 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 43) Finished k-point 44 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 Sum of eigenvalues= 6.91829733822359 eV Ratio to renormalize= 0.999999999900339 nargs= 1 argi=dmft2.def Emin,Emax= 0.3678708171 1.3968519298 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 13.1657000972548 sumw= 1728.00000000000 21) Finished k-point number 22 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 20 39) Finished k-point number 40 1 with #bands= 18 33) Finished k-point number 34 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 20 30) Finished k-point number 31 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 20 22) Finished k-point number 23 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 13) Finished k-point number 14 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 18 12) Finished k-point number 13 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 20 48) Finished k-point number 49 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 20 6) Finished k-point number 7 1 with #bands= 20 5) Finished k-point number 6 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 18 18) Finished k-point number 19 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 20 45) Finished k-point number 46 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 58) Finished k-point number 59 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 20 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 18 68) Finished k-point number 69 1 with #bands= 20 66) Finished k-point number 67 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.923320034457475 0.920686087162336 6) Finished k-point number 7 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 18 39) Finished k-point number 40 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 18 4) Finished k-point number 5 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 7) Finished k-point number 8 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 20 10) Finished k-point number 11 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 20 11) Finished k-point number 12 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 20 65) Finished k-point number 66 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 20 3) Finished k-point number 4 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 20 12) Finished k-point number 13 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 67) Finished k-point number 68 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 20 17) Finished k-point number 18 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1831055 Total datasize is[MBy]= 13.91602 max_nbands= 24 nomega= 500 pr_proc= 1 nprocs= 76 EF 13.1657000972548 Density= 16.0001099666237 EF 12.8935862651412 Density= 15.6006629803330 Brent's Method Step XA XB F(XA) F(XB) 0 0.96766120 0.94766120 0.109967E-03 -0.399337 1 0.96765569 0.94766120 0.162212E-04 -0.399337 2 0.96765474 0.94766120 0.940050E-08 -0.399337 3 0.96765474 0.94766120 0.653699E-12 -0.399337 Absolute convergence of |F(X)|. Difference in EF= -0.0000878816 EF set to : 13.1656122156 new EF (no-mixing): 13.1656122156 mpr_proc= 1 myrank= 0 nprocs= 76 nkpt= 73 42) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 63) Finished k-point 64 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 40) Finished k-point 41 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 39) Finished k-point 40 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 41) Finished k-point 42 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 0) Finished k-point 1 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 24 6) Finished k-point 7 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 24 62) Finished k-point 63 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 34) Finished k-point 35 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 35) Finished k-point 36 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 65) Finished k-point 66 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 36) Finished k-point 37 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 28) Finished k-point 29 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 29) Finished k-point 30 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 64) Finished k-point 65 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 38) Finished k-point 39 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 57) Finished k-point 58 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 56) Finished k-point 57 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 70) Finished k-point 71 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 1) Finished k-point 2 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 4 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 2) Finished k-point 3 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 67) Finished k-point 68 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 68) Finished k-point 69 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 9) Finished k-point 10 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 12 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 11 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 18 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 24 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 22) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 32 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 37) Finished k-point 38 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 60) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 61) Finished k-point 62 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 20) Finished k-point 21 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 22 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 32) Finished k-point 33 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 34 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 51) Finished k-point 52 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 50) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 48) Finished k-point 49 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 49) Finished k-point 50 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 58) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 59) Finished k-point 60 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 54) Finished k-point 55 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 71) Finished k-point 72 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 53) Finished k-point 54 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 8) Finished k-point 9 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 20 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 17 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 43) Finished k-point 44 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 Sum of eigenvalues= 6.91916859353392 eV Ratio to renormalize= 1.00000000000015 nargs= 1 argi=dmft2.def 17) Finished k-point number 18 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 20 25) Finished k-point number 26 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 Emin,Emax= 0.3678708171 1.3968519298 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 6) Finished k-point number 7 1 with #bands= 20 Found EF.dat and EF is 13.1656122156336 29) Finished k-point number 30 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 20 39) Finished k-point number 40 1 with #bands= 18 15) Finished k-point number 16 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 18 43) Finished k-point number 44 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 20 26) Finished k-point number 27 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 18 8) Finished k-point number 9 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 sumw= 1728.00000000000 51) Finished k-point number 52 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 18 62) Finished k-point number 63 1 with #bands= 20 68) Finished k-point number 69 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 20 65) Finished k-point number 66 1 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.923375311379053 0.920658003445022 6) Finished k-point number 7 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 18 39) Finished k-point number 40 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 18 4) Finished k-point number 5 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 20 10) Finished k-point number 11 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 20 9) Finished k-point number 10 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 20 11) Finished k-point number 12 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 20 3) Finished k-point number 4 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 20 2) Finished k-point number 3 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 20 12) Finished k-point number 13 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 67) Finished k-point number 68 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 20 14) Finished k-point number 15 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1831055 Total datasize is[MBy]= 13.91602 max_nbands= 24 nomega= 500 pr_proc= 1 nprocs= 76 EF 13.1656122156336 Density= 16.0003948498937 EF 12.8934983835200 Density= 15.6011294035491 Brent's Method Step XA XB F(XA) F(XB) 0 0.96765474 0.94765474 0.394850E-03 -0.398871 1 0.96763496 0.94765474 0.586140E-04 -0.398871 2 0.96763151 0.94765474 0.164567E-06 -0.398871 3 0.96763150 0.94765474 0.806448E-10 -0.398871 Absolute convergence of |F(X)|. Difference in EF= -0.0003161411 EF set to : 13.1652960745 new EF (no-mixing): 13.1652960745 mpr_proc= 1 myrank= 0 nprocs= 76 nkpt= 73 42) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 63) Finished k-point 64 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 40) Finished k-point 41 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 39) Finished k-point 40 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 41) Finished k-point 42 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 0) Finished k-point 1 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 24 6) Finished k-point 7 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 24 62) Finished k-point 63 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 34) Finished k-point 35 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 65) Finished k-point 66 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 28) Finished k-point 29 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 35) Finished k-point 36 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 37) Finished k-point 38 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 29) Finished k-point 30 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 36) Finished k-point 37 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 64) Finished k-point 65 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 38) Finished k-point 39 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 57) Finished k-point 58 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 70) Finished k-point 71 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 1) Finished k-point 2 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 4 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 2) Finished k-point 3 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 24 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 22) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 60) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 56) Finished k-point 57 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 61) Finished k-point 62 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 68) Finished k-point 69 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 67) Finished k-point 68 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 9) Finished k-point 10 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 11 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 12 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 18 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 22 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 21 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 32) Finished k-point 33 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 32 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 51) Finished k-point 52 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 58) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 50) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 54) Finished k-point 55 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 53) Finished k-point 54 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 71) Finished k-point 72 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 34 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 48) Finished k-point 49 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 49) Finished k-point 50 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 59) Finished k-point 60 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 8) Finished k-point 9 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 17 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 20 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 43) Finished k-point 44 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 Sum of eigenvalues= 6.90836778374360 eV Ratio to renormalize= 0.999999999995153 nargs= 1 argi=dmft2.def 25) Finished k-point number 26 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 20 34) Finished k-point number 35 1 with #bands= 20 39) Finished k-point number 40 1 with #bands= 18 9) Finished k-point number 10 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 18 38) Finished k-point number 39 1 with #bands= 20 41) Finished k-point number 42 1 with #bands= 18 29) Finished k-point number 30 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 20 26) Finished k-point number 27 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 10) Finished k-point number 11 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 20 45) Finished k-point number 46 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 20 44) Finished k-point number 45 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 18 60) Finished k-point number 61 1 with #bands= 20 Emin,Emax= 0.3678708171 1.3968519298 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 49) Finished k-point number 50 1 with #bands= 22 Found EF.dat and EF is 13.1652960745014 61) Finished k-point number 62 1 with #bands= 20 48) Finished k-point number 49 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 18 64) Finished k-point number 65 1 with #bands= 20 65) Finished k-point number 66 1 with #bands= 20 sumw= 1728.00000000000 67) Finished k-point number 68 1 with #bands= 20 69) Finished k-point number 70 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 20 66) Finished k-point number 67 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.923344618897499 0.920679821688200 6) Finished k-point number 7 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 18 39) Finished k-point number 40 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 18 34) Finished k-point number 35 1 with #bands= 20 4) Finished k-point number 5 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 20 9) Finished k-point number 10 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 20 11) Finished k-point number 12 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 20 10) Finished k-point number 11 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 20 3) Finished k-point number 4 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 20 2) Finished k-point number 3 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 20 12) Finished k-point number 13 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 20 67) Finished k-point number 68 1 with #bands= 20 13) Finished k-point number 14 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1831055 Total datasize is[MBy]= 13.91602 max_nbands= 24 nomega= 500 pr_proc= 1 nprocs= 76 EF 13.1652960745014 Density= 15.9996861579393 EF 13.4374099066150 Density= 16.3798102254740 Brent's Method Step XA XB F(XA) F(XB) 0 0.98763150 0.96763150 0.379810 -0.313842E-03 1 0.97763150 0.96763152 0.184202 -0.313842E-03 2 0.97263151 0.96763175 0.913741E-01 -0.313842E-03 3 0.97013163 0.96763140 0.447292E-01 -0.313842E-03 4 0.96888151 0.96763157 0.217998E-01 -0.313842E-03 5 0.96825654 0.96763172 0.105648E-01 -0.313842E-03 6 0.96794413 0.96763141 0.507310E-02 -0.313842E-03 7 0.96778777 0.96763180 0.236284E-02 -0.313842E-03 8 0.96770979 0.96763137 0.102160E-02 -0.313842E-03 9 0.96767058 0.96763159 0.350871E-03 -0.313842E-03 10 0.96765108 0.96763148 0.186395E-04 -0.313842E-03 11 0.96764998 0.96765108 -0.651076E-07 0.186395E-04 12 0.96764999 0.96765108 -0.629363E-11 0.186395E-04 Absolute convergence of |F(X)|. Difference in EF= 0.0002515048 EF set to : 13.1655475793 new EF (no-mixing): 13.1655475793 mpr_proc= 1 myrank= 0 nprocs= 76 nkpt= 73 42) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 63) Finished k-point 64 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 40) Finished k-point 41 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 39) Finished k-point 40 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 41) Finished k-point 42 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 0) Finished k-point 1 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 24 6) Finished k-point 7 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 24 62) Finished k-point 63 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 34) Finished k-point 35 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 65) Finished k-point 66 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 35) Finished k-point 36 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 29) Finished k-point 30 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 28) Finished k-point 29 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 36) Finished k-point 37 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 37) Finished k-point 38 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 64) Finished k-point 65 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 38) Finished k-point 39 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 57) Finished k-point 58 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 56) Finished k-point 57 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 61) Finished k-point 62 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 70) Finished k-point 71 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 67) Finished k-point 68 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 68) Finished k-point 69 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 11) Finished k-point 12 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 11 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 9) Finished k-point 10 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 1) Finished k-point 2 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 2) Finished k-point 3 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 4 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 18 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 60) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 21) Finished k-point 22 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 24 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 22) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 32 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 21 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 32) Finished k-point 33 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 34 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 50) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 51) Finished k-point 52 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 49) Finished k-point 50 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 48) Finished k-point 49 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 54) Finished k-point 55 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 58) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 71) Finished k-point 72 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 59) Finished k-point 60 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 53) Finished k-point 54 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 8) Finished k-point 9 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 20 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 17 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 43) Finished k-point 44 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 Sum of eigenvalues= 6.91000730482445 eV Ratio to renormalize= 1.00000000000055