nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23475946770242 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 7) Finished k-point number 15 1 with #bands= 34 6) Finished k-point number 13 1 with #bands= 32 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 3) Finished k-point number 7 1 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 10) Finished k-point number 21 1 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 17) Finished k-point number 35 1 with #bands= 31 8) Finished k-point number 17 1 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 18) Finished k-point number 37 1 with #bands= 34 4) Finished k-point number 10 2 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 15) Finished k-point number 31 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 6 2 with #bands= 34 14) Finished k-point number 29 1 with #bands= 34 3) Finished k-point number 8 2 with #bands= 31 12) Finished k-point number 25 1 with #bands= 34 20) Finished k-point number 41 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 15) Finished k-point number 32 2 with #bands= 30 8) Finished k-point number 18 2 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 1) Finished k-point number 4 2 with #bands= 30 19) Finished k-point number 40 2 with #bands= 33 14) Finished k-point number 30 2 with #bands= 32 13) Finished k-point number 28 2 with #bands= 30 0) Finished k-point number 1 1 with #bands= 34 20) Finished k-point number 42 2 with #bands= 33 27) Finished k-point number 55 1 with #bands= 30 12) Finished k-point number 26 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 0) Finished k-point number 2 2 with #bands= 34 24) Finished k-point number 49 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 25) Finished k-point number 51 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 30) Finished k-point number 62 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 32) Finished k-point number 65 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947391931242794 0.927066509197667 0.950683701135900 0.939146225780777 0.948842434200599 0.947391931242794 0.927066509197667 0.950683701135900 0.939146225780777 0.948842434200599 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 17) Finished k-point number 35 1 with #bands= 31 9) Finished k-point number 19 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 22) Finished k-point number 45 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 5) Finished k-point number 11 1 with #bands= 34 33) Finished k-point number 67 1 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 14) Finished k-point number 30 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 20) Finished k-point number 42 2 with #bands= 33 9) Finished k-point number 20 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 36) Finished k-point number 74 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 12) Finished k-point number 26 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 25) Finished k-point number 52 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23475946770242 Density= 67.9910106052353 EF 8.50687329981601 Density= 69.0503856959136 Brent's Method Step XA XB F(XA) F(XB) 0 0.62524371 0.60524371 1.05039 -0.898939E-02 1 0.61524371 0.60524373 0.525186 -0.898940E-02 2 0.61024372 0.60524396 0.268504 -0.898939E-02 3 0.60774384 0.60524408 0.131546 -0.898939E-02 4 0.60649396 0.60524378 0.616101E-01 -0.898939E-02 5 0.60586887 0.60524369 0.263824E-01 -0.898940E-02 6 0.60555628 0.60524374 0.871301E-02 -0.898940E-02 7 0.60540238 0.60524374 0.859496E-06 -0.898940E-02 8 0.60540236 0.60524374 0.726033E-10 -0.898940E-02 Absolute convergence of |F(X)|. Difference in EF= 0.0021585577 EF set to : 8.2369180254 new EF (no-mixing): 8.2369180254 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 Sum of eigenvalues= -1041.89683425600 eV Ratio to renormalize= 1.00000000689400 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23691802539784 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 1) Finished k-point number 3 1 with #bands= 32 2) Finished k-point number 5 1 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 0) Finished k-point number 2 2 with #bands= 34 2) Finished k-point number 6 2 with #bands= 34 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 5) Finished k-point number 11 1 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 30) Finished k-point number 62 2 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 10) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 14) Finished k-point number 29 1 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 21) Finished k-point number 43 1 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 19) Finished k-point number 40 2 with #bands= 33 17) Finished k-point number 35 1 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 51 1 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 32) Finished k-point number 65 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947391680031936 0.927053250533747 0.950680815513150 0.939138528089968 0.948841410381446 0.947391680031936 0.927053250533747 0.950680815513150 0.939138528089968 0.948841410381446 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 9) Finished k-point number 19 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 22) Finished k-point number 45 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 0) Finished k-point number 1 1 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 13) Finished k-point number 28 2 with #bands= 30 1) Finished k-point number 4 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 35) Finished k-point number 72 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 25) Finished k-point number 52 2 with #bands= 32 EF 8.23691802539784 Density= 68.0027846353967 EF 7.96480419328426 Density= 66.6602449596172 Brent's Method Step XA XB F(XA) F(XB) 0 0.60540236 0.58540236 0.278464E-02 -1.33976 1 0.60536088 0.58540236 0.436554E-03 -1.33976 2 0.60535317 0.58540236 0.759073E-07 -1.33976 3 0.60535317 0.58540236 0.210321E-11 -1.33976 Absolute convergence of |F(X)|. Difference in EF= -0.0006693243 EF set to : 8.2362487011 new EF (no-mixing): 8.2362487011 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 Sum of eigenvalues= -1041.91653100659 eV Ratio to renormalize= 1.00000000688995 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23624870105818 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 1) Finished k-point number 3 1 with #bands= 32 2) Finished k-point number 5 1 with #bands= 31 3) Finished k-point number 7 1 with #bands= 33 1) Finished k-point number 4 2 with #bands= 30 2) Finished k-point number 6 2 with #bands= 34 3) Finished k-point number 8 2 with #bands= 31 8) Finished k-point number 17 1 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 5) Finished k-point number 11 1 with #bands= 34 4) Finished k-point number 9 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 4) Finished k-point number 10 2 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 10) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 51 1 with #bands= 34 20) Finished k-point number 41 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 25) Finished k-point number 52 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 26) Finished k-point number 53 1 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 17) Finished k-point number 35 1 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 30) Finished k-point number 62 2 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 13) Finished k-point number 27 1 with #bands= 30 12) Finished k-point number 25 1 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 13) Finished k-point number 28 2 with #bands= 30 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947391095732244 0.927031654907781 0.950675847341319 0.939125950180552 0.948839761067947 0.947391095732244 0.927031654907781 0.950675847341319 0.939125950180552 0.948839761067947 4) Finished k-point number 9 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 22) Finished k-point number 45 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 24) Finished k-point number 49 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 5) Finished k-point number 11 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 1) Finished k-point number 4 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 14) Finished k-point number 30 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 30) Finished k-point number 62 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 21) Finished k-point number 44 2 with #bands= 33 0) Finished k-point number 2 2 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23624870105818 Density= 68.0043681371356 EF 7.96413486894460 Density= 66.6632363335770 Brent's Method Step XA XB F(XA) F(XB) 0 0.60535317 0.58535317 0.436814E-02 -1.33676 1 0.60528803 0.58535317 0.683502E-03 -1.33676 2 0.60527595 0.58535317 0.184159E-06 -1.33676 3 0.60527595 0.58535317 0.778755E-11 -1.33676 Absolute convergence of |F(X)|. Difference in EF= -0.0010506565 EF set to : 8.2351980445 new EF (no-mixing): 8.2351980445 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 Sum of eigenvalues= -1041.94636324070 eV Ratio to renormalize= 1.00000000692522 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23519804451564 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 26) Finished k-point number 53 1 with #bands= 31 24) Finished k-point number 49 1 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 25) Finished k-point number 51 1 with #bands= 34 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 52 2 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 1) Finished k-point number 3 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 2) Finished k-point number 5 1 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 3) Finished k-point number 8 2 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 35) Finished k-point number 71 1 with #bands= 32 32) Finished k-point number 65 1 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 29) Finished k-point number 59 1 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 20 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 27) Finished k-point number 56 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 10) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 5) Finished k-point number 11 1 with #bands= 33 4) Finished k-point number 9 1 with #bands= 31 5) Finished k-point number 12 2 with #bands= 32 4) Finished k-point number 10 2 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 6) Finished k-point number 13 1 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 23) Finished k-point number 47 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 16) Finished k-point number 33 1 with #bands= 34 17) Finished k-point number 35 1 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 37 1 with #bands= 34 17) Finished k-point number 36 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 14) Finished k-point number 29 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 13) Finished k-point number 27 1 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947292977781347 0.927021329432345 0.949862872364186 0.938311334610751 0.948448443754021 0.947292977781347 0.927021329432345 0.949862872364186 0.938311334610751 0.948448443754021 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 20) Finished k-point number 41 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 20) Finished k-point number 42 2 with #bands= 33 17) Finished k-point number 36 2 with #bands= 33 14) Finished k-point number 30 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 23) Finished k-point number 48 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 21) Finished k-point number 44 2 with #bands= 33 0) Finished k-point number 2 2 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23519804451564 Density= 67.9987999610561 EF 8.50731187662922 Density= 69.0585160564388 Brent's Method Step XA XB F(XA) F(XB) 0 0.62527595 0.60527595 1.05852 -0.120004E-02 1 0.61527595 0.60527596 0.531133 -0.120004E-02 2 0.61027596 0.60527572 0.275462 -0.120004E-02 3 0.60777584 0.60527584 0.138995 -0.120004E-02 4 0.60652584 0.60527578 0.692326E-01 -0.120004E-02 5 0.60590081 0.60527605 0.340836E-01 -0.120004E-02 6 0.60558843 0.60527568 0.164618E-01 -0.120004E-02 7 0.60543205 0.60527610 0.762749E-02 -0.120004E-02 8 0.60535408 0.60527565 0.321914E-02 -0.120004E-02 9 0.60531486 0.60527587 0.100142E-02 -0.120004E-02 10 0.60529716 0.60527587 0.225778E-06 -0.120004E-02 11 0.60529716 0.60529716 -0.345537E-09 0.225778E-06 12 0.60529716 0.60529716 0.531128E-08 -0.345537E-09 13 0.60529716 0.60529716 0.531128E-08 -0.345537E-09 Absolute convergence of the X interval. Difference in EF= 0.0002886145 EF set to : 8.2354866590 new EF (no-mixing): 8.2354866590 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 Sum of eigenvalues= -1041.94209231378 eV Ratio to renormalize= 1.00000000681563 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23548665900083 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 0) Finished k-point number 1 1 with #bands= 34 1) Finished k-point number 3 1 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 1) Finished k-point number 4 2 with #bands= 30 6) Finished k-point number 13 1 with #bands= 32 5) Finished k-point number 11 1 with #bands= 34 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 5) Finished k-point number 12 2 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 2) Finished k-point number 5 1 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 11) Finished k-point number 23 1 with #bands= 33 10) Finished k-point number 21 1 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 32) Finished k-point number 65 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 25) Finished k-point number 51 1 with #bands= 34 24) Finished k-point number 49 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 34) Finished k-point number 70 2 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 25) Finished k-point number 52 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 33) Finished k-point number 67 1 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 13) Finished k-point number 27 1 with #bands= 30 14) Finished k-point number 29 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 14) Finished k-point number 30 2 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 17) Finished k-point number 35 1 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947387568090813 0.927033125432116 0.950670658377382 0.939125641595315 0.948840171484861 0.947387568090813 0.927033125432116 0.950670658377382 0.939125641595315 0.948840171484861 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 1) Finished k-point number 3 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 22) Finished k-point number 45 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 24) Finished k-point number 49 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 16) Finished k-point number 33 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 5) Finished k-point number 11 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 29) Finished k-point number 60 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 14) Finished k-point number 30 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 34) Finished k-point number 70 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 12) Finished k-point number 26 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 0) Finished k-point number 2 2 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23548665900083 Density= 67.9979273127086 EF 8.50760049111441 Density= 69.0549224768312 Brent's Method Step XA XB F(XA) F(XB) 0 0.62529716 0.60529716 1.05492 -0.207269E-02 1 0.61529716 0.60529718 0.530288 -0.207269E-02 2 0.61029717 0.60529741 0.274602 -0.207269E-02 3 0.60779729 0.60529753 0.138147 -0.207269E-02 4 0.60654741 0.60529723 0.683894E-01 -0.207269E-02 5 0.60592232 0.60529714 0.332339E-01 -0.207269E-02 6 0.60560973 0.60529719 0.155977E-01 -0.207269E-02 7 0.60545346 0.60529740 0.676764E-02 -0.207269E-02 8 0.60537543 0.60529753 0.235545E-02 -0.207269E-02 9 0.60533648 0.60529723 0.152226E-03 -0.207269E-02 10 0.60533378 0.60533648 -0.410868E-06 0.152226E-03 11 0.60533379 0.60533378 0.348166E-11 -0.410868E-06 Absolute convergence of |F(X)|. Difference in EF= 0.0004984021 EF set to : 8.2359850611 new EF (no-mixing): 8.2359850611 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 Sum of eigenvalues= -1041.90130372538 eV Ratio to renormalize= 1.00000000689726 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23598506114845 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 0) Finished k-point number 1 1 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 1) Finished k-point number 3 1 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 3) Finished k-point number 8 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 14) Finished k-point number 29 1 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 6) Finished k-point number 13 1 with #bands= 32 5) Finished k-point number 11 1 with #bands= 33 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 5) Finished k-point number 12 2 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 7) Finished k-point number 15 1 with #bands= 34 9) Finished k-point number 19 1 with #bands= 31 32) Finished k-point number 65 1 with #bands= 33 7) Finished k-point number 16 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 10) Finished k-point number 21 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 25) Finished k-point number 51 1 with #bands= 34 24) Finished k-point number 50 2 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 16) Finished k-point number 33 1 with #bands= 34 17) Finished k-point number 36 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 28) Finished k-point number 57 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947290105844075 0.927010829276345 0.949857080002213 0.938304299322015 0.948447321130923 0.947290105844075 0.927010829276345 0.949857080002212 0.938304299322015 0.948447321130923 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 20) Finished k-point number 41 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 32) Finished k-point number 65 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 1) Finished k-point number 4 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 14) Finished k-point number 30 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 29) Finished k-point number 60 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 2) Finished k-point number 6 2 with #bands= 34 33) Finished k-point number 68 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 0) Finished k-point number 2 2 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 25) Finished k-point number 52 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23598506114845 Density= 68.0024150251683 EF 7.96387122903487 Density= 66.6611216307857 Brent's Method Step XA XB F(XA) F(XB) 0 0.60533379 0.58533379 0.241503E-02 -1.33888 1 0.60529778 0.58533379 0.379058E-03 -1.33888 2 0.60529108 0.58533379 0.571641E-07 -1.33888 3 0.60529108 0.58533379 0.133582E-11 -1.33888 Absolute convergence of |F(X)|. Difference in EF= -0.0005811529 EF set to : 8.2354039082 new EF (no-mixing): 8.2354039082 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 Sum of eigenvalues= -1041.92918105073 eV Ratio to renormalize= 1.00000000689610 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23540390822711 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 1) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 4 2 with #bands= 30 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 3) Finished k-point number 8 2 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 5) Finished k-point number 11 1 with #bands= 33 4) Finished k-point number 9 1 with #bands= 31 5) Finished k-point number 12 2 with #bands= 32 4) Finished k-point number 10 2 with #bands= 31 6) Finished k-point number 14 2 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 51 1 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 8) Finished k-point number 17 1 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 10) Finished k-point number 21 1 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 12) Finished k-point number 25 1 with #bands= 34 19) Finished k-point number 39 1 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 16) Finished k-point number 33 1 with #bands= 34 17) Finished k-point number 36 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 32) Finished k-point number 65 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 12) Finished k-point number 26 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 15) Finished k-point number 31 1 with #bands= 31 14) Finished k-point number 29 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 14) Finished k-point number 30 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947288585732224 0.927017715673439 0.949858014063268 0.938306317348901 0.948445893930404 0.947288585732224 0.927017715673439 0.949858014063268 0.938306317348901 0.948445893930404 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 9) Finished k-point number 19 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 15) Finished k-point number 31 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 1) Finished k-point number 3 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 20) Finished k-point number 41 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 5) Finished k-point number 11 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 1) Finished k-point number 4 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 9) Finished k-point number 20 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 5) Finished k-point number 12 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 33) Finished k-point number 68 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 0) Finished k-point number 2 2 with #bands= 34 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23540390822711 Density= 67.9990535051331 EF 8.50751774034069 Density= 69.0584103503055 Brent's Method Step XA XB F(XA) F(XB) 0 0.62529108 0.60529108 1.05841 -0.946495E-03 1 0.61529108 0.60529110 0.531213 -0.946495E-03 2 0.61029109 0.60529132 0.275616 -0.946495E-03 3 0.60779121 0.60529097 0.139218 -0.946495E-03 4 0.60654109 0.60529115 0.694727E-01 -0.946495E-03 5 0.60591612 0.60529130 0.343375E-01 -0.946495E-03 6 0.60560371 0.60529098 0.167190E-01 -0.946495E-03 7 0.60544735 0.60529090 0.788788E-02 -0.946495E-03 8 0.60536912 0.60529094 0.346684E-02 -0.946495E-03 9 0.60533003 0.60529092 0.125668E-02 -0.946495E-03 10 0.60531048 0.60529093 0.150823E-03 -0.946495E-03 11 0.60530780 0.60531048 -0.600756E-06 0.150823E-03 12 0.60530781 0.60530780 0.488853E-11 -0.600756E-06 Absolute convergence of |F(X)|. Difference in EF= 0.0002276939 EF set to : 8.2356316021 new EF (no-mixing): 8.2356316021 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 Sum of eigenvalues= -1041.91606522861 eV Ratio to renormalize= 1.00000000689370 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23563160211807 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 2) Finished k-point number 5 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 1) Finished k-point number 4 2 with #bands= 30 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 3) Finished k-point number 8 2 with #bands= 31 0) Finished k-point number 2 2 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 19) Finished k-point number 39 1 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 40 2 with #bands= 33 17) Finished k-point number 36 2 with #bands= 33 25) Finished k-point number 51 1 with #bands= 34 24) Finished k-point number 49 1 with #bands= 33 25) Finished k-point number 52 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 26) Finished k-point number 53 1 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 10) Finished k-point number 21 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 9) Finished k-point number 20 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 4) Finished k-point number 9 1 with #bands= 31 5) Finished k-point number 11 1 with #bands= 33 4) Finished k-point number 10 2 with #bands= 31 5) Finished k-point number 12 2 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 23) Finished k-point number 47 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 13) Finished k-point number 27 1 with #bands= 30 12) Finished k-point number 25 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 12) Finished k-point number 26 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 35) Finished k-point number 72 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 32 2 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947288338398851 0.927019659964346 0.949858645804400 0.938307210228152 0.948445560524582 0.947288338398851 0.927019659964345 0.949858645804400 0.938307210228152 0.948445560524582 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 9) Finished k-point number 19 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 1) Finished k-point number 3 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 11) Finished k-point number 23 1 with #bands= 33 26) Finished k-point number 53 1 with #bands= 31 22) Finished k-point number 45 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 5) Finished k-point number 11 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 34) Finished k-point number 69 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 3) Finished k-point number 8 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 20) Finished k-point number 42 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 28) Finished k-point number 58 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 5) Finished k-point number 12 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 0) Finished k-point number 2 2 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23563160211807 Density= 67.9998480417328 EF 8.50774543423165 Density= 69.0593561617598 Brent's Method Step XA XB F(XA) F(XB) 0 0.62530781 0.60530781 1.05936 -0.151958E-03 1 0.61530781 0.60530783 0.531953 -0.151958E-03 2 0.61030782 0.60530758 0.276393 -0.151958E-03 3 0.60780770 0.60530771 0.139993 -0.151958E-03 4 0.60655770 0.60530764 0.702576E-01 -0.151958E-03 5 0.60593267 0.60530791 0.351205E-01 -0.151958E-03 6 0.60562029 0.60530802 0.175043E-01 -0.151958E-03 7 0.60546416 0.60530797 0.868625E-02 -0.151958E-03 8 0.60538606 0.60530775 0.427256E-02 -0.151958E-03 9 0.60534691 0.60530786 0.205892E-02 -0.151958E-03 10 0.60532738 0.60530781 0.954897E-03 -0.151958E-03 11 0.60531760 0.60530783 0.401337E-03 -0.151958E-03 12 0.60531271 0.60530758 0.125295E-03 -0.151958E-03 13 0.60531039 0.60531271 -0.604655E-05 0.125295E-03 14 0.60531050 0.60531039 0.410125E-10 -0.604655E-05 Absolute convergence of |F(X)|. Difference in EF= 0.0000365559 EF set to : 8.2356681580 new EF (no-mixing): 8.2356681580 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 Sum of eigenvalues= -1041.91508849555 eV Ratio to renormalize= 1.00000000692979 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23566815803379 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 1) Finished k-point number 3 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 1) Finished k-point number 4 2 with #bands= 30 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 18) Finished k-point number 37 1 with #bands= 34 17) Finished k-point number 35 1 with #bands= 31 36) Finished k-point number 74 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 5) Finished k-point number 11 1 with #bands= 33 5) Finished k-point number 12 2 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 13) Finished k-point number 27 1 with #bands= 30 12) Finished k-point number 25 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 12) Finished k-point number 26 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 14) Finished k-point number 29 1 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 32 2 with #bands= 30 32) Finished k-point number 65 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 20) Finished k-point number 42 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 25) Finished k-point number 51 1 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947289197363367 0.927021468407349 0.949859909829525 0.938309423468772 0.948446465804561 0.947289197363367 0.927021468407349 0.949859909829525 0.938309423468772 0.948446465804561 28) Finished k-point number 58 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 30) Finished k-point number 62 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 1) Finished k-point number 3 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 26) Finished k-point number 53 1 with #bands= 31 22) Finished k-point number 45 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 14) Finished k-point number 29 1 with #bands= 34 5) Finished k-point number 11 1 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 17) Finished k-point number 36 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 3) Finished k-point number 8 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 14) Finished k-point number 30 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 34) Finished k-point number 70 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 35) Finished k-point number 72 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 5) Finished k-point number 12 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 32) Finished k-point number 66 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23566815803379 Density= 67.9997101901959 EF 8.50778199014738 Density= 69.0592746414403 Brent's Method Step XA XB F(XA) F(XB) 0 0.62531050 0.60531050 1.05927 -0.289810E-03 1 0.61531050 0.60531052 0.531861 -0.289810E-03 2 0.61031051 0.60531075 0.276279 -0.289810E-03 3 0.60781063 0.60531087 0.139881 -0.289810E-03 4 0.60656075 0.60531057 0.701459E-01 -0.289810E-03 5 0.60593566 0.60531048 0.350025E-01 -0.289810E-03 6 0.60562307 0.60531053 0.173731E-01 -0.289810E-03 7 0.60546680 0.60531074 0.854664E-02 -0.289810E-03 8 0.60538877 0.60531087 0.413636E-02 -0.289810E-03 9 0.60534982 0.60531057 0.193411E-02 -0.289810E-03 10 0.60533020 0.60531072 0.824200E-03 -0.289810E-03 11 0.60532046 0.60531064 0.273488E-03 -0.289810E-03 12 0.60531567 0.60531064 0.241321E-05 -0.289810E-03 13 0.60531562 0.60531064 0.331246E-07 -0.289810E-03 14 0.60531562 0.60531064 0.787281E-11 -0.289810E-03 Absolute convergence of |F(X)|. Difference in EF= 0.0000697127 EF set to : 8.2357378708 new EF (no-mixing): 8.2357378708 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 Sum of eigenvalues= -1041.91817034163 eV Ratio to renormalize= 1.00000000693057 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23573787075381 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 1) Finished k-point number 4 2 with #bands= 30 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 8) Finished k-point number 17 1 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 10) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 4) Finished k-point number 9 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 4) Finished k-point number 10 2 with #bands= 31 5) Finished k-point number 11 1 with #bands= 33 5) Finished k-point number 12 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 25) Finished k-point number 51 1 with #bands= 34 24) Finished k-point number 49 1 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 17) Finished k-point number 35 1 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 28) Finished k-point number 57 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 20) Finished k-point number 41 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 14) Finished k-point number 29 1 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 35) Finished k-point number 71 1 with #bands= 32 Renormalizing Gloc to account for the interstitials 35) Finished k-point number 72 2 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 Z due to missing-interstitials= 0.947289374893816 0.927022218684583 0.949860124169516 0.938309885529595 0.948446759204281 0.947289374893816 0.927022218684583 0.949860124169516 0.938309885529595 0.948446759204281 33) Finished k-point number 67 1 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 26) Finished k-point number 53 1 with #bands= 31 22) Finished k-point number 45 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 14) Finished k-point number 29 1 with #bands= 34 5) Finished k-point number 11 1 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 7) Finished k-point number 15 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 28) Finished k-point number 57 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 14) Finished k-point number 30 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 19) Finished k-point number 40 2 with #bands= 33 2) Finished k-point number 6 2 with #bands= 34 29) Finished k-point number 60 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 36) Finished k-point number 74 2 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 5) Finished k-point number 12 2 with #bands= 32 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 12) Finished k-point number 26 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23573787075381 Density= 67.9998660598129 EF 8.50785170286739 Density= 69.0594621535059 Brent's Method Step XA XB F(XA) F(XB) 0 0.62531562 0.60531562 1.05946 -0.133940E-03 1 0.61531562 0.60531564 0.532008 -0.133940E-03 2 0.61031563 0.60531539 0.276433 -0.133940E-03 3 0.60781551 0.60531552 0.140023 -0.133940E-03 4 0.60656552 0.60531546 0.702818E-01 -0.133940E-03 5 0.60594049 0.60531525 0.351416E-01 -0.133940E-03 6 0.60562787 0.60531535 0.175105E-01 -0.133940E-03 7 0.60547161 0.60531554 0.868485E-02 -0.133940E-03 8 0.60539357 0.60531568 0.427413E-02 -0.133940E-03 9 0.60535463 0.60531537 0.207208E-02 -0.133940E-03 10 0.60533500 0.60531553 0.962059E-03 -0.133940E-03 11 0.60532526 0.60531545 0.411398E-03 -0.133940E-03 12 0.60532036 0.60531525 0.133856E-03 -0.133940E-03 13 0.60531783 0.60532036 -0.927082E-05 0.133856E-03 14 0.60531799 0.60531783 0.672742E-10 -0.927082E-05 Absolute convergence of |F(X)|. Difference in EF= 0.0000322185 EF set to : 8.2357700892 new EF (no-mixing): 8.2357700892 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 Sum of eigenvalues= -1041.91747156245 eV Ratio to renormalize= 1.00000000692999 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23577008922959 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 1) Finished k-point number 3 1 with #bands= 32 2) Finished k-point number 5 1 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 2) Finished k-point number 6 2 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 17) Finished k-point number 35 1 with #bands= 31 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 13) Finished k-point number 27 1 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 5) Finished k-point number 11 1 with #bands= 33 6) Finished k-point number 13 1 with #bands= 32 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 5) Finished k-point number 12 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 23) Finished k-point number 47 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 51 1 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947289534019614 0.927023269613153 0.949860307046638 0.938310344606863 0.948447124124221 0.947289534019614 0.927023269613153 0.949860307046638 0.938310344606863 0.948447124124221 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 1) Finished k-point number 3 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 22) Finished k-point number 45 1 with #bands= 32 5) Finished k-point number 11 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 35) Finished k-point number 71 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 28) Finished k-point number 57 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 14) Finished k-point number 30 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 19) Finished k-point number 40 2 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 2) Finished k-point number 6 2 with #bands= 34 30) Finished k-point number 62 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 12) Finished k-point number 26 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23577008922959 Density= 67.9998175215409 EF 8.50788392134317 Density= 69.0594569331596 Brent's Method Step XA XB F(XA) F(XB) 0 0.62531799 0.60531799 1.05946 -0.182478E-03 1 0.61531799 0.60531801 0.531983 -0.182478E-03 2 0.61031800 0.60531776 0.276396 -0.182478E-03 3 0.60781788 0.60531789 0.139979 -0.182478E-03 4 0.60656788 0.60531782 0.702353E-01 -0.182478E-03 5 0.60594285 0.60531762 0.350940E-01 -0.182478E-03 6 0.60563023 0.60531772 0.174624E-01 -0.182478E-03 7 0.60547398 0.60531791 0.863654E-02 -0.182478E-03 8 0.60539594 0.60531805 0.422570E-02 -0.182478E-03 9 0.60535700 0.60531774 0.202359E-02 -0.182478E-03 10 0.60533737 0.60531790 0.913549E-03 -0.182478E-03 11 0.60532763 0.60531782 0.362874E-03 -0.182478E-03 12 0.60532273 0.60531762 0.853247E-04 -0.182478E-03 13 0.60532112 0.60532273 -0.562169E-05 0.853247E-04 14 0.60532122 0.60532112 0.259917E-10 -0.562169E-05 Absolute convergence of |F(X)|. Difference in EF= 0.0000438930 EF set to : 8.2358139822 new EF (no-mixing): 8.2358139822 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 Sum of eigenvalues= -1041.91623432358 eV Ratio to renormalize= 1.00000000693142 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23581398224398 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 1) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 4 2 with #bands= 30 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 9) Finished k-point number 19 1 with #bands= 31 10) Finished k-point number 21 1 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 16) Finished k-point number 33 1 with #bands= 34 17) Finished k-point number 36 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 4) Finished k-point number 9 1 with #bands= 31 5) Finished k-point number 11 1 with #bands= 33 4) Finished k-point number 10 2 with #bands= 31 5) Finished k-point number 12 2 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 13) Finished k-point number 27 1 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 31) Finished k-point number 63 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 15) Finished k-point number 31 1 with #bands= 31 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 32 2 with #bands= 30 31) Finished k-point number 64 2 with #bands= 34 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 51 1 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947289617135471 0.927024151094861 0.949860404187778 0.938310636356083 0.948447411131350 0.947289617135471 0.927024151094861 0.949860404187779 0.938310636356083 0.948447411131351 2) Finished k-point number 5 1 with #bands= 31 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 17) Finished k-point number 35 1 with #bands= 31 9) Finished k-point number 19 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 26) Finished k-point number 53 1 with #bands= 31 0) Finished k-point number 1 1 with #bands= 34 22) Finished k-point number 45 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 5) Finished k-point number 11 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 1) Finished k-point number 4 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 34) Finished k-point number 70 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 35) Finished k-point number 72 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 14) Finished k-point number 30 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 24) Finished k-point number 50 2 with #bands= 31 20) Finished k-point number 42 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 21) Finished k-point number 44 2 with #bands= 33 12) Finished k-point number 26 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23581398224398 Density= 67.9998538024754 EF 8.50792781435756 Density= 69.0595294598138 Brent's Method Step XA XB F(XA) F(XB) 0 0.62532122 0.60532122 1.05953 -0.146197E-03 1 0.61532122 0.60532124 0.532029 -0.146197E-03 2 0.61032123 0.60532099 0.276436 -0.146197E-03 3 0.60782111 0.60532111 0.140017 -0.146197E-03 4 0.60657111 0.60532105 0.702723E-01 -0.146197E-03 5 0.60594608 0.60532132 0.351306E-01 -0.146197E-03 6 0.60563370 0.60532095 0.175123E-01 -0.146197E-03 7 0.60547732 0.60532137 0.867963E-02 -0.146197E-03 8 0.60539935 0.60532140 0.427213E-02 -0.146197E-03 9 0.60536037 0.60532115 0.206832E-02 -0.146198E-03 10 0.60534076 0.60532127 0.959109E-03 -0.146197E-03 11 0.60533101 0.60532121 0.408009E-03 -0.146197E-03 12 0.60532611 0.60532100 0.130668E-03 -0.146197E-03 13 0.60532370 0.60532611 -0.569103E-05 0.130668E-03 14 0.60532380 0.60532370 0.402736E-10 -0.569103E-05 Absolute convergence of |F(X)|. Difference in EF= 0.0000351657 EF set to : 8.2358491480 new EF (no-mixing): 8.2358491480 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 Sum of eigenvalues= -1041.91545742753 eV Ratio to renormalize= 1.00000000689472 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23584914796381 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 1) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 4 2 with #bands= 30 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 13) Finished k-point number 27 1 with #bands= 30 12) Finished k-point number 26 2 with #bands= 32 13) Finished k-point number 28 2 with #bands= 30 14) Finished k-point number 29 1 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 5) Finished k-point number 11 1 with #bands= 33 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 15 1 with #bands= 34 6) Finished k-point number 13 1 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 7) Finished k-point number 16 2 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 26) Finished k-point number 53 1 with #bands= 31 25) Finished k-point number 51 1 with #bands= 34 24) Finished k-point number 49 1 with #bands= 33 25) Finished k-point number 52 2 with #bands= 32 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 24) Finished k-point number 50 2 with #bands= 31 20) Finished k-point number 41 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 30) Finished k-point number 61 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947289867228037 0.927026732795397 0.949860725435022 0.938311551548575 0.948448225993344 0.947289867228037 0.927026732795397 0.949860725435022 0.938311551548575 0.948448225993344 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 28) Finished k-point number 58 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 30) Finished k-point number 62 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 21) Finished k-point number 44 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 32) Finished k-point number 66 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23584914796381 Density= 67.9995698428384 EF 8.50796298007740 Density= 69.0593488524850 Brent's Method Step XA XB F(XA) F(XB) 0 0.62532380 0.60532380 1.05935 -0.430157E-03 1 0.61532380 0.60532382 0.531823 -0.430157E-03 2 0.61032381 0.60532405 0.276185 -0.430157E-03 3 0.60782393 0.60532417 0.139759 -0.430157E-03 4 0.60657405 0.60532387 0.700137E-01 -0.430157E-03 5 0.60594896 0.60532426 0.348660E-01 -0.430157E-03 6 0.60563661 0.60532383 0.172481E-01 -0.430157E-03 7 0.60548022 0.60532381 0.841396E-02 -0.430157E-03 8 0.60540201 0.60532382 0.399310E-02 -0.430157E-03 9 0.60536292 0.60532381 0.178219E-02 -0.430157E-03 10 0.60534336 0.60532381 0.676383E-03 -0.430157E-03 11 0.60533359 0.60532381 0.123507E-03 -0.430157E-03 12 0.60533141 0.60532381 0.854582E-07 -0.430157E-03 13 0.60533141 0.60532381 0.299138E-10 -0.430157E-03 Absolute convergence of |F(X)|. Difference in EF= 0.0001034628 EF set to : 8.2359526108 new EF (no-mixing): 8.2359526108 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 Sum of eigenvalues= -1041.91311782963 eV Ratio to renormalize= 1.00000000689576 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23595261075500 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 14) Finished k-point number 29 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 3) Finished k-point number 7 1 with #bands= 33 2) Finished k-point number 5 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 3) Finished k-point number 8 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 2) Finished k-point number 6 2 with #bands= 34 5) Finished k-point number 11 1 with #bands= 33 5) Finished k-point number 12 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 6) Finished k-point number 13 1 with #bands= 32 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 6) Finished k-point number 14 2 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 16) Finished k-point number 33 1 with #bands= 34 17) Finished k-point number 36 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 29) Finished k-point number 59 1 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 25) Finished k-point number 51 1 with #bands= 34 31) Finished k-point number 63 1 with #bands= 33 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 31) Finished k-point number 64 2 with #bands= 34 20) Finished k-point number 41 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 27) Finished k-point number 55 1 with #bands= 30 22) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 27) Finished k-point number 56 2 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 32) Finished k-point number 65 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947289919503818 0.927027028417001 0.949860800701922 0.938311714175598 0.948448319136187 0.947289919503818 0.927027028417001 0.949860800701922 0.938311714175598 0.948448319136187 33) Finished k-point number 67 1 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 26) Finished k-point number 53 1 with #bands= 31 22) Finished k-point number 45 1 with #bands= 32 5) Finished k-point number 11 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 14) Finished k-point number 30 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 21) Finished k-point number 44 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23595261075500 Density= 67.9999516998747 EF 8.50806644286858 Density= 69.0597464133931 Brent's Method Step XA XB F(XA) F(XB) 0 0.62533141 0.60533141 1.05975 -0.483000E-04 1 0.61533141 0.60533095 0.532159 -0.483000E-04 2 0.61033118 0.60533118 0.276536 -0.483000E-04 3 0.60783118 0.60533106 0.140114 -0.483000E-04 4 0.60658112 0.60533112 0.703627E-01 -0.483000E-04 5 0.60595612 0.60533133 0.352213E-01 -0.483000E-04 6 0.60564372 0.60533099 0.176015E-01 -0.483000E-04 7 0.60548736 0.60533140 0.876897E-02 -0.483000E-04 8 0.60540938 0.60533095 0.436111E-02 -0.483000E-04 9 0.60537016 0.60533117 0.214385E-02 -0.483000E-04 10 0.60535067 0.60533106 0.104129E-02 -0.483000E-04 11 0.60534087 0.60533112 0.486827E-03 -0.483000E-04 12 0.60533599 0.60533133 0.211151E-03 -0.483000E-04 13 0.60533366 0.60533122 0.792684E-04 -0.483000E-04 14 0.60533244 0.60533128 0.103470E-04 -0.483000E-04 15 0.60533225 0.60533244 -0.630406E-06 0.103470E-04 16 0.60533226 0.60533225 0.355271E-12 -0.630406E-06 Absolute convergence of |F(X)|. Difference in EF= 0.0000116175 EF set to : 8.2359642282 new EF (no-mixing): 8.2359642282 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 Sum of eigenvalues= -1041.91284778464 eV Ratio to renormalize= 1.00000000689598 nargs= 1 argi=dmft2.def 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 1) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 4 2 with #bands= 30 Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23596422821154 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 6) Finished k-point number 13 1 with #bands= 32 5) Finished k-point number 11 1 with #bands= 33 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 5) Finished k-point number 12 2 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 15) Finished k-point number 31 1 with #bands= 31 12) Finished k-point number 25 1 with #bands= 34 13) Finished k-point number 27 1 with #bands= 30 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 32 2 with #bands= 30 12) Finished k-point number 26 2 with #bands= 32 13) Finished k-point number 28 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 7) Finished k-point number 16 2 with #bands= 33 11) Finished k-point number 23 1 with #bands= 33 10) Finished k-point number 21 1 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 18) Finished k-point number 37 1 with #bands= 34 17) Finished k-point number 35 1 with #bands= 31 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 26) Finished k-point number 53 1 with #bands= 31 19) Finished k-point number 40 2 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 27) Finished k-point number 55 1 with #bands= 30 26) Finished k-point number 54 2 with #bands= 31 22) Finished k-point number 46 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 25) Finished k-point number 51 1 with #bands= 34 24) Finished k-point number 50 2 with #bands= 31 23) Finished k-point number 48 2 with #bands= 32 27) Finished k-point number 56 2 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 25) Finished k-point number 52 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 34) Finished k-point number 69 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947289951725370 0.927026968314430 0.949860885456170 0.938311842491749 0.948448271143371 0.947289951725370 0.927026968314430 0.949860885456170 0.938311842491749 0.948448271143371 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 9) Finished k-point number 19 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 1) Finished k-point number 3 1 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 0) Finished k-point number 1 1 with #bands= 34 11) Finished k-point number 23 1 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 22) Finished k-point number 45 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 1) Finished k-point number 4 2 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 14) Finished k-point number 30 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 19) Finished k-point number 40 2 with #bands= 33 5) Finished k-point number 12 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 23) Finished k-point number 48 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 0) Finished k-point number 2 2 with #bands= 34 21) Finished k-point number 44 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23596422821154 Density= 68.0079539821372 EF 7.96385039609796 Density= 66.6557792792781 Brent's Method Step XA XB F(XA) F(XB) 0 0.60533226 0.58533226 0.795398E-02 -1.34422 1 0.60521461 0.58533226 0.123665E-02 -1.34422 2 0.60519297 0.58533226 0.107056E-05 -1.34422 3 0.60519295 0.58533226 0.145775E-09 -1.34422 4 0.60519295 0.60519295 -0.556429E-08 0.145775E-09 5 0.60519295 0.60519295 -0.556429E-08 0.145775E-09 Absolute convergence of the X interval. Difference in EF= -0.0018953380 EF set to : 8.2340688902 new EF (no-mixing): 8.2340688902 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 51 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 Sum of eigenvalues= -1041.96631782044 eV Ratio to renormalize= 1.00000000642430 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23406889021897 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 1) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 4 2 with #bands= 30 0) Finished k-point number 1 1 with #bands= 34 2) Finished k-point number 5 1 with #bands= 31 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 2 2 with #bands= 34 2) Finished k-point number 6 2 with #bands= 34 3) Finished k-point number 8 2 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 14) Finished k-point number 29 1 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 5) Finished k-point number 11 1 with #bands= 33 4) Finished k-point number 9 1 with #bands= 31 5) Finished k-point number 12 2 with #bands= 32 4) Finished k-point number 10 2 with #bands= 31 9) Finished k-point number 19 1 with #bands= 31 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 6) Finished k-point number 13 1 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 18) Finished k-point number 37 1 with #bands= 34 17) Finished k-point number 36 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 27) Finished k-point number 55 1 with #bands= 30 25) Finished k-point number 51 1 with #bands= 34 27) Finished k-point number 56 2 with #bands= 33 26) Finished k-point number 53 1 with #bands= 31 24) Finished k-point number 49 1 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 52 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 10) Finished k-point number 21 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 32) Finished k-point number 65 1 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947289960804479 0.927026922877285 0.949860875216169 0.938311824058808 0.948448302106877 0.947289960804479 0.927026922877285 0.949860875216169 0.938311824058808 0.948448302106877 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 17) Finished k-point number 35 1 with #bands= 31 9) Finished k-point number 19 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 22) Finished k-point number 45 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 24) Finished k-point number 49 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 1) Finished k-point number 4 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 35) Finished k-point number 72 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 36) Finished k-point number 74 2 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 21) Finished k-point number 44 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23406889021897 Density= 68.0000029369586 EF 7.96195505810539 Density= 66.6441032275118 Brent's Method Step XA XB F(XA) F(XB) 0 0.60519295 0.58519296 0.293706E-05 -1.35590 1 0.60519291 0.58519296 0.463301E-06 -1.35590 2 0.60519290 0.58519296 0.142109E-12 -1.35590 Absolute convergence of |F(X)|. Difference in EF= -0.0000006998 EF set to : 8.2340681904 new EF (no-mixing): 8.2340681904 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 51 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 Sum of eigenvalues= -1041.96663856594 eV Ratio to renormalize= 1.00000000634250 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23406819039134 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 1) Finished k-point number 3 1 with #bands= 32 2) Finished k-point number 5 1 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 2) Finished k-point number 6 2 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 13) Finished k-point number 27 1 with #bands= 30 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 5) Finished k-point number 11 1 with #bands= 33 4) Finished k-point number 9 1 with #bands= 31 14) Finished k-point number 29 1 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 13) Finished k-point number 28 2 with #bands= 30 12) Finished k-point number 26 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 4) Finished k-point number 10 2 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 25) Finished k-point number 51 1 with #bands= 34 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 29) Finished k-point number 60 2 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947289985766363 0.927026951441334 0.949860936769841 0.938311915275641 0.948448281052038 0.947289985766363 0.927026951441334 0.949860936769842 0.938311915275641 0.948448281052038 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 17) Finished k-point number 35 1 with #bands= 31 9) Finished k-point number 19 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 11) Finished k-point number 23 1 with #bands= 33 26) Finished k-point number 53 1 with #bands= 31 22) Finished k-point number 45 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 23) Finished k-point number 47 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 24) Finished k-point number 50 2 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 14) Finished k-point number 30 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 5) Finished k-point number 12 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 30) Finished k-point number 62 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 12) Finished k-point number 26 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 25) Finished k-point number 52 2 with #bands= 32 EF 8.23406819039134 Density= 68.0000020418821 EF 7.96195435827776 Density= 66.6441011382955 Brent's Method Step XA XB F(XA) F(XB) 0 0.60519290 0.58519290 0.204198E-05 -1.35590 1 0.60519287 0.58519290 0.322107E-06 -1.35590 2 0.60519287 0.58519290 0.710543E-13 -1.35590 Absolute convergence of |F(X)|. Difference in EF= -0.0000004866 EF set to : 8.2340677038 new EF (no-mixing): 8.2340677038 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 51 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 Sum of eigenvalues= -1041.96655658428 eV Ratio to renormalize= 1.00000000634265 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23406770383902 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 1) Finished k-point number 3 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 1) Finished k-point number 4 2 with #bands= 30 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 3) Finished k-point number 8 2 with #bands= 31 34) Finished k-point number 69 1 with #bands= 32 32) Finished k-point number 65 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 5) Finished k-point number 11 1 with #bands= 33 4) Finished k-point number 9 1 with #bands= 31 6) Finished k-point number 14 2 with #bands= 31 5) Finished k-point number 12 2 with #bands= 32 4) Finished k-point number 10 2 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 9) Finished k-point number 19 1 with #bands= 31 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 10) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 15) Finished k-point number 31 1 with #bands= 31 14) Finished k-point number 29 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 12) Finished k-point number 25 1 with #bands= 34 15) Finished k-point number 32 2 with #bands= 30 14) Finished k-point number 30 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 25) Finished k-point number 51 1 with #bands= 34 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 17) Finished k-point number 35 1 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 17) Finished k-point number 36 2 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947289952427984 0.927026959259330 0.949860874825043 0.938311821857699 0.948448280568906 0.947289952427984 0.927026959259330 0.949860874825043 0.938311821857699 0.948448280568906 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 17) Finished k-point number 35 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 26) Finished k-point number 53 1 with #bands= 31 3) Finished k-point number 7 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 5) Finished k-point number 11 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 29) Finished k-point number 60 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 9) Finished k-point number 20 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 5) Finished k-point number 12 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 36) Finished k-point number 74 2 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 23) Finished k-point number 48 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 21) Finished k-point number 44 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 32) Finished k-point number 66 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 25) Finished k-point number 52 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23406770383902 Density= 67.9999984682008 EF 8.50618153595260 Density= 69.0562965707492 Brent's Method Step XA XB F(XA) F(XB) 0 0.62519287 0.60519287 1.05630 -0.153170E-05 1 0.61519287 0.60519289 0.535240 -0.153170E-05 2 0.61019288 0.60519312 0.280504 -0.153170E-05 3 0.60769300 0.60519276 0.142169 -0.153170E-05 4 0.60644288 0.60519294 0.712996E-01 -0.153170E-05 5 0.60581791 0.60519309 0.356766E-01 -0.153170E-05 6 0.60550550 0.60519278 0.178475E-01 -0.153170E-05 7 0.60534914 0.60519269 0.892105E-02 -0.153170E-05 8 0.60527092 0.60519273 0.445494E-02 -0.153170E-05 9 0.60523183 0.60519271 0.222294E-02 -0.153170E-05 10 0.60521227 0.60519272 0.110633E-02 -0.153170E-05 11 0.60520250 0.60519272 0.548317E-03 -0.153170E-05 12 0.60519761 0.60519296 0.269161E-03 -0.153170E-05 13 0.60519528 0.60519284 0.136463E-03 -0.153170E-05 14 0.60519406 0.60519290 0.666734E-04 -0.153170E-05 15 0.60519348 0.60519311 0.334987E-04 -0.153170E-05 16 0.60519329 0.60519300 0.228583E-04 -0.153170E-05 17 0.60519315 0.60519282 0.145646E-04 -0.153170E-05 18 0.60519298 0.60519267 0.509759E-05 -0.153170E-05 19 0.60519283 0.60519267 -0.378276E-05 0.509759E-05 20 0.60519276 0.60519267 -0.756553E-05 0.509759E-05 21 0.60519272 0.60519276 -0.101143E-04 0.509759E-05 22 0.60519274 0.60519272 -0.883992E-05 0.509759E-05 23 0.60519273 0.60519274 -0.947712E-05 0.509759E-05 24 0.60519273 0.60519273 -0.915852E-05 0.509759E-05 25 0.60519273 0.60519273 -0.931782E-05 0.509759E-05 26 0.60519273 0.60519273 -0.923817E-05 0.509759E-05 27 0.60519273 0.60519273 -0.927800E-05 0.509759E-05 28 0.60519273 0.60519273 -0.925809E-05 0.509759E-05 29 0.60519273 0.60519273 -0.926804E-05 0.509759E-05 30 0.60519273 0.60519273 -0.926380E-05 0.509759E-05 Absolute convergence of the X interval. Difference in EF= -0.0000018434 EF set to : 8.2340658605 new EF (no-mixing): 8.2340658605 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 51 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 Sum of eigenvalues= -1041.96644282817 eV Ratio to renormalize= 1.00000014263691 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23406586045975 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 7) Finished k-point number 15 1 with #bands= 34 6) Finished k-point number 13 1 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 5) Finished k-point number 11 1 with #bands= 33 5) Finished k-point number 12 2 with #bands= 32 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 7) Finished k-point number 16 2 with #bands= 33 2) Finished k-point number 5 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 1) Finished k-point number 4 2 with #bands= 30 0) Finished k-point number 1 1 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 0) Finished k-point number 2 2 with #bands= 34 24) Finished k-point number 49 1 with #bands= 33 25) Finished k-point number 51 1 with #bands= 34 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 10) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 16) Finished k-point number 33 1 with #bands= 34 17) Finished k-point number 36 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 37 1 with #bands= 34 19) Finished k-point number 39 1 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 40 2 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 15) Finished k-point number 31 1 with #bands= 31 14) Finished k-point number 29 1 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 12) Finished k-point number 25 1 with #bands= 34 21) Finished k-point number 44 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 15) Finished k-point number 32 2 with #bands= 30 12) Finished k-point number 26 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 28) Finished k-point number 57 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947289915304264 0.927026679911170 0.949860790834615 0.938311634177299 0.948448230334756 0.947289915304264 0.927026679911170 0.949860790834615 0.938311634177299 0.948448230334756 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 1) Finished k-point number 3 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 5) Finished k-point number 11 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 1) Finished k-point number 4 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 34) Finished k-point number 70 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 35) Finished k-point number 72 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 5) Finished k-point number 12 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 21) Finished k-point number 44 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23406586045975 Density= 68.0000424438215 EF 7.96195202834617 Density= 66.6441694469891 Brent's Method Step XA XB F(XA) F(XB) 0 0.60519273 0.58519273 0.424439E-04 -1.35583 1 0.60519211 0.58519273 0.669481E-05 -1.35583 2 0.60519199 0.58519273 0.313349E-10 -1.35583 Absolute convergence of |F(X)|. Difference in EF= -0.0000101134 EF set to : 8.2340557471 new EF (no-mixing): 8.2340557471 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 51 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 Sum of eigenvalues= -1041.96679403578 eV Ratio to renormalize= 1.00000000634135 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23405574706273 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 1) Finished k-point number 3 1 with #bands= 32 2) Finished k-point number 5 1 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 2) Finished k-point number 6 2 with #bands= 34 5) Finished k-point number 11 1 with #bands= 33 6) Finished k-point number 13 1 with #bands= 32 4) Finished k-point number 9 1 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 7) Finished k-point number 16 2 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 22) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 24) Finished k-point number 49 1 with #bands= 33 25) Finished k-point number 51 1 with #bands= 34 24) Finished k-point number 50 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 25) Finished k-point number 52 2 with #bands= 32 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 28) Finished k-point number 58 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 14) Finished k-point number 29 1 with #bands= 34 15) Finished k-point number 32 2 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 14) Finished k-point number 30 2 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 19) Finished k-point number 39 1 with #bands= 32 18) Finished k-point number 37 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947289967424502 0.927026622692498 0.949860952770486 0.938311898336771 0.948448147413920 0.947289967424502 0.927026622692497 0.949860952770486 0.938311898336771 0.948448147413920 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 5) Finished k-point number 11 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 31) Finished k-point number 63 1 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 3) Finished k-point number 8 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 5) Finished k-point number 12 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 36) Finished k-point number 74 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 12) Finished k-point number 26 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 32) Finished k-point number 66 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 25) Finished k-point number 52 2 with #bands= 32 EF 8.23405574706273 Density= 67.9999994988855 EF 8.50616957917631 Density= 69.0562867689862 Brent's Method Step XA XB F(XA) F(XB) 0 0.62519199 0.60519199 1.05629 -0.501015E-06 1 0.61519199 0.60519201 0.535237 -0.501015E-06 2 0.61019200 0.60519176 0.280505 -0.501015E-06 3 0.60769188 0.60519188 0.142157 -0.501014E-06 4 0.60644188 0.60519182 0.712941E-01 -0.501014E-06 5 0.60581685 0.60519209 0.356676E-01 -0.501014E-06 6 0.60550447 0.60519172 0.178402E-01 -0.501014E-06 7 0.60534809 0.60519214 0.891276E-02 -0.501014E-06 8 0.60527012 0.60519217 0.446067E-02 -0.501014E-06 9 0.60523114 0.60519192 0.223526E-02 -0.501015E-06 10 0.60521153 0.60519204 0.111535E-02 -0.501015E-06 11 0.60520179 0.60519198 0.558976E-03 -0.501014E-06 12 0.60519688 0.60519177 0.278994E-03 -0.501014E-06 13 0.60519433 0.60519212 0.133093E-03 -0.501014E-06 14 0.60519322 0.60519194 0.699047E-04 -0.501014E-06 15 0.60519258 0.60519179 0.334294E-04 -0.501014E-06 16 0.60519219 0.60519211 0.108252E-04 -0.501014E-06 17 0.60519215 0.60519171 0.851338E-05 -0.501014E-06 18 0.60519193 0.60519171 -0.394463E-05 0.851338E-05 19 0.60519186 0.60519171 -0.788925E-05 0.851338E-05 20 0.60519178 0.60519171 -0.121459E-04 0.851338E-05 21 0.60519175 0.60519178 -0.142743E-04 0.851339E-05 22 0.60519177 0.60519175 -0.132101E-04 0.851338E-05 23 0.60519176 0.60519177 -0.137422E-04 0.851338E-05 24 0.60519176 0.60519176 -0.134762E-04 0.851339E-05 25 0.60519176 0.60519176 -0.136092E-04 0.851338E-05 26 0.60519176 0.60519176 -0.135427E-04 0.851338E-05 27 0.60519176 0.60519176 -0.135759E-04 0.851338E-05 28 0.60519176 0.60519176 -0.135593E-04 0.851338E-05 29 0.60519176 0.60519176 -0.135676E-04 0.851339E-05 30 0.60519176 0.60519176 -0.135650E-04 0.851338E-05 Absolute convergence of the X interval. Difference in EF= -0.0000031134 EF set to : 8.2340526336 new EF (no-mixing): 8.2340526336 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 51 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 Sum of eigenvalues= -1041.96698254949 eV Ratio to renormalize= 1.00000020586538 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23405263363062 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 5) Finished k-point number 11 1 with #bands= 33 5) Finished k-point number 12 2 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 3) Finished k-point number 7 1 with #bands= 33 1) Finished k-point number 3 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 3) Finished k-point number 8 2 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 1) Finished k-point number 4 2 with #bands= 30 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 13) Finished k-point number 27 1 with #bands= 30 14) Finished k-point number 30 2 with #bands= 32 13) Finished k-point number 28 2 with #bands= 30 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 25) Finished k-point number 51 1 with #bands= 34 15) Finished k-point number 31 1 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 10) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 25) Finished k-point number 52 2 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 15) Finished k-point number 32 2 with #bands= 30 26) Finished k-point number 53 1 with #bands= 31 24) Finished k-point number 50 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 17) Finished k-point number 35 1 with #bands= 31 16) Finished k-point number 33 1 with #bands= 34 17) Finished k-point number 36 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 31) Finished k-point number 63 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947289953442097 0.927026962077869 0.949860876433865 0.938311829402708 0.948448282020102 0.947289953442097 0.927026962077869 0.949860876433865 0.938311829402708 0.948448282020102 13) Finished k-point number 27 1 with #bands= 30 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 1) Finished k-point number 3 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 14) Finished k-point number 29 1 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 5) Finished k-point number 11 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 1) Finished k-point number 4 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 24) Finished k-point number 50 2 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 14) Finished k-point number 30 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 36) Finished k-point number 74 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 21) Finished k-point number 44 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 16) Finished k-point number 34 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23405263363062 Density= 67.9999343928131 EF 8.50616646574420 Density= 69.0562328254219 Brent's Method Step XA XB F(XA) F(XB) 0 0.62519176 0.60519176 1.05623 -0.656071E-04 1 0.61519176 0.60519178 0.535185 -0.656071E-04 2 0.61019177 0.60519201 0.280444 -0.656071E-04 3 0.60769189 0.60519213 0.142106 -0.656071E-04 4 0.60644201 0.60519183 0.712493E-01 -0.656071E-04 5 0.60581692 0.60519174 0.356194E-01 -0.656071E-04 6 0.60550433 0.60519179 0.177801E-01 -0.656071E-04 7 0.60534806 0.60519200 0.885868E-02 -0.656071E-04 8 0.60527003 0.60519213 0.440363E-02 -0.656071E-04 9 0.60523108 0.60519183 0.217971E-02 -0.656071E-04 10 0.60521146 0.60519198 0.105906E-02 -0.656071E-04 11 0.60520172 0.60519191 0.503067E-03 -0.656071E-04 12 0.60519681 0.60519218 0.222901E-03 -0.656071E-04 13 0.60519450 0.60519204 0.907075E-04 -0.656071E-04 14 0.60519327 0.60519211 0.206656E-04 -0.656071E-04 15 0.60519297 0.60519211 0.329302E-05 -0.656071E-04 16 0.60519291 0.60519211 0.230984E-06 -0.656071E-04 17 0.60519291 0.60519211 0.338309E-08 -0.656071E-04 18 0.60519291 0.60519291 -0.232694E-08 0.338309E-08 19 0.60519291 0.60519291 0.338309E-08 -0.232694E-08 20 0.60519291 0.60519291 0.338309E-08 -0.232694E-08 Absolute convergence of the X interval. Difference in EF= 0.0000156334 EF set to : 8.2340682670 new EF (no-mixing): 8.2340682670 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 51 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 Sum of eigenvalues= -1041.96637078195 eV Ratio to renormalize= 1.00000000629244 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23406826698661 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 4) Finished k-point number 9 1 with #bands= 31 5) Finished k-point number 11 1 with #bands= 33 5) Finished k-point number 12 2 with #bands= 32 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 1) Finished k-point number 4 2 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 0) Finished k-point number 2 2 with #bands= 34 3) Finished k-point number 8 2 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 20) Finished k-point number 41 1 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 6) Finished k-point number 13 1 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 35) Finished k-point number 71 1 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 16) Finished k-point number 34 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 14) Finished k-point number 29 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 14) Finished k-point number 30 2 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 19) Finished k-point number 40 2 with #bands= 33 15) Finished k-point number 32 2 with #bands= 30 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 9) Finished k-point number 19 1 with #bands= 31 10) Finished k-point number 21 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 9) Finished k-point number 20 2 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 29) Finished k-point number 60 2 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 26) Finished k-point number 53 1 with #bands= 31 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 51 1 with #bands= 34 26) Finished k-point number 54 2 with #bands= 31 25) Finished k-point number 52 2 with #bands= 32 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947289965381065 0.927027044095671 0.949860946735585 0.938311939346167 0.948448254847304 0.947289965381065 0.927027044095671 0.949860946735585 0.938311939346167 0.948448254847304 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 22) Finished k-point number 45 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 5) Finished k-point number 11 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 37) Finished k-point number 75 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 14) Finished k-point number 30 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 11) Finished k-point number 24 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 21) Finished k-point number 44 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23406826698661 Density= 67.9999805335541 EF 8.50618209910019 Density= 69.0562866824177 Brent's Method Step XA XB F(XA) F(XB) 0 0.62519291 0.60519291 1.05629 -0.194663E-04 1 0.61519291 0.60519293 0.535227 -0.194664E-04 2 0.61019292 0.60519268 0.280489 -0.194664E-04 3 0.60769280 0.60519280 0.142139 -0.194663E-04 4 0.60644280 0.60519274 0.712753E-01 -0.194664E-04 5 0.60581777 0.60519301 0.356486E-01 -0.194664E-04 6 0.60550539 0.60519312 0.178212E-01 -0.194664E-04 7 0.60534925 0.60519306 0.890740E-02 -0.194663E-04 8 0.60527116 0.60519285 0.444851E-02 -0.194663E-04 9 0.60523200 0.60519296 0.221289E-02 -0.194663E-04 10 0.60521248 0.60519290 0.109808E-02 -0.194664E-04 11 0.60520269 0.60519293 0.539159E-03 -0.194664E-04 12 0.60519781 0.60519268 0.260454E-03 -0.194664E-04 13 0.60519524 0.60519304 0.113915E-03 -0.194663E-04 14 0.60519414 0.60519286 0.510457E-04 -0.194664E-04 15 0.60519350 0.60519271 0.144109E-04 -0.194664E-04 16 0.60519317 0.60519350 -0.435398E-05 0.144109E-04 17 0.60519325 0.60519317 0.426326E-12 -0.435398E-05 Absolute convergence of |F(X)|. Difference in EF= 0.0000046383 EF set to : 8.2340729053 new EF (no-mixing): 8.2340729053 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 51 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 Sum of eigenvalues= -1041.96629108616 eV Ratio to renormalize= 1.00000000634186 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23407290531784 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 0) Finished k-point number 1 1 with #bands= 34 1) Finished k-point number 3 1 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 1) Finished k-point number 4 2 with #bands= 30 4) Finished k-point number 9 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 5) Finished k-point number 11 1 with #bands= 33 2) Finished k-point number 5 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 6) Finished k-point number 14 2 with #bands= 31 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 2) Finished k-point number 6 2 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 21) Finished k-point number 43 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 36) Finished k-point number 74 2 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 30) Finished k-point number 61 1 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 30) Finished k-point number 62 2 with #bands= 32 16) Finished k-point number 34 2 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 25) Finished k-point number 51 1 with #bands= 34 26) Finished k-point number 53 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 13) Finished k-point number 27 1 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 14) Finished k-point number 29 1 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947289995430839 0.927027334696487 0.949861067572659 0.938312133884481 0.948448244005808 0.947289995430839 0.927027334696487 0.949861067572659 0.938312133884481 0.948448244005808 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 9) Finished k-point number 19 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 11) Finished k-point number 23 1 with #bands= 33 26) Finished k-point number 53 1 with #bands= 31 3) Finished k-point number 7 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 37) Finished k-point number 75 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 5) Finished k-point number 11 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 24) Finished k-point number 50 2 with #bands= 31 14) Finished k-point number 30 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 2) Finished k-point number 6 2 with #bands= 34 30) Finished k-point number 62 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 12) Finished k-point number 26 2 with #bands= 32 25) Finished k-point number 52 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23407290531784 Density= 67.9999463789756 EF 8.50618673743142 Density= 69.0562769633026 Brent's Method Step XA XB F(XA) F(XB) 0 0.62519325 0.60519325 1.05628 -0.536209E-04 1 0.61519325 0.60519327 0.535207 -0.536209E-04 2 0.61019326 0.60519350 0.280461 -0.536209E-04 3 0.60769338 0.60519314 0.142120 -0.536209E-04 4 0.60644326 0.60519332 0.712488E-01 -0.536209E-04 5 0.60581829 0.60519347 0.356251E-01 -0.536209E-04 6 0.60550588 0.60519316 0.177957E-01 -0.536209E-04 7 0.60534952 0.60519355 0.886908E-02 -0.536209E-04 8 0.60527154 0.60519359 0.441652E-02 -0.536209E-04 9 0.60523257 0.60519334 0.219130E-02 -0.536209E-04 10 0.60521295 0.60519346 0.107128E-02 -0.536209E-04 11 0.60520321 0.60519340 0.514954E-03 -0.536209E-04 12 0.60519830 0.60519319 0.234944E-03 -0.536209E-04 13 0.60519575 0.60519354 0.890551E-04 -0.536209E-04 14 0.60519464 0.60519336 0.258592E-04 -0.536209E-04 15 0.60519419 0.60519464 -0.171952E-06 0.258592E-04 16 0.60519419 0.60519419 0.142109E-13 -0.171952E-06 Absolute convergence of |F(X)|. Difference in EF= 0.0000127764 EF set to : 8.2340856817 new EF (no-mixing): 8.2340856817 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 51 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 Sum of eigenvalues= -1041.96620922021 eV Ratio to renormalize= 1.00000000634191 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23408568169230 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 3) Finished k-point number 7 1 with #bands= 33 2) Finished k-point number 5 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 3) Finished k-point number 8 2 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 1) Finished k-point number 4 2 with #bands= 30 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 5) Finished k-point number 11 1 with #bands= 34 6) Finished k-point number 13 1 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 4) Finished k-point number 9 1 with #bands= 31 5) Finished k-point number 12 2 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 26) Finished k-point number 53 1 with #bands= 31 24) Finished k-point number 49 1 with #bands= 33 25) Finished k-point number 51 1 with #bands= 34 26) Finished k-point number 54 2 with #bands= 31 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 52 2 with #bands= 32 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 10) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 12) Finished k-point number 25 1 with #bands= 34 11) Finished k-point number 23 1 with #bands= 33 12) Finished k-point number 26 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 14) Finished k-point number 29 1 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 16) Finished k-point number 33 1 with #bands= 34 17) Finished k-point number 35 1 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947391113066116 0.927058031178611 0.950681988806209 0.939141917336131 0.948839384629066 0.947391113066116 0.927058031178611 0.950681988806209 0.939141917336131 0.948839384629066 33) Finished k-point number 68 2 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 4) Finished k-point number 9 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 14) Finished k-point number 29 1 with #bands= 34 36) Finished k-point number 73 1 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 14) Finished k-point number 30 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 11) Finished k-point number 24 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 2) Finished k-point number 6 2 with #bands= 34 33) Finished k-point number 68 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 21) Finished k-point number 44 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 12) Finished k-point number 26 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23408568169230 Density= 67.9964702201838 EF 8.50619951380588 Density= 69.0518186749295 Brent's Method Step XA XB F(XA) F(XB) 0 0.62519419 0.60519419 1.05182 -0.352978E-02 1 0.61519419 0.60519421 0.532885 -0.352978E-02 2 0.61019420 0.60519444 0.277523 -0.352978E-02 3 0.60769432 0.60519456 0.138825 -0.352978E-02 4 0.60644444 0.60519426 0.678597E-01 -0.352978E-02 5 0.60581935 0.60519417 0.321901E-01 -0.352978E-02 6 0.60550676 0.60519422 0.143331E-01 -0.352978E-02 7 0.60535049 0.60519443 0.540304E-02 -0.352978E-02 8 0.60527246 0.60519456 0.943725E-03 -0.352978E-02 9 0.60525601 0.60519456 0.334687E-05 -0.352978E-02 10 0.60525595 0.60519456 0.426768E-08 -0.352978E-02 11 0.60525595 0.60525595 -0.144760E-08 0.426768E-08 12 0.60525595 0.60525595 0.426768E-08 -0.144760E-08 13 0.60525595 0.60525595 0.426768E-08 -0.144760E-08 Absolute convergence of the X interval. Difference in EF= 0.0008402756 EF set to : 8.2349259573 new EF (no-mixing): 8.2349259573 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 51 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 Sum of eigenvalues= -1041.95593124287 eV Ratio to renormalize= 1.00000000630749 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23492595732875 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 0) Finished k-point number 1 1 with #bands= 34 1) Finished k-point number 3 1 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 1) Finished k-point number 4 2 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 14) Finished k-point number 29 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 15) Finished k-point number 31 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 15) Finished k-point number 32 2 with #bands= 30 13) Finished k-point number 27 1 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 31) Finished k-point number 63 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 30) Finished k-point number 62 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 4) Finished k-point number 9 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 4) Finished k-point number 10 2 with #bands= 31 5) Finished k-point number 11 1 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 51 1 with #bands= 34 26) Finished k-point number 53 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 8) Finished k-point number 17 1 with #bands= 32 27) Finished k-point number 56 2 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 32) Finished k-point number 65 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 10) Finished k-point number 21 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 9) Finished k-point number 20 2 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947391106688897 0.927057926299048 0.950681981913308 0.939142541340876 0.948838801149807 0.947391106688897 0.927057926299048 0.950681981913308 0.939142541340876 0.948838801149807 2) Finished k-point number 5 1 with #bands= 31 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 0) Finished k-point number 1 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 32) Finished k-point number 65 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 33) Finished k-point number 67 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 1) Finished k-point number 4 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 14) Finished k-point number 30 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 2) Finished k-point number 6 2 with #bands= 34 28) Finished k-point number 58 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 33) Finished k-point number 68 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23492595732875 Density= 67.9997932342578 EF 8.50703978944233 Density= 69.0551168048789 Brent's Method Step XA XB F(XA) F(XB) 0 0.62525595 0.60525595 1.05512 -0.206766E-03 1 0.61525595 0.60525597 0.535721 -0.206766E-03 2 0.61025596 0.60525572 0.280697 -0.206766E-03 3 0.60775584 0.60525584 0.142107 -0.206766E-03 4 0.60650584 0.60525578 0.711596E-01 -0.206766E-03 5 0.60588081 0.60525605 0.354968E-01 -0.206766E-03 6 0.60556843 0.60525568 0.176517E-01 -0.206766E-03 7 0.60541205 0.60525563 0.871541E-02 -0.206766E-03 8 0.60533384 0.60525565 0.424525E-02 -0.206766E-03 9 0.60529475 0.60525564 0.201079E-02 -0.206766E-03 10 0.60527519 0.60525564 0.893169E-03 -0.206766E-03 11 0.60526542 0.60525564 0.334535E-03 -0.206766E-03 12 0.60526053 0.60525588 0.551243E-04 -0.206766E-03 13 0.60525958 0.60525588 0.539379E-06 -0.206766E-03 14 0.60525957 0.60525958 -0.208210E-08 0.539379E-06 15 0.60525957 0.60525957 0.363376E-08 -0.208210E-08 16 0.60525957 0.60525957 0.363376E-08 -0.208210E-08 Absolute convergence of the X interval. Difference in EF= 0.0000492184 EF set to : 8.2349751757 new EF (no-mixing): 8.2349751757 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 51 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 Sum of eigenvalues= -1041.95022543619 eV Ratio to renormalize= 1.00000000631737 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23497517570216 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 5) Finished k-point number 11 1 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 9) Finished k-point number 19 1 with #bands= 31 8) Finished k-point number 17 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 17) Finished k-point number 35 1 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 25) Finished k-point number 51 1 with #bands= 34 24) Finished k-point number 49 1 with #bands= 33 27) Finished k-point number 55 1 with #bands= 30 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 26) Finished k-point number 53 1 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 25) Finished k-point number 52 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 3) Finished k-point number 8 2 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 1) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 4 2 with #bands= 30 0) Finished k-point number 2 2 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 13) Finished k-point number 27 1 with #bands= 30 29) Finished k-point number 59 1 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 15) Finished k-point number 31 1 with #bands= 31 14) Finished k-point number 30 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 13) Finished k-point number 28 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 28) Finished k-point number 58 2 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947391012548760 0.927054943276487 0.950681360405914 0.939141964967786 0.948837576656530 0.947391012548760 0.927054943276487 0.950681360405914 0.939141964967786 0.948837576656531 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 26) Finished k-point number 53 1 with #bands= 31 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 31) Finished k-point number 63 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 24) Finished k-point number 50 2 with #bands= 31 14) Finished k-point number 30 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 2) Finished k-point number 6 2 with #bands= 34 35) Finished k-point number 72 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 0) Finished k-point number 2 2 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23497517570216 Density= 68.0003269167853 EF 7.96286134358858 Density= 66.6433245660573 Brent's Method Step XA XB F(XA) F(XB) 0 0.60525957 0.58525957 0.326917E-03 -1.35668 1 0.60525475 0.58525957 0.514892E-04 -1.35668 2 0.60525385 0.58525957 0.183871E-08 -1.35668 3 0.60525385 0.60525385 -0.387769E-08 0.183871E-08 4 0.60525385 0.60525385 -0.387769E-08 0.183871E-08 Absolute convergence of the X interval. Difference in EF= -0.0000778112 EF set to : 8.2348973645 new EF (no-mixing): 8.2348973645 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 51 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 Sum of eigenvalues= -1041.94551170256 eV Ratio to renormalize= 1.00000000642455 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23489736450850 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 1) Finished k-point number 3 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 1) Finished k-point number 4 2 with #bands= 30 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 5) Finished k-point number 11 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 6) Finished k-point number 13 1 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 16) Finished k-point number 33 1 with #bands= 34 17) Finished k-point number 35 1 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 9) Finished k-point number 19 1 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 12) Finished k-point number 25 1 with #bands= 34 13) Finished k-point number 27 1 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 12) Finished k-point number 26 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 14) Finished k-point number 29 1 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 32 2 with #bands= 30 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 25) Finished k-point number 51 1 with #bands= 34 27) Finished k-point number 55 1 with #bands= 30 25) Finished k-point number 52 2 with #bands= 32 27) Finished k-point number 56 2 with #bands= 33 26) Finished k-point number 53 1 with #bands= 31 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 32) Finished k-point number 65 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947391344977135 0.927051763638173 0.950681263632325 0.939141839668672 0.948836256704056 0.947391344977135 0.927051763638173 0.950681263632325 0.939141839668672 0.948836256704056 32) Finished k-point number 66 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 26) Finished k-point number 53 1 with #bands= 31 22) Finished k-point number 45 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 14) Finished k-point number 30 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 21) Finished k-point number 44 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 12) Finished k-point number 26 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23489736450850 Density= 68.0006154895901 EF 7.96278353239492 Density= 66.6437034747471 Brent's Method Step XA XB F(XA) F(XB) 0 0.60525385 0.58525385 0.615490E-03 -1.35630 1 0.60524477 0.58525385 0.968277E-04 -1.35630 2 0.60524308 0.58525385 0.649146E-08 -1.35630 3 0.60524308 0.58525385 0.568434E-13 -1.35630 Absolute convergence of |F(X)|. Difference in EF= -0.0001464724 EF set to : 8.2347508921 new EF (no-mixing): 8.2347508921 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 51 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 Sum of eigenvalues= -1041.94635068805 eV Ratio to renormalize= 1.00000000636716 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23475089211824 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 2) Finished k-point number 5 1 with #bands= 31 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 2) Finished k-point number 6 2 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 1) Finished k-point number 3 1 with #bands= 32 3) Finished k-point number 8 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 14) Finished k-point number 29 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 6) Finished k-point number 13 1 with #bands= 32 5) Finished k-point number 11 1 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 4) Finished k-point number 9 1 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 4) Finished k-point number 10 2 with #bands= 31 7) Finished k-point number 16 2 with #bands= 33 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 9) Finished k-point number 19 1 with #bands= 31 8) Finished k-point number 17 1 with #bands= 32 15) Finished k-point number 32 2 with #bands= 30 9) Finished k-point number 20 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 11) Finished k-point number 23 1 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 30) Finished k-point number 62 2 with #bands= 32 25) Finished k-point number 51 1 with #bands= 34 24) Finished k-point number 49 1 with #bands= 33 25) Finished k-point number 52 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 26) Finished k-point number 53 1 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947391538245456 0.927053664359137 0.950681670885242 0.939142844171577 0.948836875802261 0.947391538245456 0.927053664359137 0.950681670885242 0.939142844171577 0.948836875802261 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 11) Finished k-point number 23 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 9) Finished k-point number 20 2 with #bands= 33 14) Finished k-point number 30 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 29) Finished k-point number 60 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 2) Finished k-point number 6 2 with #bands= 34 28) Finished k-point number 58 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 16) Finished k-point number 34 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 0) Finished k-point number 2 2 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 18) Finished k-point number 38 2 with #bands= 31 EF 8.23475089211824 Density= 67.9998192087920 EF 8.50686472423182 Density= 69.0551773421975 Brent's Method Step XA XB F(XA) F(XB) 0 0.62524308 0.60524308 1.05518 -0.180791E-03 1 0.61524308 0.60524310 0.535771 -0.180791E-03 2 0.61024309 0.60524285 0.280763 -0.180791E-03 3 0.60774297 0.60524298 0.142163 -0.180791E-03 4 0.60649297 0.60524291 0.712030E-01 -0.180791E-03 5 0.60586794 0.60524318 0.355320E-01 -0.180791E-03 6 0.60555556 0.60524281 0.176824E-01 -0.180791E-03 7 0.60539919 0.60524276 0.874378E-02 -0.180791E-03 8 0.60532097 0.60524278 0.427243E-02 -0.180791E-03 9 0.60528188 0.60524277 0.203737E-02 -0.180791E-03 10 0.60526232 0.60524278 0.919442E-03 -0.180791E-03 11 0.60525255 0.60524277 0.360657E-03 -0.180791E-03 12 0.60524766 0.60524301 0.811699E-04 -0.180791E-03 13 0.60524625 0.60524301 0.545960E-06 -0.180791E-03 14 0.60524624 0.60524625 -0.354777E-08 0.545960E-06 15 0.60524624 0.60524624 0.216957E-08 -0.354777E-08 16 0.60524624 0.60524624 -0.354777E-08 0.216957E-08 17 0.60524624 0.60524624 -0.354777E-08 0.216957E-08 Absolute convergence of the X interval. Difference in EF= 0.0000430221 EF set to : 8.2347939142 new EF (no-mixing): 8.2347939142 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 51 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 Sum of eigenvalues= -1041.94804438819 eV Ratio to renormalize= 1.00000000641969 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23479391424044 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 4 2 with #bands= 30 2) Finished k-point number 6 2 with #bands= 34 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 4) Finished k-point number 9 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 5) Finished k-point number 11 1 with #bands= 34 4) Finished k-point number 10 2 with #bands= 31 5) Finished k-point number 12 2 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 10) Finished k-point number 21 1 with #bands= 32 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 12) Finished k-point number 25 1 with #bands= 34 13) Finished k-point number 27 1 with #bands= 30 15) Finished k-point number 31 1 with #bands= 31 13) Finished k-point number 28 2 with #bands= 30 12) Finished k-point number 26 2 with #bands= 32 15) Finished k-point number 32 2 with #bands= 30 14) Finished k-point number 29 1 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 35) Finished k-point number 71 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947391556236398 0.927053654036888 0.950681583696729 0.939142560874855 0.948837261405623 0.947391556236398 0.927053654036888 0.950681583696729 0.939142560874855 0.948837261405623 26) Finished k-point number 53 1 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 25) Finished k-point number 51 1 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 28) Finished k-point number 57 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 17) Finished k-point number 36 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 2) Finished k-point number 6 2 with #bands= 34 24) Finished k-point number 50 2 with #bands= 31 28) Finished k-point number 58 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 0) Finished k-point number 2 2 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23479391424044 Density= 68.0002795885161 EF 7.96268008212686 Density= 66.6431880694314 Brent's Method Step XA XB F(XA) F(XB) 0 0.60524624 0.58524624 0.279589E-03 -1.35681 1 0.60524212 0.58524624 0.440181E-04 -1.35681 2 0.60524135 0.58524624 0.134237E-08 -1.35681 3 0.60524135 0.60524135 -0.437483E-08 0.134237E-08 4 0.60524135 0.60524135 -0.437483E-08 0.134237E-08 Absolute convergence of the X interval. Difference in EF= -0.0000665374 EF set to : 8.2347273768 new EF (no-mixing): 8.2347273768 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 51 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 Sum of eigenvalues= -1041.95250172348 eV Ratio to renormalize= 1.00000000643235 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23472737679843 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 1) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 4 2 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 4) Finished k-point number 9 1 with #bands= 31 5) Finished k-point number 11 1 with #bands= 34 4) Finished k-point number 10 2 with #bands= 31 5) Finished k-point number 12 2 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 15) Finished k-point number 31 1 with #bands= 31 14) Finished k-point number 29 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 14) Finished k-point number 30 2 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 16) Finished k-point number 33 1 with #bands= 34 17) Finished k-point number 36 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 18) Finished k-point number 37 1 with #bands= 34 19) Finished k-point number 40 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 51 1 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 10) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 23) Finished k-point number 48 2 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947391445813434 0.927053176084619 0.950681408789239 0.939142078761940 0.948837264622841 0.947391445813434 0.927053176084619 0.950681408789239 0.939142078761940 0.948837264622841 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 20) Finished k-point number 41 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 22) Finished k-point number 45 1 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 36) Finished k-point number 73 1 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 5) Finished k-point number 11 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 14) Finished k-point number 30 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 19) Finished k-point number 40 2 with #bands= 33 36) Finished k-point number 74 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 2) Finished k-point number 6 2 with #bands= 34 23) Finished k-point number 48 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 32) Finished k-point number 66 2 with #bands= 32 16) Finished k-point number 34 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 0) Finished k-point number 2 2 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23472737679843 Density= 68.0002438099584 EF 7.96261354468485 Density= 66.6431593500387 Brent's Method Step XA XB F(XA) F(XB) 0 0.60524135 0.58524135 0.243810E-03 -1.35684 1 0.60523776 0.58524135 0.383900E-04 -1.35684 2 0.60523709 0.58524135 0.102098E-08 -1.35684 3 0.60523709 0.60523709 -0.469602E-08 0.102098E-08 4 0.60523709 0.60523709 -0.469602E-08 0.102098E-08 Absolute convergence of the X interval. Difference in EF= -0.0000580246 EF set to : 8.2346693522 new EF (no-mixing): 8.2346693522 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 51 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 Sum of eigenvalues= -1041.95482480864 eV Ratio to renormalize= 1.00000000643628 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23466935215889 sumw= 729.000000000000 3) Finished k-point number 7 1 with #bands= 33 1) Finished k-point number 3 1 with #bands= 32 3) Finished k-point number 8 2 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 beta....= 99.9999999999998 n0_om...= 201 2) Finished k-point number 6 2 with #bands= 34 4) Finished k-point number 9 1 with #bands= 31 0) Finished k-point number 1 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 6) Finished k-point number 13 1 with #bands= 32 5) Finished k-point number 11 1 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 4) Finished k-point number 10 2 with #bands= 31 7) Finished k-point number 16 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 0) Finished k-point number 2 2 with #bands= 34 22) Finished k-point number 45 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 11) Finished k-point number 23 1 with #bands= 33 10) Finished k-point number 21 1 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 18) Finished k-point number 37 1 with #bands= 34 13) Finished k-point number 27 1 with #bands= 30 21) Finished k-point number 43 1 with #bands= 33 15) Finished k-point number 32 2 with #bands= 30 14) Finished k-point number 30 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 13) Finished k-point number 28 2 with #bands= 30 19) Finished k-point number 40 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 27) Finished k-point number 55 1 with #bands= 30 25) Finished k-point number 51 1 with #bands= 34 26) Finished k-point number 53 1 with #bands= 31 23) Finished k-point number 47 1 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 27) Finished k-point number 56 2 with #bands= 33 25) Finished k-point number 52 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 33) Finished k-point number 68 2 with #bands= 33 36) Finished k-point number 74 2 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 28) Finished k-point number 57 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 30) Finished k-point number 62 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947391446295297 0.927053524944298 0.950681481307940 0.939142269843103 0.948837329953795 0.947391446295297 0.927053524944298 0.950681481307940 0.939142269843103 0.948837329953795 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 1) Finished k-point number 3 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 22) Finished k-point number 45 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 14) Finished k-point number 29 1 with #bands= 34 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 5) Finished k-point number 11 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 11) Finished k-point number 23 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 4) Finished k-point number 10 2 with #bands= 31 13) Finished k-point number 28 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 1) Finished k-point number 4 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 14) Finished k-point number 30 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 19) Finished k-point number 40 2 with #bands= 33 36) Finished k-point number 74 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 22) Finished k-point number 46 2 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 21) Finished k-point number 44 2 with #bands= 33 12) Finished k-point number 26 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23466935215889 Density= 67.9884889830905 EF 8.50678318427248 Density= 69.0452689854170 Brent's Method Step XA XB F(XA) F(XB) 0 0.62523709 0.60523709 1.04527 -0.115110E-01 1 0.61523709 0.60523711 0.523246 -0.115110E-01 2 0.61023710 0.60523734 0.267453 -0.115110E-01 3 0.60773722 0.60523746 0.129799 -0.115110E-01 4 0.60648734 0.60523716 0.594321E-01 -0.115110E-01 5 0.60586225 0.60523707 0.240144E-01 -0.115110E-01 6 0.60554966 0.60523712 0.626285E-02 -0.115110E-01 7 0.60543949 0.60523712 0.565875E-06 -0.115110E-01 8 0.60543948 0.60523712 0.251958E-10 -0.115110E-01 Absolute convergence of |F(X)|. Difference in EF= 0.0027536292 EF set to : 8.2374229814 new EF (no-mixing): 8.2374229814 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 50 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 Sum of eigenvalues= -1041.92131274097 eV Ratio to renormalize= 1.00000000608507 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23742298136860 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 1) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 4 2 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 0) Finished k-point number 1 1 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 2 2 with #bands= 34 2) Finished k-point number 6 2 with #bands= 34 3) Finished k-point number 8 2 with #bands= 31 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 5) Finished k-point number 11 1 with #bands= 34 6) Finished k-point number 13 1 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 15) Finished k-point number 31 1 with #bands= 31 14) Finished k-point number 29 1 with #bands= 34 13) Finished k-point number 27 1 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 12) Finished k-point number 26 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 32 2 with #bands= 30 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 10) Finished k-point number 21 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 8) Finished k-point number 17 1 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 30) Finished k-point number 61 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 27) Finished k-point number 55 1 with #bands= 30 25) Finished k-point number 51 1 with #bands= 34 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947391484486556 0.927053242481057 0.950681468091255 0.939142276679878 0.948837177467514 0.947391484486556 0.927053242481057 0.950681468091255 0.939142276679878 0.948837177467514 27) Finished k-point number 56 2 with #bands= 33 26) Finished k-point number 53 1 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 25) Finished k-point number 52 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 1) Finished k-point number 3 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 14) Finished k-point number 29 1 with #bands= 34 26) Finished k-point number 53 1 with #bands= 31 36) Finished k-point number 73 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 5) Finished k-point number 11 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 1) Finished k-point number 4 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 14) Finished k-point number 30 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 30) Finished k-point number 62 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 33) Finished k-point number 68 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 21) Finished k-point number 44 2 with #bands= 33 0) Finished k-point number 2 2 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23742298136860 Density= 67.9999116423662 EF 8.50953681348219 Density= 69.0564902935014 Brent's Method Step XA XB F(XA) F(XB) 0 0.62543948 0.60543948 1.05649 -0.883575E-04 1 0.61543948 0.60543949 0.533014 -0.883575E-04 2 0.61043949 0.60543925 0.278271 -0.883575E-04 3 0.60793937 0.60543937 0.141018 -0.883575E-04 4 0.60668937 0.60543931 0.707649E-01 -0.883575E-04 5 0.60606434 0.60543958 0.353897E-01 -0.883575E-04 6 0.60575196 0.60543921 0.176659E-01 -0.883575E-04 7 0.60559558 0.60543963 0.878400E-02 -0.883575E-04 8 0.60551761 0.60543966 0.435291E-02 -0.883575E-04 9 0.60547863 0.60543940 0.213757E-02 -0.883575E-04 10 0.60545902 0.60543953 0.102262E-02 -0.883575E-04 11 0.60544927 0.60543947 0.468688E-03 -0.883575E-04 12 0.60544437 0.60543926 0.189925E-03 -0.883575E-04 13 0.60544182 0.60543960 0.446579E-04 -0.883575E-04 14 0.60544109 0.60543960 0.354392E-05 -0.883575E-04 15 0.60544103 0.60543960 0.930306E-07 -0.883575E-04 16 0.60544103 0.60543960 0.291479E-09 -0.883575E-04 17 0.60544103 0.60544103 -0.539387E-08 0.291479E-09 18 0.60544103 0.60544103 -0.539387E-08 0.291479E-09 Absolute convergence of the X interval. Difference in EF= 0.0000211436 EF set to : 8.2374441250 new EF (no-mixing): 8.2374441250 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 50 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 Sum of eigenvalues= -1041.91950156716 eV Ratio to renormalize= 1.00000000616539 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23744412501289 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 1) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 4 2 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 19) Finished k-point number 40 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 5) Finished k-point number 11 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 4) Finished k-point number 9 1 with #bands= 31 12) Finished k-point number 26 2 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 4) Finished k-point number 10 2 with #bands= 31 14) Finished k-point number 30 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 6) Finished k-point number 13 1 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 10) Finished k-point number 21 1 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 21) Finished k-point number 43 1 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 25) Finished k-point number 51 1 with #bands= 34 22) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947391424523366 0.927053573687182 0.950681489908322 0.939142284599347 0.948837292212075 0.947391424523366 0.927053573687182 0.950681489908322 0.939142284599347 0.948837292212074 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 15) Finished k-point number 31 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 1) Finished k-point number 3 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 37) Finished k-point number 75 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 1) Finished k-point number 4 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 17) Finished k-point number 36 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 35) Finished k-point number 72 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 2) Finished k-point number 6 2 with #bands= 34 28) Finished k-point number 58 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 21) Finished k-point number 44 2 with #bands= 33 5) Finished k-point number 12 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 31) Finished k-point number 64 2 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23744412501289 Density= 68.0000715879504 EF 7.96533029289931 Density= 66.6515252583838 Brent's Method Step XA XB F(XA) F(XB) 0 0.60544103 0.58544103 0.715881E-04 -1.34847 1 0.60543997 0.58544103 0.112271E-04 -1.34847 2 0.60543977 0.58544103 0.647304E-10 -1.34847 Absolute convergence of |F(X)|. Difference in EF= -0.0000171320 EF set to : 8.2374269930 new EF (no-mixing): 8.2374269930 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 50 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 Sum of eigenvalues= -1041.92106093925 eV Ratio to renormalize= 1.00000000608450 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23742699296404 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 0) Finished k-point number 1 1 with #bands= 34 1) Finished k-point number 3 1 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 1) Finished k-point number 4 2 with #bands= 30 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 5) Finished k-point number 11 1 with #bands= 34 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 5) Finished k-point number 12 2 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 13) Finished k-point number 27 1 with #bands= 30 12) Finished k-point number 25 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 12) Finished k-point number 26 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 31) Finished k-point number 64 2 with #bands= 34 30) Finished k-point number 62 2 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 8) Finished k-point number 17 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 9) Finished k-point number 20 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 26) Finished k-point number 53 1 with #bands= 31 32) Finished k-point number 65 1 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 25) Finished k-point number 51 1 with #bands= 34 27) Finished k-point number 56 2 with #bands= 33 25) Finished k-point number 52 2 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947391428441211 0.927053512377339 0.950681475159502 0.939142254721861 0.948837313841159 0.947391428441211 0.927053512377339 0.950681475159502 0.939142254721861 0.948837313841159 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 37) Finished k-point number 75 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 35) Finished k-point number 71 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 28) Finished k-point number 57 1 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 9) Finished k-point number 20 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 19) Finished k-point number 40 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 30) Finished k-point number 62 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 12) Finished k-point number 26 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 0) Finished k-point number 2 2 with #bands= 34 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23742699296404 Density= 68.0000193117548 EF 7.96531316085046 Density= 66.6514515821590 Brent's Method Step XA XB F(XA) F(XB) 0 0.60543977 0.58543977 0.193119E-04 -1.34855 1 0.60543948 0.58543977 0.302893E-05 -1.34855 2 0.60543943 0.58543977 0.474643E-11 -1.34855 Absolute convergence of |F(X)|. Difference in EF= -0.0000046216 EF set to : 8.2374223714 new EF (no-mixing): 8.2374223714 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 50 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 Sum of eigenvalues= -1041.92128769404 eV Ratio to renormalize= 1.00000000608592 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23742237135435 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 1) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 4 2 with #bands= 30 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 0) Finished k-point number 1 1 with #bands= 34 2) Finished k-point number 6 2 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 13) Finished k-point number 28 2 with #bands= 30 14) Finished k-point number 29 1 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 5) Finished k-point number 11 1 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 4) Finished k-point number 9 1 with #bands= 31 6) Finished k-point number 14 2 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 10) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 34) Finished k-point number 69 1 with #bands= 32 32) Finished k-point number 65 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 51 1 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947391450849060 0.927053892919439 0.950681516116538 0.939142333983067 0.948837458552941 0.947391450849060 0.927053892919439 0.950681516116538 0.939142333983067 0.948837458552941 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 22) Finished k-point number 45 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 28) Finished k-point number 57 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 4) Finished k-point number 10 2 with #bands= 31 13) Finished k-point number 28 2 with #bands= 30 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 14) Finished k-point number 30 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 16) Finished k-point number 34 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 12) Finished k-point number 26 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23742237135435 Density= 67.9999589679429 EF 8.50953620346794 Density= 69.0565555957901 Brent's Method Step XA XB F(XA) F(XB) 0 0.62543943 0.60543943 1.05656 -0.410320E-04 1 0.61543943 0.60543945 0.533061 -0.410320E-04 2 0.61043944 0.60543920 0.278316 -0.410320E-04 3 0.60793932 0.60543933 0.141064 -0.410320E-04 4 0.60668932 0.60543926 0.708111E-01 -0.410320E-04 5 0.60606429 0.60543953 0.354364E-01 -0.410320E-04 6 0.60575191 0.60543964 0.177129E-01 -0.410320E-04 7 0.60559578 0.60543959 0.884471E-02 -0.410320E-04 8 0.60551768 0.60543937 0.440693E-02 -0.410320E-04 9 0.60547853 0.60543948 0.218147E-02 -0.410319E-04 10 0.60545900 0.60543943 0.107162E-02 -0.410320E-04 11 0.60544921 0.60543945 0.515156E-03 -0.410320E-04 12 0.60544433 0.60543920 0.237669E-03 -0.410320E-04 13 0.60544177 0.60543957 0.917692E-04 -0.410320E-04 14 0.60544067 0.60543938 0.291734E-04 -0.410320E-04 15 0.60544011 0.60544067 -0.227949E-05 0.291734E-04 16 0.60544015 0.60544011 0.234479E-11 -0.227949E-05 Absolute convergence of |F(X)|. Difference in EF= 0.0000098196 EF set to : 8.2374321909 new EF (no-mixing): 8.2374321909 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 50 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 Sum of eigenvalues= -1041.92147545690 eV Ratio to renormalize= 1.00000000608570 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23743219092085 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 5) Finished k-point number 11 1 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 1) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 4 2 with #bands= 30 3) Finished k-point number 8 2 with #bands= 31 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 6) Finished k-point number 14 2 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 15) Finished k-point number 31 1 with #bands= 31 14) Finished k-point number 30 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 13) Finished k-point number 28 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 30) Finished k-point number 62 2 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 25) Finished k-point number 51 1 with #bands= 34 24) Finished k-point number 49 1 with #bands= 33 25) Finished k-point number 52 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 26) Finished k-point number 53 1 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 19) Finished k-point number 39 1 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 17) Finished k-point number 36 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947391448837453 0.927053696085548 0.950681504345701 0.939142308330934 0.948837375685783 0.947391448837453 0.927053696085548 0.950681504345701 0.939142308330934 0.948837375685783 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 17) Finished k-point number 35 1 with #bands= 31 9) Finished k-point number 19 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 26) Finished k-point number 53 1 with #bands= 31 3) Finished k-point number 7 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 36) Finished k-point number 73 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 5) Finished k-point number 11 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 24) Finished k-point number 50 2 with #bands= 31 11) Finished k-point number 24 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 22) Finished k-point number 46 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 32) Finished k-point number 66 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 25) Finished k-point number 52 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23743219092085 Density= 68.0000221551134 EF 7.96531835880726 Density= 66.6514522400900 Brent's Method Step XA XB F(XA) F(XB) 0 0.60544015 0.58544015 0.221552E-04 -1.34855 1 0.60543982 0.58544015 0.347492E-05 -1.34855 2 0.60543976 0.58544015 0.616751E-11 -1.34855 Absolute convergence of |F(X)|. Difference in EF= -0.0000053021 EF set to : 8.2374268889 new EF (no-mixing): 8.2374268889 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 50 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 Sum of eigenvalues= -1041.92137059292 eV Ratio to renormalize= 1.00000000608534 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23742688885572 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 1) Finished k-point number 3 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 1) Finished k-point number 4 2 with #bands= 30 0) Finished k-point number 2 2 with #bands= 34 13) Finished k-point number 27 1 with #bands= 30 15) Finished k-point number 31 1 with #bands= 31 14) Finished k-point number 29 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 32 2 with #bands= 30 5) Finished k-point number 11 1 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 32) Finished k-point number 65 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 17) Finished k-point number 35 1 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 25) Finished k-point number 51 1 with #bands= 34 26) Finished k-point number 53 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 13 1 with #bands= 32 7) Finished k-point number 15 1 with #bands= 34 19) Finished k-point number 39 1 with #bands= 32 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 33 1 with #bands= 34 19) Finished k-point number 40 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 7) Finished k-point number 16 2 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947391450435839 0.927053474563309 0.950681498854854 0.939142307256049 0.948837286038433 0.947391450435839 0.927053474563309 0.950681498854854 0.939142307256049 0.948837286038432 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 1) Finished k-point number 3 1 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 26) Finished k-point number 53 1 with #bands= 31 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 14) Finished k-point number 30 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 34) Finished k-point number 70 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 36) Finished k-point number 74 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 32) Finished k-point number 66 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23742688885572 Density= 68.0000255995616 EF 7.96531305674213 Density= 66.6514576493612 Brent's Method Step XA XB F(XA) F(XB) 0 0.60543976 0.58543976 0.255997E-04 -1.34854 1 0.60543938 0.58543976 0.401501E-05 -1.34854 2 0.60543931 0.58543976 0.825651E-11 -1.34854 Absolute convergence of |F(X)|. Difference in EF= -0.0000061263 EF set to : 8.2374207625 new EF (no-mixing): 8.2374207625 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 50 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 Sum of eigenvalues= -1041.92140118588 eV Ratio to renormalize= 1.00000000608553 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23742076251718 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 1) Finished k-point number 3 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 1) Finished k-point number 4 2 with #bands= 30 0) Finished k-point number 1 1 with #bands= 34 3) Finished k-point number 8 2 with #bands= 31 0) Finished k-point number 2 2 with #bands= 34 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 5) Finished k-point number 11 1 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 10) Finished k-point number 21 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 25) Finished k-point number 51 1 with #bands= 34 10) Finished k-point number 22 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 19) Finished k-point number 40 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 14) Finished k-point number 30 2 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 15) Finished k-point number 32 2 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 32) Finished k-point number 65 1 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947391448947490 0.927053490025479 0.950681474791469 0.939142272703093 0.948837322556713 0.947391448947490 0.927053490025479 0.950681474791469 0.939142272703093 0.948837322556713 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 1) Finished k-point number 3 1 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 26) Finished k-point number 53 1 with #bands= 31 0) Finished k-point number 1 1 with #bands= 34 22) Finished k-point number 45 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 14) Finished k-point number 30 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 22) Finished k-point number 46 2 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 0) Finished k-point number 2 2 with #bands= 34 32) Finished k-point number 66 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23742076251718 Density= 67.9999942225478 EF 8.50953459463076 Density= 69.0565764010869 Brent's Method Step XA XB F(XA) F(XB) 0 0.62543931 0.60543931 1.05658 -0.577735E-05 1 0.61543931 0.60543933 0.533086 -0.577735E-05 2 0.61043932 0.60543956 0.278348 -0.577735E-05 3 0.60793944 0.60543921 0.141112 -0.577735E-05 4 0.60668932 0.60543938 0.708532E-01 -0.577735E-05 5 0.60606435 0.60543953 0.354819E-01 -0.577735E-05 6 0.60575194 0.60543922 0.177567E-01 -0.577735E-05 7 0.60559558 0.60543962 0.887576E-02 -0.577735E-05 8 0.60551760 0.60543966 0.444432E-02 -0.577735E-05 9 0.60547863 0.60543940 0.222922E-02 -0.577735E-05 10 0.60545901 0.60543953 0.111419E-02 -0.577735E-05 11 0.60544927 0.60543946 0.560313E-03 -0.577735E-05 12 0.60544437 0.60543926 0.281529E-03 -0.577735E-05 13 0.60544181 0.60543960 0.136277E-03 -0.577735E-05 14 0.60544070 0.60543943 0.733566E-04 -0.577735E-05 15 0.60544007 0.60543927 0.370432E-04 -0.577735E-05 16 0.60543967 0.60543959 0.145357E-04 -0.577735E-05 17 0.60543963 0.60543919 0.122347E-04 -0.577735E-05 18 0.60543941 0.60543919 -0.169613E-06 0.122347E-04 19 0.60543941 0.60543919 -0.339225E-06 0.122347E-04 20 0.60543930 0.60543919 -0.645657E-05 0.122347E-04 21 0.60543925 0.60543919 -0.951524E-05 0.122347E-04 22 0.60543922 0.60543919 -0.110446E-04 0.122347E-04 23 0.60543921 0.60543919 -0.118092E-04 0.122347E-04 24 0.60543920 0.60543919 -0.121916E-04 0.122347E-04 25 0.60543920 0.60543919 -0.123827E-04 0.122347E-04 26 0.60543920 0.60543920 -0.124783E-04 0.122347E-04 27 0.60543920 0.60543920 -0.124305E-04 0.122347E-04 28 0.60543920 0.60543920 -0.124544E-04 0.122347E-04 29 0.60543920 0.60543920 -0.124425E-04 0.122347E-04 30 0.60543920 0.60543920 -0.124485E-04 0.122347E-04 31 0.60543920 0.60543920 -0.124482E-04 0.122347E-04 Absolute convergence of the X interval. Difference in EF= -0.0000015965 EF set to : 8.2374191660 new EF (no-mixing): 8.2374191660 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 50 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 Sum of eigenvalues= -1041.92148063455 eV Ratio to renormalize= 1.00000018915146 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23741916602958 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 1) Finished k-point number 3 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 2) Finished k-point number 6 2 with #bands= 34 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 17) Finished k-point number 35 1 with #bands= 31 16) Finished k-point number 33 1 with #bands= 34 17) Finished k-point number 36 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 37 1 with #bands= 34 19) Finished k-point number 39 1 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 40 2 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 6) Finished k-point number 13 1 with #bands= 32 5) Finished k-point number 11 1 with #bands= 34 4) Finished k-point number 9 1 with #bands= 31 6) Finished k-point number 14 2 with #bands= 31 5) Finished k-point number 12 2 with #bands= 32 4) Finished k-point number 10 2 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 8) Finished k-point number 17 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 10) Finished k-point number 21 1 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 15) Finished k-point number 31 1 with #bands= 31 14) Finished k-point number 30 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 13) Finished k-point number 28 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 51 1 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947391510756597 0.927052590389431 0.950681478432939 0.939142299736284 0.948837048164684 0.947391510756597 0.927052590389432 0.950681478432939 0.939142299736284 0.948837048164684 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 26) Finished k-point number 53 1 with #bands= 31 22) Finished k-point number 45 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 11) Finished k-point number 23 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 1) Finished k-point number 4 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 3) Finished k-point number 8 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 9) Finished k-point number 20 2 with #bands= 33 14) Finished k-point number 30 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 24) Finished k-point number 50 2 with #bands= 31 28) Finished k-point number 58 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 21) Finished k-point number 44 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23741916602958 Density= 68.0000798815898 EF 7.96530533391599 Density= 66.6515447422118 Brent's Method Step XA XB F(XA) F(XB) 0 0.60543920 0.58543920 0.798817E-04 -1.34846 1 0.60543801 0.58543920 0.125260E-04 -1.34846 2 0.60543779 0.58543920 0.804619E-10 -1.34846 Absolute convergence of |F(X)|. Difference in EF= -0.0000191165 EF set to : 8.2374000495 new EF (no-mixing): 8.2374000495 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 50 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 Sum of eigenvalues= -1041.92190558071 eV Ratio to renormalize= 1.00000000608435 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23740004954774 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 0) Finished k-point number 1 1 with #bands= 34 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 1) Finished k-point number 3 1 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 1) Finished k-point number 4 2 with #bands= 30 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 18) Finished k-point number 37 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 29) Finished k-point number 59 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 29) Finished k-point number 60 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 5) Finished k-point number 11 1 with #bands= 33 5) Finished k-point number 12 2 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 13) Finished k-point number 27 1 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 15) Finished k-point number 31 1 with #bands= 31 14) Finished k-point number 29 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 32 2 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 11) Finished k-point number 23 1 with #bands= 33 8) Finished k-point number 17 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 25) Finished k-point number 51 1 with #bands= 34 24) Finished k-point number 49 1 with #bands= 33 25) Finished k-point number 52 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 26) Finished k-point number 53 1 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 35) Finished k-point number 71 1 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947299807273723 0.926984751343396 0.949874470598642 0.938336793739937 0.948422852586656 0.947299807273723 0.926984751343396 0.949874470598642 0.938336793739937 0.948422852586656 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 2) Finished k-point number 5 1 with #bands= 31 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 26) Finished k-point number 53 1 with #bands= 31 20) Finished k-point number 41 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 22) Finished k-point number 45 1 with #bands= 32 5) Finished k-point number 11 1 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 1) Finished k-point number 4 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 17) Finished k-point number 36 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 3) Finished k-point number 8 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 11) Finished k-point number 24 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 35) Finished k-point number 72 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 21) Finished k-point number 44 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23740004954774 Density= 68.0048419164284 EF 7.96528621743416 Density= 66.6588378464589 Brent's Method Step XA XB F(XA) F(XB) 0 0.60543779 0.58543779 0.484192E-02 -1.34116 1 0.60536585 0.58543779 0.745924E-03 -1.34116 2 0.60535275 0.58543779 0.274611E-06 -1.34116 3 0.60535275 0.58543779 0.157314E-10 -1.34116 Absolute convergence of |F(X)|. Difference in EF= -0.0011570899 EF set to : 8.2362429597 new EF (no-mixing): 8.2362429597 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 50 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 Sum of eigenvalues= -1041.95790353601 eV Ratio to renormalize= 1.00000000608451 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23624295969250 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 2) Finished k-point number 5 1 with #bands= 31 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 1) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 4 2 with #bands= 30 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 19) Finished k-point number 39 1 with #bands= 32 18) Finished k-point number 37 1 with #bands= 34 17) Finished k-point number 35 1 with #bands= 31 19) Finished k-point number 40 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 30) Finished k-point number 61 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 5) Finished k-point number 11 1 with #bands= 33 5) Finished k-point number 12 2 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 6) Finished k-point number 14 2 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 7) Finished k-point number 16 2 with #bands= 33 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 25) Finished k-point number 51 1 with #bands= 34 26) Finished k-point number 53 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947299573121815 0.926986237363586 0.949874255476556 0.938336389026262 0.948423324530289 0.947299573121815 0.926986237363586 0.949874255476556 0.938336389026262 0.948423324530289 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 5) Finished k-point number 11 1 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 14) Finished k-point number 30 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 29) Finished k-point number 60 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 36) Finished k-point number 74 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23624295969250 Density= 67.9997547353238 EF 8.50835679180608 Density= 69.0571584386615 Brent's Method Step XA XB F(XA) F(XB) 0 0.62535275 0.60535275 1.05716 -0.245265E-03 1 0.61535275 0.60535276 0.532286 -0.245265E-03 2 0.61035276 0.60535252 0.278068 -0.245265E-03 3 0.60785264 0.60535264 0.140980 -0.245265E-03 4 0.60660264 0.60535258 0.706991E-01 -0.245265E-03 5 0.60597761 0.60535285 0.352842E-01 -0.245265E-03 6 0.60566523 0.60535248 0.175358E-01 -0.245265E-03 7 0.60550885 0.60535242 0.864075E-02 -0.245265E-03 8 0.60543064 0.60535245 0.418933E-02 -0.245265E-03 9 0.60539154 0.60535244 0.196377E-02 -0.245265E-03 10 0.60537199 0.60535244 0.850482E-03 -0.245264E-03 11 0.60536222 0.60535244 0.293985E-03 -0.245265E-03 12 0.60535733 0.60535268 0.156351E-04 -0.245265E-03 13 0.60535706 0.60535268 0.225452E-06 -0.245265E-03 14 0.60535705 0.60535706 -0.208445E-09 0.225452E-06 15 0.60535705 0.60535705 0.548570E-08 -0.208445E-09 16 0.60535705 0.60535705 0.548570E-08 -0.208445E-09 Absolute convergence of the X interval. Difference in EF= 0.0000586045 EF set to : 8.2363015642 new EF (no-mixing): 8.2363015642 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 50 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 Sum of eigenvalues= -1041.95700321665 eV Ratio to renormalize= 1.00000000600438 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23630156420176 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 1) Finished k-point number 3 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 1) Finished k-point number 4 2 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 2) Finished k-point number 5 1 with #bands= 31 3) Finished k-point number 7 1 with #bands= 33 2) Finished k-point number 6 2 with #bands= 34 3) Finished k-point number 8 2 with #bands= 31 4) Finished k-point number 9 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 5) Finished k-point number 11 1 with #bands= 34 4) Finished k-point number 10 2 with #bands= 31 6) Finished k-point number 14 2 with #bands= 31 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 28) Finished k-point number 58 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 14) Finished k-point number 29 1 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 20) Finished k-point number 41 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 27) Finished k-point number 55 1 with #bands= 30 26) Finished k-point number 53 1 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 25) Finished k-point number 51 1 with #bands= 34 26) Finished k-point number 54 2 with #bands= 31 24) Finished k-point number 49 1 with #bands= 33 25) Finished k-point number 52 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947394656660693 0.926990078353464 0.950680872178478 0.939142903492106 0.948816374239525 0.947394656660693 0.926990078353464 0.950680872178478 0.939142903492106 0.948816374239525 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 17) Finished k-point number 35 1 with #bands= 31 9) Finished k-point number 19 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 20) Finished k-point number 41 1 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 0) Finished k-point number 1 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 35) Finished k-point number 71 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 14) Finished k-point number 30 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 2) Finished k-point number 6 2 with #bands= 34 34) Finished k-point number 70 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 12) Finished k-point number 26 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 32) Finished k-point number 66 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23630156420176 Density= 68.0008791511497 EF 7.96418773208818 Density= 66.6531158428257 Brent's Method Step XA XB F(XA) F(XB) 0 0.60535705 0.58535705 0.879151E-03 -1.34688 1 0.60534401 0.58535705 0.136514E-03 -1.34688 2 0.60534161 0.58535705 0.903343E-08 -1.34688 3 0.60534161 0.58535705 0.127898E-12 -1.34688 Absolute convergence of |F(X)|. Difference in EF= -0.0002101287 EF set to : 8.2360914355 new EF (no-mixing): 8.2360914355 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 50 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 Sum of eigenvalues= -1041.95080649114 eV Ratio to renormalize= 1.00000000607976 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23609143553062 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 4) Finished k-point number 9 1 with #bands= 31 5) Finished k-point number 11 1 with #bands= 34 4) Finished k-point number 10 2 with #bands= 31 5) Finished k-point number 12 2 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 10) Finished k-point number 21 1 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 17) Finished k-point number 35 1 with #bands= 31 16) Finished k-point number 33 1 with #bands= 34 17) Finished k-point number 36 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 18) Finished k-point number 37 1 with #bands= 34 19) Finished k-point number 39 1 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 40 2 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 1) Finished k-point number 3 1 with #bands= 32 2) Finished k-point number 5 1 with #bands= 31 0) Finished k-point number 1 1 with #bands= 34 1) Finished k-point number 4 2 with #bands= 30 2) Finished k-point number 6 2 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 24) Finished k-point number 49 1 with #bands= 33 25) Finished k-point number 51 1 with #bands= 34 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 12) Finished k-point number 26 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 14) Finished k-point number 29 1 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947394663769677 0.926986271751809 0.950680499772680 0.939141904316144 0.948815387336064 0.947394663769677 0.926986271751809 0.950680499772680 0.939141904316144 0.948815387336064 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 9) Finished k-point number 19 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 22) Finished k-point number 45 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 24) Finished k-point number 49 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 1) Finished k-point number 4 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 36) Finished k-point number 74 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 21) Finished k-point number 44 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 12) Finished k-point number 26 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 32) Finished k-point number 66 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23609143553062 Density= 68.0005222078772 EF 7.96397760341703 Density= 66.6526599173384 Brent's Method Step XA XB F(XA) F(XB) 0 0.60534161 0.58534161 0.522208E-03 -1.34734 1 0.60533386 0.58534161 0.811134E-04 -1.34734 2 0.60533244 0.58534161 0.318069E-08 -1.34734 3 0.60533244 0.60533244 -0.251197E-08 0.318069E-08 4 0.60533244 0.60533244 0.318069E-08 -0.251197E-08 5 0.60533244 0.60533244 0.318069E-08 -0.251197E-08 Absolute convergence of the X interval. Difference in EF= -0.0001248120 EF set to : 8.2359666235 new EF (no-mixing): 8.2359666235 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 50 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 Sum of eigenvalues= -1041.95448365348 eV Ratio to renormalize= 1.00000000603228 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23596662354581 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 1) Finished k-point number 3 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 2) Finished k-point number 5 1 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 2) Finished k-point number 6 2 with #bands= 34 3) Finished k-point number 8 2 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 16) Finished k-point number 33 1 with #bands= 34 17) Finished k-point number 36 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 10) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 25) Finished k-point number 51 1 with #bands= 34 27) Finished k-point number 55 1 with #bands= 30 26) Finished k-point number 53 1 with #bands= 31 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 31) Finished k-point number 63 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 27) Finished k-point number 56 2 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 4) Finished k-point number 9 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 4) Finished k-point number 10 2 with #bands= 31 5) Finished k-point number 11 1 with #bands= 34 6) Finished k-point number 14 2 with #bands= 31 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 13) Finished k-point number 27 1 with #bands= 30 12) Finished k-point number 25 1 with #bands= 34 15) Finished k-point number 31 1 with #bands= 31 13) Finished k-point number 28 2 with #bands= 30 12) Finished k-point number 26 2 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 32 2 with #bands= 30 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947394578966061 0.926985684590514 0.950680314274457 0.939141431481022 0.948815273381972 0.947394578966061 0.926985684590514 0.950680314274457 0.939141431481022 0.948815273381972 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 14) Finished k-point number 29 1 with #bands= 34 24) Finished k-point number 49 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 1) Finished k-point number 4 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 14) Finished k-point number 30 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 30) Finished k-point number 62 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 36) Finished k-point number 74 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 21) Finished k-point number 44 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 32) Finished k-point number 66 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23596662354581 Density= 68.0001040554844 EF 7.96385279143223 Density= 66.6520702955741 Brent's Method Step XA XB F(XA) F(XB) 0 0.60533244 0.58533244 0.104056E-03 -1.34793 1 0.60533089 0.58533244 0.161741E-04 -1.34793 2 0.60533061 0.58533244 0.126448E-09 -1.34793 3 0.60533061 0.60533061 -0.556605E-08 0.126448E-09 4 0.60533061 0.60533061 -0.556605E-08 0.126448E-09 Absolute convergence of the X interval. Difference in EF= -0.0000248717 EF set to : 8.2359417518 new EF (no-mixing): 8.2359417518 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 50 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 Sum of eigenvalues= -1041.95505491758 eV Ratio to renormalize= 1.00000000616041 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23594175180771 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 0) Finished k-point number 1 1 with #bands= 34 1) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 4 2 with #bands= 30 0) Finished k-point number 2 2 with #bands= 34 2) Finished k-point number 5 1 with #bands= 31 3) Finished k-point number 7 1 with #bands= 33 2) Finished k-point number 6 2 with #bands= 34 3) Finished k-point number 8 2 with #bands= 31 12) Finished k-point number 25 1 with #bands= 34 15) Finished k-point number 31 1 with #bands= 31 14) Finished k-point number 29 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 9) Finished k-point number 19 1 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 5) Finished k-point number 11 1 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 51 1 with #bands= 34 6) Finished k-point number 14 2 with #bands= 31 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 7) Finished k-point number 16 2 with #bands= 33 27) Finished k-point number 56 2 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 10) Finished k-point number 21 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 34) Finished k-point number 69 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947394039329083 0.926983947643719 0.950679543379968 0.939139980800860 0.948814587203603 0.947394039329083 0.926983947643718 0.950679543379968 0.939139980800860 0.948814587203604 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 21) Finished k-point number 43 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 29) Finished k-point number 60 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 35) Finished k-point number 72 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 0) Finished k-point number 2 2 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 31) Finished k-point number 64 2 with #bands= 34 EF 8.23594175180771 Density= 68.0001051841387 EF 7.96382791969413 Density= 66.6521263135899 Brent's Method Step XA XB F(XA) F(XB) 0 0.60533061 0.58533061 0.105184E-03 -1.34787 1 0.60532905 0.58533061 0.163509E-04 -1.34787 2 0.60532876 0.58533061 0.129262E-09 -1.34787 3 0.60532876 0.60532876 -0.556298E-08 0.129262E-09 4 0.60532876 0.60532876 -0.556298E-08 0.129262E-09 Absolute convergence of the X interval. Difference in EF= -0.0000251429 EF set to : 8.2359166089 new EF (no-mixing): 8.2359166089 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 50 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 Sum of eigenvalues= -1041.95029860935 eV Ratio to renormalize= 1.00000000615917 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23591660890009 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 11) Finished k-point number 23 1 with #bands= 33 8) Finished k-point number 17 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 2) Finished k-point number 5 1 with #bands= 31 11) Finished k-point number 24 2 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 2) Finished k-point number 6 2 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 17) Finished k-point number 35 1 with #bands= 31 3) Finished k-point number 7 1 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 16) Finished k-point number 34 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 4 2 with #bands= 30 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 25) Finished k-point number 51 1 with #bands= 34 26) Finished k-point number 53 1 with #bands= 31 25) Finished k-point number 52 2 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 24) Finished k-point number 50 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 15) Finished k-point number 31 1 with #bands= 31 12) Finished k-point number 25 1 with #bands= 34 14) Finished k-point number 29 1 with #bands= 34 15) Finished k-point number 32 2 with #bands= 30 12) Finished k-point number 26 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 14) Finished k-point number 30 2 with #bands= 32 13) Finished k-point number 28 2 with #bands= 30 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 29) Finished k-point number 60 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 5) Finished k-point number 11 1 with #bands= 34 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 5) Finished k-point number 12 2 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947393937451517 0.926983007028611 0.950679371446321 0.939139564739080 0.948814325432407 0.947393937451517 0.926983007028611 0.950679371446321 0.939139564739080 0.948814325432408 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 24) Finished k-point number 49 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 14) Finished k-point number 30 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 28) Finished k-point number 58 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 12) Finished k-point number 26 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23591660890009 Density= 68.0001383844481 EF 7.96380277678651 Density= 66.6521965450812 Brent's Method Step XA XB F(XA) F(XB) 0 0.60532876 0.58532876 0.138385E-03 -1.34780 1 0.60532671 0.58532876 0.215104E-04 -1.34780 2 0.60532633 0.58532876 0.223579E-09 -1.34780 3 0.60532633 0.60532633 -0.546858E-08 0.223579E-09 4 0.60532633 0.60532633 -0.546858E-08 0.223579E-09 Absolute convergence of the X interval. Difference in EF= -0.0000330791 EF set to : 8.2358835298 new EF (no-mixing): 8.2358835298 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 50 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 Sum of eigenvalues= -1041.95038967696 eV Ratio to renormalize= 1.00000000615705 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23588352984065 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 1) Finished k-point number 3 1 with #bands= 32 2) Finished k-point number 5 1 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 2) Finished k-point number 6 2 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 9) Finished k-point number 19 1 with #bands= 31 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 7) Finished k-point number 15 1 with #bands= 34 4) Finished k-point number 9 1 with #bands= 31 7) Finished k-point number 16 2 with #bands= 33 6) Finished k-point number 13 1 with #bands= 32 4) Finished k-point number 10 2 with #bands= 31 6) Finished k-point number 14 2 with #bands= 31 5) Finished k-point number 11 1 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 15) Finished k-point number 32 2 with #bands= 30 14) Finished k-point number 30 2 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 16) Finished k-point number 33 1 with #bands= 34 17) Finished k-point number 36 2 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 16) Finished k-point number 34 2 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 28) Finished k-point number 58 2 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 20) Finished k-point number 41 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 25) Finished k-point number 51 1 with #bands= 34 24) Finished k-point number 49 1 with #bands= 33 25) Finished k-point number 52 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 26) Finished k-point number 53 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947393604871176 0.926978613507055 0.950678881234815 0.939138111279577 0.948813145799813 0.947393604871176 0.926978613507055 0.950678881234815 0.939138111279577 0.948813145799813 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 17) Finished k-point number 35 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 20) Finished k-point number 41 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 26) Finished k-point number 53 1 with #bands= 31 3) Finished k-point number 7 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 1) Finished k-point number 4 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 20) Finished k-point number 42 2 with #bands= 33 14) Finished k-point number 30 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 9) Finished k-point number 20 2 with #bands= 33 36) Finished k-point number 74 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 23) Finished k-point number 48 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 12) Finished k-point number 26 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23588352984065 Density= 68.0007135787705 EF 7.96376969772707 Density= 66.6531297211500 Brent's Method Step XA XB F(XA) F(XB) 0 0.60532633 0.58532633 0.713579E-03 -1.34687 1 0.60531574 0.58532633 0.110803E-03 -1.34687 2 0.60531379 0.58532633 0.591982E-08 -1.34687 3 0.60531379 0.58532633 0.710543E-13 -1.34687 Absolute convergence of |F(X)|. Difference in EF= -0.0001705772 EF set to : 8.2357129526 new EF (no-mixing): 8.2357129526 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 50 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 Sum of eigenvalues= -1041.95470471535 eV Ratio to renormalize= 1.00000000607648 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23571295263466 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 1) Finished k-point number 3 1 with #bands= 32 2) Finished k-point number 5 1 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 3) Finished k-point number 7 1 with #bands= 33 2) Finished k-point number 6 2 with #bands= 34 0) Finished k-point number 1 1 with #bands= 34 3) Finished k-point number 8 2 with #bands= 31 0) Finished k-point number 2 2 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 14) Finished k-point number 29 1 with #bands= 34 13) Finished k-point number 27 1 with #bands= 30 12) Finished k-point number 25 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 12) Finished k-point number 26 2 with #bands= 32 15) Finished k-point number 32 2 with #bands= 30 14) Finished k-point number 30 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 28) Finished k-point number 58 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 6) Finished k-point number 13 1 with #bands= 32 5) Finished k-point number 11 1 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 6) Finished k-point number 14 2 with #bands= 31 7) Finished k-point number 16 2 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 10) Finished k-point number 21 1 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 25) Finished k-point number 51 1 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 26) Finished k-point number 53 1 with #bands= 31 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947393569212289 0.926978766682110 0.950678903336749 0.939138205867097 0.948813119784774 0.947393569212289 0.926978766682110 0.950678903336749 0.939138205867097 0.948813119784774 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 17) Finished k-point number 35 1 with #bands= 31 9) Finished k-point number 19 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 20) Finished k-point number 41 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 32) Finished k-point number 65 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 33) Finished k-point number 67 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 3) Finished k-point number 8 2 with #bands= 31 24) Finished k-point number 50 2 with #bands= 31 11) Finished k-point number 24 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 33) Finished k-point number 68 2 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 12) Finished k-point number 26 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23571295263466 Density= 67.9999680951309 EF 8.50782678474825 Density= 69.0535813682358 Brent's Method Step XA XB F(XA) F(XB) 0 0.62531379 0.60531379 1.05358 -0.319048E-04 1 0.61531379 0.60531381 0.532043 -0.319048E-04 2 0.61031380 0.60531404 0.278063 -0.319048E-04 3 0.60781392 0.60531416 0.141115 -0.319048E-04 4 0.60656404 0.60531386 0.708938E-01 -0.319048E-04 5 0.60593895 0.60531425 0.354972E-01 -0.319048E-04 6 0.60562660 0.60531382 0.177598E-01 -0.319048E-04 7 0.60547021 0.60531380 0.886805E-02 -0.319048E-04 8 0.60539200 0.60531381 0.441903E-02 -0.319048E-04 9 0.60535291 0.60531380 0.219422E-02 -0.319048E-04 10 0.60533335 0.60531380 0.108151E-02 -0.319048E-04 11 0.60532358 0.60531380 0.525195E-03 -0.319048E-04 12 0.60531869 0.60531404 0.246988E-03 -0.319048E-04 13 0.60531637 0.60531392 0.114688E-03 -0.319048E-04 14 0.60531514 0.60531398 0.451344E-04 -0.319048E-04 15 0.60531440 0.60531419 0.280614E-05 -0.319048E-04 16 0.60531438 0.60531419 0.140373E-05 -0.319048E-04 17 0.60531435 0.60531419 0.775337E-07 -0.319048E-04 18 0.60531435 0.60531419 0.232501E-08 -0.319048E-04 19 0.60531435 0.60531435 -0.336688E-08 0.232501E-08 20 0.60531435 0.60531435 -0.336688E-08 0.232501E-08 Absolute convergence of the X interval. Difference in EF= 0.0000076256 EF set to : 8.2357205782 new EF (no-mixing): 8.2357205782 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 50 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 Sum of eigenvalues= -1041.95476638467 eV Ratio to renormalize= 1.00000000612579 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23572057823240 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 1) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 4 2 with #bands= 30 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 9) Finished k-point number 19 1 with #bands= 31 8) Finished k-point number 17 1 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 4) Finished k-point number 9 1 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 6) Finished k-point number 13 1 with #bands= 32 5) Finished k-point number 11 1 with #bands= 34 4) Finished k-point number 10 2 with #bands= 31 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 24) Finished k-point number 49 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 16) Finished k-point number 33 1 with #bands= 34 17) Finished k-point number 36 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 18) Finished k-point number 37 1 with #bands= 34 19) Finished k-point number 40 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 23) Finished k-point number 47 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 13) Finished k-point number 27 1 with #bands= 30 15) Finished k-point number 31 1 with #bands= 31 14) Finished k-point number 29 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 15) Finished k-point number 32 2 with #bands= 30 14) Finished k-point number 30 2 with #bands= 32 25) Finished k-point number 51 1 with #bands= 34 26) Finished k-point number 53 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 30) Finished k-point number 61 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947393436694341 0.926978144920080 0.950678780144581 0.939137941664015 0.948812875164436 0.947393436694341 0.926978144920080 0.950678780144581 0.939137941664015 0.948812875164436 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 9) Finished k-point number 19 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 3) Finished k-point number 8 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 9) Finished k-point number 20 2 with #bands= 33 14) Finished k-point number 30 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 11) Finished k-point number 24 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 2) Finished k-point number 6 2 with #bands= 34 23) Finished k-point number 48 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 0) Finished k-point number 2 2 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23572057823240 Density= 68.0001182630725 EF 7.96360674611882 Density= 66.6522660627060 Brent's Method Step XA XB F(XA) F(XB) 0 0.60531435 0.58531435 0.118263E-03 -1.34773 1 0.60531260 0.58531435 0.183812E-04 -1.34773 2 0.60531227 0.58531435 0.162899E-09 -1.34773 3 0.60531227 0.60531227 -0.552893E-08 0.162899E-09 4 0.60531227 0.60531227 -0.552893E-08 0.162899E-09 Absolute convergence of the X interval. Difference in EF= -0.0000282709 EF set to : 8.2356923073 new EF (no-mixing): 8.2356923073 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 50 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 Sum of eigenvalues= -1041.95572982358 eV Ratio to renormalize= 1.00000000615742 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23569230730227 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 3) Finished k-point number 7 1 with #bands= 33 1) Finished k-point number 3 1 with #bands= 32 3) Finished k-point number 8 2 with #bands= 31 0) Finished k-point number 1 1 with #bands= 34 2) Finished k-point number 5 1 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 0) Finished k-point number 2 2 with #bands= 34 2) Finished k-point number 6 2 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 17) Finished k-point number 35 1 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 16) Finished k-point number 33 1 with #bands= 34 17) Finished k-point number 36 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 14) Finished k-point number 29 1 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 4) Finished k-point number 9 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 5) Finished k-point number 11 1 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 4) Finished k-point number 10 2 with #bands= 31 6) Finished k-point number 14 2 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 51 1 with #bands= 34 34) Finished k-point number 69 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 32) Finished k-point number 66 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 27) Finished k-point number 55 1 with #bands= 30 35) Finished k-point number 71 1 with #bands= 32 27) Finished k-point number 56 2 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 11) Finished k-point number 23 1 with #bands= 33 9) Finished k-point number 19 1 with #bands= 31 8) Finished k-point number 17 1 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947393298282183 0.926976856677066 0.950678577203397 0.939137412856616 0.948812521916457 0.947393298282183 0.926976856677067 0.950678577203397 0.939137412856616 0.948812521916457 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 17) Finished k-point number 35 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 26) Finished k-point number 53 1 with #bands= 31 0) Finished k-point number 1 1 with #bands= 34 22) Finished k-point number 45 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 24) Finished k-point number 49 1 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 23) Finished k-point number 47 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 3) Finished k-point number 8 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 14) Finished k-point number 30 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 19) Finished k-point number 40 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 21) Finished k-point number 44 2 with #bands= 33 12) Finished k-point number 26 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23569230730227 Density= 68.0002336467385 EF 7.96357847518869 Density= 66.6524640908629 Brent's Method Step XA XB F(XA) F(XB) 0 0.60531227 0.58531227 0.233647E-03 -1.34754 1 0.60530881 0.58531227 0.363073E-04 -1.34754 2 0.60530817 0.58531227 0.635296E-09 -1.34754 3 0.60530817 0.60530817 -0.505645E-08 0.635296E-09 4 0.60530817 0.60530817 -0.505645E-08 0.635296E-09 Absolute convergence of the X interval. Difference in EF= -0.0000558534 EF set to : 8.2356364539 new EF (no-mixing): 8.2356364539 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 50 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 Sum of eigenvalues= -1041.95720151797 eV Ratio to renormalize= 1.00000000614993 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23563645391721 4) Finished k-point number 9 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 sumw= 729.000000000000 3) Finished k-point number 7 1 with #bands= 33 4) Finished k-point number 10 2 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 5) Finished k-point number 11 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 6) Finished k-point number 14 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 beta....= 99.9999999999998 n0_om...= 201 1) Finished k-point number 4 2 with #bands= 30 5) Finished k-point number 12 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 11) Finished k-point number 23 1 with #bands= 33 9) Finished k-point number 19 1 with #bands= 31 8) Finished k-point number 17 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 21) Finished k-point number 43 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 15) Finished k-point number 31 1 with #bands= 31 25) Finished k-point number 51 1 with #bands= 34 30) Finished k-point number 61 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 22) Finished k-point number 45 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 28) Finished k-point number 57 1 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 29) Finished k-point number 59 1 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 25) Finished k-point number 52 2 with #bands= 32 27) Finished k-point number 55 1 with #bands= 30 20) Finished k-point number 42 2 with #bands= 33 17) Finished k-point number 36 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 26) Finished k-point number 53 1 with #bands= 31 34) Finished k-point number 69 1 with #bands= 32 18) Finished k-point number 37 1 with #bands= 34 27) Finished k-point number 56 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 16) Finished k-point number 33 1 with #bands= 34 24) Finished k-point number 49 1 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 30) Finished k-point number 62 2 with #bands= 32 15) Finished k-point number 32 2 with #bands= 30 14) Finished k-point number 30 2 with #bands= 32 13) Finished k-point number 28 2 with #bands= 30 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947393292619775 0.926976827758339 0.950678568145861 0.939137387200728 0.948812521778156 0.947393292619775 0.926976827758339 0.950678568145861 0.939137387200728 0.948812521778156 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 22) Finished k-point number 45 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 5) Finished k-point number 11 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 11) Finished k-point number 24 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 30) Finished k-point number 62 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 36) Finished k-point number 74 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 12) Finished k-point number 26 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23563645391721 Density= 68.0115753840653 EF 7.96352262180362 Density= 66.6628311397147 Brent's Method Step XA XB F(XA) F(XB) 0 0.60530817 0.58530817 0.115754E-01 -1.33717 1 0.60513652 0.58530817 0.175767E-02 -1.33717 2 0.60510583 0.58530817 0.171212E-05 -1.33717 3 0.60510580 0.58530817 0.258268E-09 -1.33717 4 0.60510580 0.60510580 -0.546363E-08 0.258268E-09 5 0.60510580 0.60510580 -0.546363E-08 0.258268E-09 Absolute convergence of the X interval. Difference in EF= -0.0027533360 EF set to : 8.2328831179 new EF (no-mixing): 8.2328831179 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 Sum of eigenvalues= -1041.98540013457 eV Ratio to renormalize= 1.00000000619026 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23288311792350 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 1) Finished k-point number 3 1 with #bands= 32 2) Finished k-point number 5 1 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 2) Finished k-point number 6 2 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 3) Finished k-point number 8 2 with #bands= 31 9) Finished k-point number 19 1 with #bands= 31 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 7) Finished k-point number 15 1 with #bands= 34 4) Finished k-point number 9 1 with #bands= 31 7) Finished k-point number 16 2 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 6) Finished k-point number 14 2 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 5) Finished k-point number 12 2 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 13) Finished k-point number 27 1 with #bands= 30 31) Finished k-point number 64 2 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 13) Finished k-point number 28 2 with #bands= 30 14) Finished k-point number 29 1 with #bands= 34 15) Finished k-point number 31 1 with #bands= 31 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 32 2 with #bands= 30 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 9) Finished k-point number 20 2 with #bands= 33 11) Finished k-point number 23 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 25) Finished k-point number 51 1 with #bands= 34 26) Finished k-point number 54 2 with #bands= 31 24) Finished k-point number 49 1 with #bands= 33 25) Finished k-point number 52 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947393325303774 0.926976890511841 0.950678578173483 0.939137405348589 0.948812559092246 0.947393325303774 0.926976890511841 0.950678578173483 0.939137405348589 0.948812559092246 32) Finished k-point number 66 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 22) Finished k-point number 45 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 20) Finished k-point number 42 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 23) Finished k-point number 48 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 0) Finished k-point number 2 2 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23288311792350 Density= 67.9999584481672 EF 8.50499695003708 Density= 69.0525396912434 Brent's Method Step XA XB F(XA) F(XB) 0 0.62510580 0.60510580 1.05254 -0.415517E-04 1 0.61510580 0.60510582 0.533546 -0.415517E-04 2 0.61010581 0.60510557 0.279642 -0.415517E-04 3 0.60760569 0.60510570 0.141991 -0.415517E-04 4 0.60635569 0.60510564 0.712903E-01 -0.415517E-04 5 0.60573066 0.60510543 0.356725E-01 -0.415517E-04 6 0.60541805 0.60510553 0.178154E-01 -0.415517E-04 7 0.60526179 0.60510572 0.888163E-02 -0.415517E-04 8 0.60518375 0.60510586 0.441821E-02 -0.415517E-04 9 0.60514481 0.60510555 0.219021E-02 -0.415517E-04 10 0.60512518 0.60510571 0.106721E-02 -0.415517E-04 11 0.60511544 0.60510563 0.510128E-03 -0.415517E-04 12 0.60511054 0.60510543 0.229357E-03 -0.415517E-04 13 0.60510798 0.60510577 0.832605E-04 -0.415517E-04 14 0.60510688 0.60510560 0.198875E-04 -0.415517E-04 15 0.60510647 0.60510688 -0.351770E-05 0.198875E-04 16 0.60510653 0.60510647 0.197531E-11 -0.351770E-05 Absolute convergence of |F(X)|. Difference in EF= 0.0000098802 EF set to : 8.2328929981 new EF (no-mixing): 8.2328929981 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 Sum of eigenvalues= -1041.98464646458 eV Ratio to renormalize= 1.00000000611016 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23289299811918 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 1) Finished k-point number 3 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 1) Finished k-point number 4 2 with #bands= 30 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 17) Finished k-point number 35 1 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 5) Finished k-point number 11 1 with #bands= 34 6) Finished k-point number 13 1 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 15) Finished k-point number 31 1 with #bands= 31 14) Finished k-point number 29 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 32 2 with #bands= 30 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 31) Finished k-point number 63 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 30) Finished k-point number 61 1 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 21) Finished k-point number 43 1 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 25) Finished k-point number 51 1 with #bands= 34 26) Finished k-point number 53 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 25) Finished k-point number 52 2 with #bands= 32 32) Finished k-point number 65 1 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947393281373327 0.926976858774819 0.950678565214037 0.939137393287143 0.948812519448025 0.947393281373327 0.926976858774819 0.950678565214037 0.939137393287143 0.948812519448025 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 1) Finished k-point number 3 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 26) Finished k-point number 53 1 with #bands= 31 22) Finished k-point number 45 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 28) Finished k-point number 57 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 11) Finished k-point number 24 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 19) Finished k-point number 40 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23289299811918 Density= 68.0000395820266 EF 7.96077916600559 Density= 66.6460747740436 Brent's Method Step XA XB F(XA) F(XB) 0 0.60510653 0.58510653 0.395821E-04 -1.35393 1 0.60510594 0.58510653 0.612684E-05 -1.35393 2 0.60510584 0.58510653 0.209184E-10 -1.35393 Absolute convergence of |F(X)|. Difference in EF= -0.0000094119 EF set to : 8.2328835862 new EF (no-mixing): 8.2328835862 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 Sum of eigenvalues= -1041.98535343058 eV Ratio to renormalize= 1.00000000610929 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23288358623799 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 1) Finished k-point number 3 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 1) Finished k-point number 4 2 with #bands= 30 0) Finished k-point number 2 2 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 2) Finished k-point number 5 1 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 32) Finished k-point number 65 1 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 5) Finished k-point number 11 1 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 12) Finished k-point number 25 1 with #bands= 34 13) Finished k-point number 27 1 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 12) Finished k-point number 26 2 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 16) Finished k-point number 33 1 with #bands= 34 19) Finished k-point number 39 1 with #bands= 32 18) Finished k-point number 37 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 6) Finished k-point number 13 1 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 20) Finished k-point number 41 1 with #bands= 32 25) Finished k-point number 51 1 with #bands= 34 24) Finished k-point number 49 1 with #bands= 33 25) Finished k-point number 52 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 26) Finished k-point number 53 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 26) Finished k-point number 54 2 with #bands= 31 21) Finished k-point number 43 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 27) Finished k-point number 56 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947393318572747 0.926976857966675 0.950678609833498 0.939137459221010 0.948812539696735 0.947393318572747 0.926976857966675 0.950678609833498 0.939137459221010 0.948812539696735 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 14) Finished k-point number 29 1 with #bands= 34 37) Finished k-point number 75 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 28) Finished k-point number 57 1 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 3) Finished k-point number 8 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 9) Finished k-point number 20 2 with #bands= 33 14) Finished k-point number 30 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 19) Finished k-point number 40 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 36) Finished k-point number 74 2 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 5) Finished k-point number 12 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23288358623799 Density= 68.0000058097015 EF 7.96076975412440 Density= 66.6460245425015 Brent's Method Step XA XB F(XA) F(XB) 0 0.60510584 0.58510584 0.580980E-05 -1.35398 1 0.60510575 0.58510584 0.899327E-06 -1.35398 2 0.60510574 0.58510584 0.440536E-12 -1.35398 Absolute convergence of |F(X)|. Difference in EF= -0.0000013815 EF set to : 8.2328822048 new EF (no-mixing): 8.2328822048 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 Sum of eigenvalues= -1041.98565660626 eV Ratio to renormalize= 1.00000000611037 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23288220478210 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 1) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 4 2 with #bands= 30 0) Finished k-point number 1 1 with #bands= 34 2) Finished k-point number 5 1 with #bands= 31 0) Finished k-point number 2 2 with #bands= 34 2) Finished k-point number 6 2 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 11) Finished k-point number 23 1 with #bands= 33 10) Finished k-point number 21 1 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 5) Finished k-point number 11 1 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 6) Finished k-point number 13 1 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 35) Finished k-point number 71 1 with #bands= 32 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 25) Finished k-point number 51 1 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 24) Finished k-point number 49 1 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 24) Finished k-point number 50 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 30) Finished k-point number 61 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 14) Finished k-point number 29 1 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947393275904106 0.926976966056521 0.950678532230069 0.939137341949965 0.948812552221230 0.947393275904106 0.926976966056521 0.950678532230069 0.939137341949965 0.948812552221230 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 0) Finished k-point number 1 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 37) Finished k-point number 75 1 with #bands= 32 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 14) Finished k-point number 30 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 33) Finished k-point number 68 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 30) Finished k-point number 62 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23288220478210 Density= 67.9999723670123 EF 8.50499603689568 Density= 69.0525544737040 Brent's Method Step XA XB F(XA) F(XB) 0 0.62510573 0.60510574 1.05255 -0.276329E-04 1 0.61510573 0.60510575 0.533558 -0.276329E-04 2 0.61010574 0.60510551 0.279655 -0.276329E-04 3 0.60760563 0.60510563 0.142004 -0.276329E-04 4 0.60635563 0.60510557 0.713040E-01 -0.276329E-04 5 0.60573060 0.60510584 0.356862E-01 -0.276329E-04 6 0.60541822 0.60510546 0.178429E-01 -0.276329E-04 7 0.60526184 0.60510541 0.890233E-02 -0.276329E-04 8 0.60518363 0.60510544 0.442870E-02 -0.276329E-04 9 0.60514453 0.60510543 0.219219E-02 -0.276329E-04 10 0.60512498 0.60510543 0.107345E-02 -0.276329E-04 11 0.60511521 0.60510543 0.514239E-03 -0.276329E-04 12 0.60511032 0.60510567 0.234535E-03 -0.276329E-04 13 0.60510799 0.60510555 0.101549E-03 -0.276329E-04 14 0.60510677 0.60510561 0.316213E-04 -0.276329E-04 15 0.60510612 0.60510656 -0.577836E-05 0.316213E-04 16 0.60510619 0.60510656 -0.184249E-05 0.316213E-04 17 0.60510622 0.60510656 -0.101446E-06 0.316213E-04 18 0.60510622 0.60510656 -0.209971E-08 0.316213E-04 19 0.60510622 0.60510622 0.362219E-08 -0.209971E-08 20 0.60510622 0.60510622 0.362219E-08 -0.209971E-08 Absolute convergence of the X interval. Difference in EF= 0.0000065714 EF set to : 8.2328887762 new EF (no-mixing): 8.2328887762 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 Sum of eigenvalues= -1041.98533541208 eV Ratio to renormalize= 1.00000000605659 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23288877623020 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 1) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 4 2 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 2) Finished k-point number 6 2 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 25) Finished k-point number 51 1 with #bands= 34 24) Finished k-point number 49 1 with #bands= 33 25) Finished k-point number 52 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 26) Finished k-point number 53 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 12) Finished k-point number 25 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 26) Finished k-point number 54 2 with #bands= 31 12) Finished k-point number 26 2 with #bands= 32 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 14) Finished k-point number 29 1 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 30) Finished k-point number 62 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 5) Finished k-point number 11 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 6) Finished k-point number 14 2 with #bands= 31 7) Finished k-point number 16 2 with #bands= 33 5) Finished k-point number 12 2 with #bands= 32 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947393288801459 0.926976869588597 0.950678573465510 0.939137400423506 0.948812531416916 0.947393288801459 0.926976869588598 0.950678573465510 0.939137400423506 0.948812531416916 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 17) Finished k-point number 35 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 22) Finished k-point number 45 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 5) Finished k-point number 11 1 with #bands= 34 28) Finished k-point number 57 1 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 31) Finished k-point number 63 1 with #bands= 33 25) Finished k-point number 51 1 with #bands= 34 4) Finished k-point number 10 2 with #bands= 31 13) Finished k-point number 28 2 with #bands= 30 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 3) Finished k-point number 8 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 9) Finished k-point number 20 2 with #bands= 33 14) Finished k-point number 30 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 11) Finished k-point number 24 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 36) Finished k-point number 74 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 32) Finished k-point number 66 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 12) Finished k-point number 26 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23288877623020 Density= 68.0000256084150 EF 7.96077494411661 Density= 66.6460542819983 Brent's Method Step XA XB F(XA) F(XB) 0 0.60510622 0.58510622 0.256085E-04 -1.35395 1 0.60510584 0.58510622 0.396398E-05 -1.35395 2 0.60510577 0.58510622 0.875389E-11 -1.35395 Absolute convergence of |F(X)|. Difference in EF= -0.0000060892 EF set to : 8.2328826870 new EF (no-mixing): 8.2328826870 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 Sum of eigenvalues= -1041.98540601593 eV Ratio to renormalize= 1.00000000611012 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23288268701271 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 1) Finished k-point number 3 1 with #bands= 32 2) Finished k-point number 5 1 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 2) Finished k-point number 6 2 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 10) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 12) Finished k-point number 25 1 with #bands= 34 14) Finished k-point number 29 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 12) Finished k-point number 26 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 18) Finished k-point number 37 1 with #bands= 34 17) Finished k-point number 35 1 with #bands= 31 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 25) Finished k-point number 51 1 with #bands= 34 26) Finished k-point number 53 1 with #bands= 31 25) Finished k-point number 52 2 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 6) Finished k-point number 13 1 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 5) Finished k-point number 11 1 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 7) Finished k-point number 16 2 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 30) Finished k-point number 62 2 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947393270070796 0.926976744866047 0.950678558859986 0.939137387967861 0.948812463267432 0.947393270070796 0.926976744866047 0.950678558859986 0.939137387967861 0.948812463267432 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 17) Finished k-point number 35 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 11) Finished k-point number 23 1 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 26) Finished k-point number 53 1 with #bands= 31 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 5) Finished k-point number 11 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 9) Finished k-point number 20 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 14) Finished k-point number 30 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 11) Finished k-point number 24 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 35) Finished k-point number 72 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 32) Finished k-point number 66 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 12) Finished k-point number 26 2 with #bands= 32 25) Finished k-point number 52 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23288268701271 Density= 67.9999962962687 EF 8.50499651912629 Density= 69.0525730680021 Brent's Method Step XA XB F(XA) F(XB) 0 0.62510577 0.60510577 1.05257 -0.370363E-05 1 0.61510577 0.60510579 0.533577 -0.370363E-05 2 0.61010578 0.60510554 0.279677 -0.370363E-05 3 0.60760566 0.60510567 0.142028 -0.370363E-05 4 0.60635566 0.60510560 0.713280E-01 -0.370363E-05 5 0.60573063 0.60510587 0.357103E-01 -0.370363E-05 6 0.60541825 0.60510550 0.178669E-01 -0.370363E-05 7 0.60526188 0.60510545 0.892629E-02 -0.370363E-05 8 0.60518366 0.60510547 0.445265E-02 -0.370363E-05 9 0.60514457 0.60510546 0.221612E-02 -0.370363E-05 10 0.60512501 0.60510547 0.109738E-02 -0.370363E-05 11 0.60511524 0.60510546 0.538170E-03 -0.370363E-05 12 0.60511035 0.60510570 0.258465E-03 -0.370363E-05 13 0.60510803 0.60510558 0.125478E-03 -0.370363E-05 14 0.60510681 0.60510564 0.555507E-04 -0.370363E-05 15 0.60510623 0.60510585 0.223037E-04 -0.370363E-05 16 0.60510604 0.60510575 0.116429E-04 -0.370363E-05 17 0.60510589 0.60510556 0.333111E-05 -0.370363E-05 18 0.60510574 0.60510589 -0.531975E-05 0.333111E-05 19 0.60510582 0.60510622 -0.994321E-06 0.333111E-05 20 0.60510591 0.60510582 0.428343E-05 -0.994321E-06 21 0.60510586 0.60510543 0.164456E-05 -0.994321E-06 22 0.60510555 0.60510543 -0.163227E-04 0.164456E-05 23 0.60510549 0.60510555 -0.196619E-04 0.164456E-05 24 0.60510552 0.60510549 -0.179923E-04 0.164456E-05 25 0.60510551 0.60510552 -0.188271E-04 0.164456E-05 26 0.60510551 0.60510551 -0.184097E-04 0.164456E-05 27 0.60510551 0.60510551 -0.186184E-04 0.164456E-05 28 0.60510551 0.60510551 -0.185140E-04 0.164456E-05 29 0.60510551 0.60510551 -0.185662E-04 0.164456E-05 30 0.60510551 0.60510551 -0.185401E-04 0.164456E-05 31 0.60510551 0.60510551 -0.185532E-04 0.164456E-05 32 0.60510551 0.60510551 -0.185467E-04 0.164456E-05 33 0.60510551 0.60510551 -0.185475E-04 0.164456E-05 Absolute convergence of the X interval. Difference in EF= -0.0000035294 EF set to : 8.2328791576 new EF (no-mixing): 8.2328791576 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 Sum of eigenvalues= -1041.98551945039 eV Ratio to renormalize= 1.00000027885498 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23287915763428 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 1) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 4 2 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 15) Finished k-point number 31 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 14) Finished k-point number 29 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 15) Finished k-point number 32 2 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 14) Finished k-point number 30 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 6) Finished k-point number 13 1 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 51 1 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 29) Finished k-point number 60 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 28) Finished k-point number 58 2 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 16) Finished k-point number 33 1 with #bands= 34 17) Finished k-point number 36 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947393317801626 0.926977011486122 0.950678626546881 0.939137519839148 0.948812565957718 0.947393317801625 0.926977011486122 0.950678626546881 0.939137519839147 0.948812565957718 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 20) Finished k-point number 41 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 22) Finished k-point number 45 1 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 5) Finished k-point number 11 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 14) Finished k-point number 30 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 20) Finished k-point number 42 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 36) Finished k-point number 74 2 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 16) Finished k-point number 34 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 0) Finished k-point number 2 2 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23287915763428 Density= 67.9999621408129 EF 8.50499298974786 Density= 69.0525509177697 Brent's Method Step XA XB F(XA) F(XB) 0 0.62510551 0.60510551 1.05255 -0.378591E-04 1 0.61510551 0.60510553 0.533553 -0.378591E-04 2 0.61010552 0.60510576 0.279647 -0.378591E-04 3 0.60760564 0.60510541 0.142008 -0.378591E-04 4 0.60635552 0.60510558 0.713011E-01 -0.378591E-04 5 0.60573055 0.60510573 0.356865E-01 -0.378591E-04 6 0.60541814 0.60510542 0.178414E-01 -0.378591E-04 7 0.60526178 0.60510581 0.890156E-02 -0.378591E-04 8 0.60518380 0.60510586 0.444110E-02 -0.378591E-04 9 0.60514483 0.60510560 0.221160E-02 -0.378591E-04 10 0.60512521 0.60510573 0.108934E-02 -0.378591E-04 11 0.60511547 0.60510566 0.531888E-03 -0.378591E-04 12 0.60511056 0.60510545 0.251302E-03 -0.378591E-04 13 0.60510801 0.60510580 0.105112E-03 -0.378591E-04 14 0.60510690 0.60510563 0.417856E-04 -0.378591E-04 15 0.60510626 0.60510547 0.523786E-05 -0.378591E-04 16 0.60510616 0.60510626 -0.737464E-06 0.523786E-05 17 0.60510617 0.60510616 0.994760E-13 -0.737464E-06 Absolute convergence of |F(X)|. Difference in EF= 0.0000090021 EF set to : 8.2328881597 new EF (no-mixing): 8.2328881597 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 Sum of eigenvalues= -1041.98532923025 eV Ratio to renormalize= 1.00000000611022 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23288815974802 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 0) Finished k-point number 1 1 with #bands= 34 1) Finished k-point number 3 1 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 1) Finished k-point number 4 2 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 29) Finished k-point number 59 1 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 5) Finished k-point number 11 1 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 23) Finished k-point number 48 2 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 6) Finished k-point number 13 1 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 25) Finished k-point number 51 1 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 24) Finished k-point number 49 1 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 24) Finished k-point number 50 2 with #bands= 31 32) Finished k-point number 65 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 14) Finished k-point number 29 1 with #bands= 34 13) Finished k-point number 27 1 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 32 2 with #bands= 30 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947393316341472 0.926976912030121 0.950678611594034 0.939137481621392 0.948812543773749 0.947393316341472 0.926976912030121 0.950678611594034 0.939137481621393 0.948812543773749 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 17) Finished k-point number 35 1 with #bands= 31 9) Finished k-point number 19 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 20) Finished k-point number 41 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 28) Finished k-point number 57 1 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 4) Finished k-point number 10 2 with #bands= 31 13) Finished k-point number 28 2 with #bands= 30 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 14) Finished k-point number 30 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 30) Finished k-point number 62 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 12) Finished k-point number 26 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 32) Finished k-point number 66 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23288815974802 Density= 68.0000099690844 EF 7.96077432763444 Density= 66.6460289365746 Brent's Method Step XA XB F(XA) F(XB) 0 0.60510617 0.58510617 0.996918E-05 -1.35397 1 0.60510603 0.58510617 0.154316E-05 -1.35397 2 0.60510600 0.58510617 0.130740E-11 -1.35397 Absolute convergence of |F(X)|. Difference in EF= -0.0000023705 EF set to : 8.2328857893 new EF (no-mixing): 8.2328857893 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 Sum of eigenvalues= -1041.98535321118 eV Ratio to renormalize= 1.00000000610985 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23288578927661 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 0) Finished k-point number 1 1 with #bands= 34 1) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 4 2 with #bands= 30 0) Finished k-point number 2 2 with #bands= 34 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 20) Finished k-point number 41 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 10) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 8) Finished k-point number 17 1 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 5) Finished k-point number 11 1 with #bands= 33 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 28 2 with #bands= 30 5) Finished k-point number 12 2 with #bands= 32 4) Finished k-point number 10 2 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 6) Finished k-point number 13 1 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 14) Finished k-point number 29 1 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 25) Finished k-point number 51 1 with #bands= 34 26) Finished k-point number 53 1 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 25) Finished k-point number 52 2 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 24) Finished k-point number 50 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947299488021707 0.927061660396502 0.949881891084195 0.938354447506859 0.948446579660651 0.947299488021707 0.927061660396502 0.949881891084195 0.938354447506859 0.948446579660651 34) Finished k-point number 69 1 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 0) Finished k-point number 1 1 with #bands= 34 14) Finished k-point number 29 1 with #bands= 34 5) Finished k-point number 11 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 30) Finished k-point number 61 1 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 14) Finished k-point number 30 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 20) Finished k-point number 42 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 2) Finished k-point number 6 2 with #bands= 34 36) Finished k-point number 74 2 with #bands= 33 5) Finished k-point number 12 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 12) Finished k-point number 26 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 31) Finished k-point number 64 2 with #bands= 34 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23288578927661 Density= 67.9920492340798 EF 8.50499962139019 Density= 69.0520250575371 Brent's Method Step XA XB F(XA) F(XB) 0 0.62510600 0.60510600 1.05203 -0.795077E-02 1 0.61510600 0.60510602 0.528541 -0.795076E-02 2 0.61010601 0.60510625 0.272819 -0.795077E-02 3 0.60760613 0.60510589 0.134380 -0.795077E-02 4 0.60635601 0.60510607 0.634664E-01 -0.795076E-02 5 0.60573104 0.60510622 0.277993E-01 -0.795077E-02 6 0.60541863 0.60510591 0.993843E-02 -0.795076E-02 7 0.60526227 0.60510630 0.992979E-03 -0.795077E-02 8 0.60524495 0.60510630 0.218033E-05 -0.795077E-02 9 0.60524492 0.60510630 0.526924E-09 -0.795077E-02 10 0.60524492 0.60524492 -0.519543E-08 0.526924E-09 11 0.60524492 0.60524492 -0.519543E-08 0.526924E-09 Absolute convergence of the X interval. Difference in EF= 0.0018900586 EF set to : 8.2347758478 new EF (no-mixing): 8.2347758478 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 Sum of eigenvalues= -1041.98919136245 eV Ratio to renormalize= 1.00000000620901 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23477584783898 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 5) Finished k-point number 11 1 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 4) Finished k-point number 9 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 4) Finished k-point number 10 2 with #bands= 31 6) Finished k-point number 14 2 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 13) Finished k-point number 27 1 with #bands= 30 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 14) Finished k-point number 29 1 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 13) Finished k-point number 28 2 with #bands= 30 12) Finished k-point number 26 2 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 1) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 4 2 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 10) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 51 1 with #bands= 34 26) Finished k-point number 53 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947394771957388 0.927027042325613 0.950684686299010 0.939150264396652 0.948828262826982 0.947394771957388 0.927027042325613 0.950684686299010 0.939150264396652 0.948828262826982 2) Finished k-point number 5 1 with #bands= 31 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 1) Finished k-point number 3 1 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 9) Finished k-point number 19 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 3) Finished k-point number 7 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 1) Finished k-point number 4 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 2) Finished k-point number 6 2 with #bands= 34 19) Finished k-point number 40 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 12) Finished k-point number 26 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 0) Finished k-point number 2 2 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23477584783898 Density= 68.0047995450770 EF 7.96266201572540 Density= 66.6521619049964 Brent's Method Step XA XB F(XA) F(XB) 0 0.60524492 0.58524492 0.479955E-02 -1.34784 1 0.60517395 0.58524492 0.740253E-03 -1.34784 2 0.60516102 0.58524492 0.313803E-06 -1.34784 3 0.60516101 0.58524492 0.206768E-10 -1.34784 Absolute convergence of |F(X)|. Difference in EF= -0.0011415912 EF set to : 8.2336342566 new EF (no-mixing): 8.2336342566 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 Sum of eigenvalues= -1041.99288445741 eV Ratio to renormalize= 1.00000000611946 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23363425660551 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 0) Finished k-point number 1 1 with #bands= 34 1) Finished k-point number 3 1 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 1) Finished k-point number 4 2 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 17) Finished k-point number 35 1 with #bands= 31 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 13) Finished k-point number 27 1 with #bands= 30 12) Finished k-point number 26 2 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 8) Finished k-point number 17 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 5) Finished k-point number 11 1 with #bands= 33 6) Finished k-point number 13 1 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 6) Finished k-point number 14 2 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 51 1 with #bands= 34 26) Finished k-point number 53 1 with #bands= 31 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 32) Finished k-point number 65 1 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947298776898058 0.927005988945835 0.949872865503873 0.938327962117478 0.948435294013030 0.947298776898058 0.927005988945835 0.949872865503873 0.938327962117478 0.948435294013030 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 9) Finished k-point number 19 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 17) Finished k-point number 35 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 1) Finished k-point number 3 1 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 22) Finished k-point number 45 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 36) Finished k-point number 73 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 9) Finished k-point number 20 2 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 34) Finished k-point number 70 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 28) Finished k-point number 58 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 7) Finished k-point number 16 2 with #bands= 33 0) Finished k-point number 2 2 with #bands= 34 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23363425660551 Density= 68.0017541264211 EF 7.96152042449192 Density= 66.6484480834553 Brent's Method Step XA XB F(XA) F(XB) 0 0.60516101 0.58516101 0.175413E-02 -1.35155 1 0.60513509 0.58516101 0.271979E-03 -1.35155 2 0.60513033 0.58516101 0.430615E-07 -1.35155 3 0.60513033 0.58516101 0.108002E-11 -1.35155 Absolute convergence of |F(X)|. Difference in EF= -0.0004174285 EF set to : 8.2332168281 new EF (no-mixing): 8.2332168281 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 Sum of eigenvalues= -1042.01917402207 eV Ratio to renormalize= 1.00000000611639 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23321682808240 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 1) Finished k-point number 3 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 1) Finished k-point number 4 2 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 5) Finished k-point number 11 1 with #bands= 33 5) Finished k-point number 12 2 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 13) Finished k-point number 27 1 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 15) Finished k-point number 31 1 with #bands= 31 14) Finished k-point number 29 1 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 15) Finished k-point number 32 2 with #bands= 30 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 26) Finished k-point number 53 1 with #bands= 31 32) Finished k-point number 65 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 25) Finished k-point number 51 1 with #bands= 34 26) Finished k-point number 54 2 with #bands= 31 25) Finished k-point number 52 2 with #bands= 32 27) Finished k-point number 55 1 with #bands= 30 33) Finished k-point number 68 2 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 27) Finished k-point number 56 2 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 30) Finished k-point number 62 2 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947299697554619 0.927027884330024 0.949875930325466 0.938334560765905 0.948442417522314 0.947299697554619 0.927027884330024 0.949875930325466 0.938334560765904 0.948442417522314 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 1) Finished k-point number 3 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 22) Finished k-point number 45 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 5) Finished k-point number 11 1 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 37) Finished k-point number 75 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 24) Finished k-point number 49 1 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 1) Finished k-point number 4 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 3) Finished k-point number 8 2 with #bands= 31 29) Finished k-point number 60 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 14) Finished k-point number 30 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 5) Finished k-point number 12 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 33) Finished k-point number 68 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23321682808240 Density= 67.9980771266656 EF 8.50533066019599 Density= 69.0559584425384 Brent's Method Step XA XB F(XA) F(XB) 0 0.62513033 0.60513033 1.05596 -0.192287E-02 1 0.61513033 0.60513035 0.532869 -0.192287E-02 2 0.61013034 0.60513058 0.278139 -0.192287E-02 3 0.60763046 0.60513022 0.140165 -0.192287E-02 4 0.60638034 0.60513040 0.693995E-01 -0.192287E-02 5 0.60575537 0.60513055 0.337848E-01 -0.192287E-02 6 0.60544296 0.60513024 0.159461E-01 -0.192287E-02 7 0.60528660 0.60513063 0.701096E-02 -0.192287E-02 8 0.60520862 0.60513020 0.255318E-02 -0.192287E-02 9 0.60516941 0.60513041 0.311471E-03 -0.192287E-02 10 0.60516398 0.60513041 0.113067E-05 -0.192287E-02 11 0.60516396 0.60513041 0.398515E-09 -0.192287E-02 12 0.60516396 0.60516396 -0.531911E-08 0.398515E-09 13 0.60516396 0.60516396 -0.531911E-08 0.398515E-09 Absolute convergence of the X interval. Difference in EF= 0.0004575463 EF set to : 8.2336743744 new EF (no-mixing): 8.2336743744 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 Sum of eigenvalues= -1042.01798254905 eV Ratio to renormalize= 1.00000000619919 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23367437436254 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 5) Finished k-point number 11 1 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 1) Finished k-point number 3 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 1) Finished k-point number 4 2 with #bands= 30 12) Finished k-point number 25 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 32) Finished k-point number 65 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 14) Finished k-point number 29 1 with #bands= 34 15) Finished k-point number 31 1 with #bands= 31 13) Finished k-point number 28 2 with #bands= 30 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 32 2 with #bands= 30 21) Finished k-point number 43 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 3) Finished k-point number 8 2 with #bands= 31 29) Finished k-point number 59 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 18) Finished k-point number 37 1 with #bands= 34 19) Finished k-point number 39 1 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 40 2 with #bands= 33 25) Finished k-point number 51 1 with #bands= 34 26) Finished k-point number 53 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947398075734384 0.927046388397919 0.950687626668978 0.939151642891358 0.948838725927710 0.947398075734384 0.927046388397919 0.950687626668978 0.939151642891358 0.948838725927711 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 17) Finished k-point number 35 1 with #bands= 31 9) Finished k-point number 19 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 22) Finished k-point number 45 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 1) Finished k-point number 4 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 11) Finished k-point number 24 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 36) Finished k-point number 74 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 30) Finished k-point number 62 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 5) Finished k-point number 12 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 25) Finished k-point number 52 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23367437436254 Density= 67.9973240722883 EF 8.50578820647612 Density= 69.0526189249627 Brent's Method Step XA XB F(XA) F(XB) 0 0.62516396 0.60516396 1.05262 -0.267593E-02 1 0.61516396 0.60516398 0.532247 -0.267593E-02 2 0.61016397 0.60516373 0.277433 -0.267593E-02 3 0.60766385 0.60516385 0.139412 -0.267593E-02 4 0.60641385 0.60516379 0.686469E-01 -0.267593E-02 5 0.60578882 0.60516358 0.330260E-01 -0.267593E-02 6 0.60547620 0.60516369 0.151735E-01 -0.267593E-02 7 0.60531995 0.60516387 0.624310E-02 -0.267593E-02 8 0.60524191 0.60516402 0.178167E-02 -0.267593E-02 9 0.60521079 0.60516402 0.196519E-05 -0.267593E-02 10 0.60521075 0.60516402 0.101922E-08 -0.267593E-02 11 0.60521075 0.60521075 -0.469915E-08 0.101922E-08 12 0.60521075 0.60521075 -0.469915E-08 0.101922E-08 Absolute convergence of the X interval. Difference in EF= 0.0006366432 EF set to : 8.2343110176 new EF (no-mixing): 8.2343110176 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 Sum of eigenvalues= -1041.98993931830 eV Ratio to renormalize= 1.00000000619166 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23431101756343 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 1) Finished k-point number 3 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 1) Finished k-point number 4 2 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 4) Finished k-point number 10 2 with #bands= 31 5) Finished k-point number 11 1 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 10) Finished k-point number 21 1 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 8) Finished k-point number 17 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 51 1 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 14) Finished k-point number 29 1 with #bands= 34 15) Finished k-point number 31 1 with #bands= 31 13) Finished k-point number 28 2 with #bands= 30 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 32 2 with #bands= 30 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 18) Finished k-point number 37 1 with #bands= 34 17) Finished k-point number 35 1 with #bands= 31 18) Finished k-point number 38 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 19) Finished k-point number 39 1 with #bands= 32 16) Finished k-point number 33 1 with #bands= 34 19) Finished k-point number 40 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 21) Finished k-point number 43 1 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947397798281825 0.927045880018616 0.950687000740483 0.939151183205282 0.948837971641793 0.947397798281825 0.927045880018615 0.950687000740483 0.939151183205282 0.948837971641793 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 22) Finished k-point number 45 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 37) Finished k-point number 75 1 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 5) Finished k-point number 11 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 11) Finished k-point number 24 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 14) Finished k-point number 30 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 2) Finished k-point number 6 2 with #bands= 34 30) Finished k-point number 62 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 12) Finished k-point number 26 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23431101756343 Density= 67.9993906275067 EF 8.50642484967701 Density= 69.0546636907123 Brent's Method Step XA XB F(XA) F(XB) 0 0.62521075 0.60521075 1.05466 -0.609372E-03 1 0.61521075 0.60521077 0.534008 -0.609372E-03 2 0.61021076 0.60521052 0.279390 -0.609373E-03 3 0.60771064 0.60521065 0.141450 -0.609373E-03 4 0.60646064 0.60521058 0.707057E-01 -0.609373E-03 5 0.60583561 0.60521038 0.350899E-01 -0.609373E-03 6 0.60552299 0.60521048 0.172389E-01 -0.609372E-03 7 0.60536674 0.60521067 0.830913E-02 -0.609373E-03 8 0.60528870 0.60521033 0.384798E-02 -0.609373E-03 9 0.60524952 0.60521050 0.160753E-02 -0.609372E-03 10 0.60523001 0.60521042 0.491957E-03 -0.609373E-03 11 0.60522129 0.60523001 -0.674513E-05 0.491957E-03 12 0.60522141 0.60522129 0.823519E-10 -0.674513E-05 Absolute convergence of |F(X)|. Difference in EF= 0.0001449798 EF set to : 8.2344559973 new EF (no-mixing): 8.2344559973 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 Sum of eigenvalues= -1041.97754558256 eV Ratio to renormalize= 1.00000000612153 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23445599733714 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 2) Finished k-point number 5 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 4 2 with #bands= 30 2) Finished k-point number 6 2 with #bands= 34 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 4) Finished k-point number 9 1 with #bands= 31 5) Finished k-point number 11 1 with #bands= 34 4) Finished k-point number 10 2 with #bands= 31 5) Finished k-point number 12 2 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 10) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 51 1 with #bands= 34 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 13) Finished k-point number 27 1 with #bands= 30 14) Finished k-point number 29 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 14) Finished k-point number 30 2 with #bands= 32 12) Finished k-point number 25 1 with #bands= 34 15) Finished k-point number 31 1 with #bands= 31 12) Finished k-point number 26 2 with #bands= 32 15) Finished k-point number 32 2 with #bands= 30 20) Finished k-point number 41 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 18) Finished k-point number 37 1 with #bands= 34 19) Finished k-point number 39 1 with #bands= 32 16) Finished k-point number 33 1 with #bands= 34 17) Finished k-point number 36 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 40 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 30) Finished k-point number 61 1 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947397059543120 0.927040445861337 0.950685499044952 0.939148276019382 0.948835991910179 0.947397059543120 0.927040445861337 0.950685499044952 0.939148276019382 0.948835991910180 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 20) Finished k-point number 41 1 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 0) Finished k-point number 1 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 5) Finished k-point number 11 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 2) Finished k-point number 6 2 with #bands= 34 30) Finished k-point number 62 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 21) Finished k-point number 44 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23445599733714 Density= 68.0004292037995 EF 7.96234216522356 Density= 66.6458513360107 Brent's Method Step XA XB F(XA) F(XB) 0 0.60522141 0.58522141 0.429204E-03 -1.35415 1 0.60521507 0.58522141 0.668302E-04 -1.35415 2 0.60521390 0.58522141 0.258068E-08 -1.35415 3 0.60521390 0.60521390 -0.313773E-08 0.258068E-08 4 0.60521390 0.60521390 -0.313773E-08 0.258068E-08 Absolute convergence of the X interval. Difference in EF= -0.0001021221 EF set to : 8.2343538752 new EF (no-mixing): 8.2343538752 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 Sum of eigenvalues= -1041.97188681231 eV Ratio to renormalize= 1.00000000616820 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23435387523967 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 35) Finished k-point number 71 1 with #bands= 32 32) Finished k-point number 65 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 17) Finished k-point number 35 1 with #bands= 31 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 5) Finished k-point number 11 1 with #bands= 34 4) Finished k-point number 9 1 with #bands= 31 5) Finished k-point number 12 2 with #bands= 32 4) Finished k-point number 10 2 with #bands= 31 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 17) Finished k-point number 36 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 19) Finished k-point number 39 1 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 40 2 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 10) Finished k-point number 21 1 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 2) Finished k-point number 5 1 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 0) Finished k-point number 1 1 with #bands= 34 2) Finished k-point number 6 2 with #bands= 34 10) Finished k-point number 22 2 with #bands= 32 1) Finished k-point number 3 1 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 31) Finished k-point number 64 2 with #bands= 34 30) Finished k-point number 61 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 1) Finished k-point number 4 2 with #bands= 30 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 12) Finished k-point number 25 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 12) Finished k-point number 26 2 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 15) Finished k-point number 31 1 with #bands= 31 14) Finished k-point number 30 2 with #bands= 32 7) Finished k-point number 15 1 with #bands= 34 6) Finished k-point number 13 1 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 15) Finished k-point number 32 2 with #bands= 30 24) Finished k-point number 49 1 with #bands= 33 25) Finished k-point number 51 1 with #bands= 34 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947396514192159 0.927036042749032 0.950684721243833 0.939146461463582 0.948834480768433 0.947396514192159 0.927036042749032 0.950684721243833 0.939146461463582 0.948834480768433 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 22) Finished k-point number 45 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 36) Finished k-point number 73 1 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 5) Finished k-point number 11 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 14) Finished k-point number 30 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 33) Finished k-point number 68 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 25) Finished k-point number 52 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23435387523967 Density= 68.0005261127136 EF 7.96224004312608 Density= 66.6460783426079 Brent's Method Step XA XB F(XA) F(XB) 0 0.60521390 0.58521390 0.526113E-03 -1.35392 1 0.60520613 0.58521390 0.818961E-04 -1.35392 2 0.60520470 0.58521390 0.386913E-08 -1.35392 3 0.60520470 0.60520470 -0.184899E-08 0.386913E-08 4 0.60520470 0.60520470 0.386913E-08 -0.184899E-08 5 0.60520470 0.60520470 0.386913E-08 -0.184899E-08 Absolute convergence of the X interval. Difference in EF= -0.0001251835 EF set to : 8.2342286917 new EF (no-mixing): 8.2342286917 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 Sum of eigenvalues= -1041.97260489156 eV Ratio to renormalize= 1.00000000606225 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23422869172000 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 1) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 4 2 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 17) Finished k-point number 35 1 with #bands= 31 16) Finished k-point number 33 1 with #bands= 34 22) Finished k-point number 45 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 51 1 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 13) Finished k-point number 27 1 with #bands= 30 12) Finished k-point number 25 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 14) Finished k-point number 29 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 4) Finished k-point number 9 1 with #bands= 31 5) Finished k-point number 11 1 with #bands= 34 4) Finished k-point number 10 2 with #bands= 31 5) Finished k-point number 12 2 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 9) Finished k-point number 19 1 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 7) Finished k-point number 15 1 with #bands= 34 6) Finished k-point number 13 1 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947396300771008 0.927034472982112 0.950684532486680 0.939145942564997 0.948833920753219 0.947396300771008 0.927034472982112 0.950684532486680 0.939145942564997 0.948833920753219 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 9) Finished k-point number 19 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 22) Finished k-point number 45 1 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 0) Finished k-point number 1 1 with #bands= 34 21) Finished k-point number 43 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 5) Finished k-point number 11 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 3) Finished k-point number 8 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 14) Finished k-point number 30 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 36) Finished k-point number 74 2 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 12) Finished k-point number 26 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23422869172000 Density= 68.0001987252217 EF 7.96211485960642 Density= 66.6456345910019 Brent's Method Step XA XB F(XA) F(XB) 0 0.60520470 0.58520470 0.198725E-03 -1.35437 1 0.60520177 0.58520470 0.309496E-04 -1.35437 2 0.60520122 0.58520470 0.552376E-09 -1.35437 3 0.60520122 0.60520122 -0.516572E-08 0.552376E-09 4 0.60520122 0.60520122 -0.516572E-08 0.552376E-09 Absolute convergence of the X interval. Difference in EF= -0.0000472867 EF set to : 8.2341814050 new EF (no-mixing): 8.2341814050 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 Sum of eigenvalues= -1041.97315897982 eV Ratio to renormalize= 1.00000000619489 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23418140498765 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 6) Finished k-point number 13 1 with #bands= 32 5) Finished k-point number 11 1 with #bands= 34 4) Finished k-point number 9 1 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 4) Finished k-point number 10 2 with #bands= 31 7) Finished k-point number 16 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 4 2 with #bands= 30 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 12) Finished k-point number 25 1 with #bands= 34 13) Finished k-point number 27 1 with #bands= 30 12) Finished k-point number 26 2 with #bands= 32 13) Finished k-point number 28 2 with #bands= 30 14) Finished k-point number 29 1 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 20) Finished k-point number 41 1 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 25) Finished k-point number 51 1 with #bands= 34 26) Finished k-point number 53 1 with #bands= 31 24) Finished k-point number 49 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 24) Finished k-point number 50 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 10) Finished k-point number 21 1 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 18) Finished k-point number 37 1 with #bands= 34 19) Finished k-point number 39 1 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 40 2 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 32) Finished k-point number 65 1 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947396098573703 0.927032812707508 0.950684383194601 0.939145368359372 0.948833442903680 0.947396098573703 0.927032812707508 0.950684383194600 0.939145368359372 0.948833442903680 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 17) Finished k-point number 35 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 26) Finished k-point number 53 1 with #bands= 31 22) Finished k-point number 45 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 5) Finished k-point number 11 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 34) Finished k-point number 69 1 with #bands= 32 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 4) Finished k-point number 10 2 with #bands= 31 13) Finished k-point number 28 2 with #bands= 30 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 3) Finished k-point number 8 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 14) Finished k-point number 30 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 20) Finished k-point number 42 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 36) Finished k-point number 74 2 with #bands= 33 2) Finished k-point number 6 2 with #bands= 34 35) Finished k-point number 72 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 0) Finished k-point number 2 2 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23418140498765 Density= 68.0002974002978 EF 7.96206757287407 Density= 66.6458190717433 Brent's Method Step XA XB F(XA) F(XB) 0 0.60520122 0.58520123 0.297400E-03 -1.35418 1 0.60519683 0.58520123 0.463096E-04 -1.35418 2 0.60519602 0.58520123 0.123595E-08 -1.35418 3 0.60519602 0.60519602 -0.448195E-08 0.123595E-08 4 0.60519602 0.60519602 -0.448195E-08 0.123595E-08 Absolute convergence of the X interval. Difference in EF= -0.0000707680 EF set to : 8.2341106370 new EF (no-mixing): 8.2341106370 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 Sum of eigenvalues= -1041.97467374919 eV Ratio to renormalize= 1.00000000618451 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23411063699947 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 1) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 4 2 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 0) Finished k-point number 1 1 with #bands= 34 2) Finished k-point number 6 2 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 6) Finished k-point number 14 2 with #bands= 31 5) Finished k-point number 11 1 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 11) Finished k-point number 23 1 with #bands= 33 9) Finished k-point number 19 1 with #bands= 31 8) Finished k-point number 17 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 26) Finished k-point number 53 1 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 17) Finished k-point number 36 2 with #bands= 33 25) Finished k-point number 51 1 with #bands= 34 24) Finished k-point number 49 1 with #bands= 33 27) Finished k-point number 56 2 with #bands= 33 25) Finished k-point number 52 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 13) Finished k-point number 27 1 with #bands= 30 31) Finished k-point number 64 2 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 14) Finished k-point number 29 1 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947395992868115 0.927031913792680 0.950684257097100 0.939145008714397 0.948833185992025 0.947395992868115 0.927031913792680 0.950684257097100 0.939145008714397 0.948833185992025 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 5) Finished k-point number 11 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 22) Finished k-point number 46 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 21) Finished k-point number 44 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 25) Finished k-point number 52 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23411063699947 Density= 68.0001538782320 EF 7.96199680488589 Density= 66.6456319109241 Brent's Method Step XA XB F(XA) F(XB) 0 0.60519602 0.58519602 0.153878E-03 -1.35437 1 0.60519375 0.58519602 0.239665E-04 -1.35437 2 0.60519333 0.58519602 0.330914E-09 -1.35437 3 0.60519333 0.60519333 -0.538691E-08 0.330914E-09 4 0.60519333 0.60519333 -0.538691E-08 0.330914E-09 Absolute convergence of the X interval. Difference in EF= -0.0000366173 EF set to : 8.2340740197 new EF (no-mixing): 8.2340740197 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 Sum of eigenvalues= -1041.97545754617 eV Ratio to renormalize= 1.00000000619744 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 1) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 4 2 with #bands= 30 Found EF.dat and EF is 8.23407401974772 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 6) Finished k-point number 13 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 5) Finished k-point number 11 1 with #bands= 34 10) Finished k-point number 21 1 with #bands= 32 7) Finished k-point number 15 1 with #bands= 34 4) Finished k-point number 9 1 with #bands= 31 5) Finished k-point number 12 2 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 7) Finished k-point number 16 2 with #bands= 33 4) Finished k-point number 10 2 with #bands= 31 12) Finished k-point number 25 1 with #bands= 34 13) Finished k-point number 27 1 with #bands= 30 15) Finished k-point number 31 1 with #bands= 31 14) Finished k-point number 29 1 with #bands= 34 11) Finished k-point number 23 1 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 17) Finished k-point number 35 1 with #bands= 31 12) Finished k-point number 26 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 32 2 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 25) Finished k-point number 51 1 with #bands= 34 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 26) Finished k-point number 53 1 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 27) Finished k-point number 55 1 with #bands= 30 24) Finished k-point number 49 1 with #bands= 33 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 31) Finished k-point number 64 2 with #bands= 34 30) Finished k-point number 61 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 27) Finished k-point number 56 2 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 35) Finished k-point number 71 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947395959083177 0.927031661076017 0.950684173014516 0.939144860602416 0.948833108573453 0.947395959083177 0.927031661076017 0.950684173014516 0.939144860602416 0.948833108573453 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 26) Finished k-point number 53 1 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 35) Finished k-point number 71 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 13) Finished k-point number 28 2 with #bands= 30 1) Finished k-point number 4 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 29) Finished k-point number 60 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 36) Finished k-point number 74 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 21) Finished k-point number 44 2 with #bands= 33 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23407401974772 Density= 68.0038016040054 EF 7.96196018763414 Density= 66.6522772096358 Brent's Method Step XA XB F(XA) F(XB) 0 0.60519333 0.58519333 0.380160E-02 -1.34772 1 0.60513708 0.58519333 0.596619E-03 -1.34772 2 0.60512661 0.58519333 0.200176E-06 -1.34772 3 0.60512660 0.58519333 0.106297E-10 -1.34772 Absolute convergence of |F(X)|. Difference in EF= -0.0009078775 EF set to : 8.2331661423 new EF (no-mixing): 8.2331661423 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 Sum of eigenvalues= -1041.96959330211 eV Ratio to renormalize= 1.00000000617864 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23316614226879 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 1) Finished k-point number 3 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 1) Finished k-point number 4 2 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 0) Finished k-point number 2 2 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 2) Finished k-point number 6 2 with #bands= 34 3) Finished k-point number 8 2 with #bands= 31 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 5) Finished k-point number 11 1 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 10) Finished k-point number 21 1 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 13) Finished k-point number 28 2 with #bands= 30 14) Finished k-point number 29 1 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 17) Finished k-point number 35 1 with #bands= 31 18) Finished k-point number 37 1 with #bands= 34 19) Finished k-point number 39 1 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 40 2 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 51 1 with #bands= 34 26) Finished k-point number 53 1 with #bands= 31 25) Finished k-point number 52 2 with #bands= 32 27) Finished k-point number 55 1 with #bands= 30 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 35) Finished k-point number 71 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 32) Finished k-point number 65 1 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947395965073811 0.927031778829198 0.950684154460365 0.939144871550176 0.948833108110154 0.947395965073812 0.927031778829198 0.950684154460365 0.939144871550176 0.948833108110154 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 28) Finished k-point number 57 1 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 24) Finished k-point number 50 2 with #bands= 31 14) Finished k-point number 30 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 35) Finished k-point number 72 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 36) Finished k-point number 74 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 0) Finished k-point number 2 2 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 32) Finished k-point number 66 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23316614226879 Density= 67.9999448682152 EF 8.50527997438238 Density= 69.0559246944048 Brent's Method Step XA XB F(XA) F(XB) 0 0.62512660 0.60512660 1.05592 -0.551317E-04 1 0.61512660 0.60512662 0.534683 -0.551317E-04 2 0.61012661 0.60512685 0.279208 -0.551317E-04 3 0.60762673 0.60512650 0.141496 -0.551317E-04 4 0.60637662 0.60512668 0.709964E-01 -0.551317E-04 5 0.60575165 0.60512683 0.355204E-01 -0.551317E-04 6 0.60543924 0.60512651 0.177489E-01 -0.551317E-04 7 0.60528287 0.60512643 0.884661E-02 -0.551317E-04 8 0.60520465 0.60512647 0.439135E-02 -0.551317E-04 9 0.60516556 0.60512645 0.216446E-02 -0.551317E-04 10 0.60514601 0.60512646 0.105033E-02 -0.551317E-04 11 0.60513623 0.60512646 0.493532E-03 -0.551317E-04 12 0.60513134 0.60512670 0.214979E-03 -0.551317E-04 13 0.60512902 0.60512658 0.825664E-04 -0.551317E-04 14 0.60512780 0.60512664 0.129271E-04 -0.551317E-04 15 0.60512758 0.60512664 0.466007E-06 -0.551317E-04 16 0.60512757 0.60512664 0.294796E-08 -0.551317E-04 17 0.60512757 0.60512757 -0.274986E-08 0.294796E-08 18 0.60512757 0.60512757 0.294796E-08 -0.274986E-08 19 0.60512757 0.60512757 0.294796E-08 -0.274986E-08 Absolute convergence of the X interval. Difference in EF= 0.0000131655 EF set to : 8.2331793077 new EF (no-mixing): 8.2331793077 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 Sum of eigenvalues= -1041.96865319589 eV Ratio to renormalize= 1.00000000613535 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23317930772876 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 3) Finished k-point number 7 1 with #bands= 33 1) Finished k-point number 3 1 with #bands= 32 3) Finished k-point number 8 2 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 0) Finished k-point number 1 1 with #bands= 34 2) Finished k-point number 6 2 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 5) Finished k-point number 11 1 with #bands= 34 20) Finished k-point number 41 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 5) Finished k-point number 12 2 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 17) Finished k-point number 35 1 with #bands= 31 16) Finished k-point number 33 1 with #bands= 34 17) Finished k-point number 36 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 14) Finished k-point number 29 1 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 26) Finished k-point number 53 1 with #bands= 31 25) Finished k-point number 51 1 with #bands= 34 26) Finished k-point number 54 2 with #bands= 31 25) Finished k-point number 52 2 with #bands= 32 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 32) Finished k-point number 65 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 30) Finished k-point number 61 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947395962547925 0.927031628099110 0.950684151236827 0.939144829427374 0.948833097391199 0.947395962547925 0.927031628099110 0.950684151236827 0.939144829427374 0.948833097391200 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 20) Finished k-point number 41 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 0) Finished k-point number 1 1 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 11) Finished k-point number 23 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 5) Finished k-point number 11 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 14) Finished k-point number 30 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 11) Finished k-point number 24 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 28) Finished k-point number 58 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 12) Finished k-point number 26 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23317930772876 Density= 68.0000471234450 EF 7.96106547561518 Density= 66.6468337058358 Brent's Method Step XA XB F(XA) F(XB) 0 0.60512757 0.58512757 0.471235E-04 -1.35317 1 0.60512688 0.58512757 0.744021E-05 -1.35317 2 0.60512674 0.58512757 0.311218E-10 -1.35317 Absolute convergence of |F(X)|. Difference in EF= -0.0000112526 EF set to : 8.2331680552 new EF (no-mixing): 8.2331680552 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 Sum of eigenvalues= -1041.96951179719 eV Ratio to renormalize= 1.00000000617831 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23316805516061 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 2) Finished k-point number 5 1 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 1) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 4 2 with #bands= 30 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 5) Finished k-point number 11 1 with #bands= 34 4) Finished k-point number 9 1 with #bands= 31 5) Finished k-point number 12 2 with #bands= 32 4) Finished k-point number 10 2 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 27) Finished k-point number 55 1 with #bands= 30 25) Finished k-point number 51 1 with #bands= 34 26) Finished k-point number 53 1 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 25) Finished k-point number 52 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 28) Finished k-point number 57 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 30) Finished k-point number 61 1 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 14) Finished k-point number 29 1 with #bands= 34 13) Finished k-point number 27 1 with #bands= 30 12) Finished k-point number 25 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 12) Finished k-point number 26 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 32 2 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 10) Finished k-point number 21 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 9) Finished k-point number 20 2 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947395951600825 0.927031637009181 0.950684160235054 0.939144847297903 0.948833092042783 0.947395951600825 0.927031637009181 0.950684160235054 0.939144847297903 0.948833092042783 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 1) Finished k-point number 3 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 0) Finished k-point number 1 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 28) Finished k-point number 57 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 1) Finished k-point number 4 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 14) Finished k-point number 30 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 36) Finished k-point number 74 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 2) Finished k-point number 6 2 with #bands= 34 22) Finished k-point number 46 2 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 21) Finished k-point number 44 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23316805516061 Density= 68.0000025824692 EF 7.96105422304703 Density= 66.6467692312492 Brent's Method Step XA XB F(XA) F(XB) 0 0.60512674 0.58512675 0.258257E-05 -1.35323 1 0.60512671 0.58512675 0.407785E-06 -1.35323 2 0.60512670 0.58512675 0.426326E-13 -1.35323 Absolute convergence of |F(X)|. Difference in EF= -0.0000006167 EF set to : 8.2331674385 new EF (no-mixing): 8.2331674385 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 Sum of eigenvalues= -1041.96947196231 eV Ratio to renormalize= 1.00000000617925 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23316743847243 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 1) Finished k-point number 3 1 with #bands= 32 3) Finished k-point number 8 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 6) Finished k-point number 13 1 with #bands= 32 5) Finished k-point number 11 1 with #bands= 34 4) Finished k-point number 9 1 with #bands= 31 20) Finished k-point number 42 2 with #bands= 33 5) Finished k-point number 12 2 with #bands= 32 4) Finished k-point number 10 2 with #bands= 31 6) Finished k-point number 14 2 with #bands= 31 22) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 30) Finished k-point number 62 2 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 14) Finished k-point number 29 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 51 1 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 10) Finished k-point number 21 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947395960701903 0.927031653723344 0.950684192398967 0.939144889196888 0.948833100689734 0.947395960701903 0.927031653723345 0.950684192398967 0.939144889196888 0.948833100689735 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 37) Finished k-point number 75 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 1) Finished k-point number 4 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 14) Finished k-point number 30 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 20) Finished k-point number 42 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 2) Finished k-point number 6 2 with #bands= 34 22) Finished k-point number 46 2 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 32) Finished k-point number 66 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 12) Finished k-point number 26 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23316743847243 Density= 67.9999965323469 EF 8.50528127058602 Density= 69.0559692894792 Brent's Method Step XA XB F(XA) F(XB) 0 0.62512670 0.60512670 1.05597 -0.346755E-05 1 0.61512670 0.60512672 0.534725 -0.346755E-05 2 0.61012671 0.60512647 0.279256 -0.346755E-05 3 0.60762659 0.60512659 0.141532 -0.346755E-05 4 0.60637659 0.60512653 0.710408E-01 -0.346755E-05 5 0.60575156 0.60512680 0.355616E-01 -0.346755E-05 6 0.60543918 0.60512643 0.177920E-01 -0.346755E-05 7 0.60528281 0.60512685 0.888888E-02 -0.346755E-05 8 0.60520483 0.60512640 0.444766E-02 -0.346755E-05 9 0.60516562 0.60512663 0.221378E-02 -0.346755E-05 10 0.60514612 0.60512652 0.110316E-02 -0.346755E-05 11 0.60513632 0.60512657 0.544609E-03 -0.346755E-05 12 0.60513145 0.60512678 0.266934E-03 -0.346755E-05 13 0.60512911 0.60512668 0.134084E-03 -0.346755E-05 14 0.60512790 0.60512673 0.646638E-04 -0.346755E-05 15 0.60512731 0.60512646 0.314510E-04 -0.346755E-05 16 0.60512689 0.60512684 0.730365E-05 -0.346755E-05 17 0.60512686 0.60512641 0.579275E-05 -0.346755E-05 18 0.60512664 0.60512689 -0.703641E-05 0.579275E-05 19 0.60512676 0.60512641 0.133624E-06 -0.703641E-05 20 0.60512676 0.60512676 -0.239090E-06 0.133624E-06 21 0.60512676 0.60512676 -0.527330E-07 0.133624E-06 22 0.60512676 0.60512676 -0.105466E-06 0.133624E-06 23 0.60512676 0.60512676 -0.172278E-06 0.133624E-06 24 0.60512676 0.60512676 -0.205684E-06 0.133624E-06 25 0.60512676 0.60512676 -0.188981E-06 0.133624E-06 26 0.60512676 0.60512676 -0.197332E-06 0.133624E-06 27 0.60512676 0.60512676 -0.194679E-06 0.133624E-06 Absolute convergence of the X interval. Difference in EF= 0.0000007809 EF set to : 8.2331682194 new EF (no-mixing): 8.2331682194 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 Sum of eigenvalues= -1041.96961457787 eV Ratio to renormalize= 1.00000000908139 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23316821936394 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 4) Finished k-point number 9 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 4) Finished k-point number 10 2 with #bands= 31 6) Finished k-point number 14 2 with #bands= 31 5) Finished k-point number 11 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 1) Finished k-point number 3 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 3) Finished k-point number 8 2 with #bands= 31 0) Finished k-point number 2 2 with #bands= 34 1) Finished k-point number 4 2 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 17) Finished k-point number 35 1 with #bands= 31 16) Finished k-point number 33 1 with #bands= 34 17) Finished k-point number 36 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 25) Finished k-point number 51 1 with #bands= 34 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 13) Finished k-point number 27 1 with #bands= 30 12) Finished k-point number 25 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 12) Finished k-point number 26 2 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 30) Finished k-point number 62 2 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947395989827574 0.927031700782174 0.950684197216267 0.939144874232094 0.948833158990216 0.947395989827575 0.927031700782174 0.950684197216268 0.939144874232094 0.948833158990216 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 22) Finished k-point number 45 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 36) Finished k-point number 73 1 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 5) Finished k-point number 11 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 14) Finished k-point number 30 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 20) Finished k-point number 42 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 2) Finished k-point number 6 2 with #bands= 34 28) Finished k-point number 58 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 21) Finished k-point number 44 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23316821936394 Density= 68.0000180350461 EF 7.96105438725036 Density= 66.6467922932345 Brent's Method Step XA XB F(XA) F(XB) 0 0.60512676 0.58512676 0.180351E-04 -1.35321 1 0.60512649 0.58512676 0.284768E-05 -1.35321 2 0.60512644 0.58512676 0.457590E-11 -1.35321 Absolute convergence of |F(X)|. Difference in EF= -0.0000043066 EF set to : 8.2331639128 new EF (no-mixing): 8.2331639128 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 Sum of eigenvalues= -1041.96987973239 eV Ratio to renormalize= 1.00000000617926 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23316391276741 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 1) Finished k-point number 3 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 1) Finished k-point number 4 2 with #bands= 30 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 6) Finished k-point number 13 1 with #bands= 32 5) Finished k-point number 11 1 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 7) Finished k-point number 16 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 17) Finished k-point number 35 1 with #bands= 31 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 51 1 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 10) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 8) Finished k-point number 17 1 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 11) Finished k-point number 24 2 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 15) Finished k-point number 31 1 with #bands= 31 14) Finished k-point number 29 1 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 12) Finished k-point number 25 1 with #bands= 34 15) Finished k-point number 32 2 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 12) Finished k-point number 26 2 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 30) Finished k-point number 62 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947395931516840 0.927031576361957 0.950684037882908 0.939144701537976 0.948833059814752 0.947395931516840 0.927031576361957 0.950684037882908 0.939144701537976 0.948833059814753 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 9) Finished k-point number 19 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 1) Finished k-point number 3 1 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 3) Finished k-point number 8 2 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 14) Finished k-point number 30 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 36) Finished k-point number 74 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 35) Finished k-point number 72 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 21) Finished k-point number 44 2 with #bands= 33 12) Finished k-point number 26 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23316391276741 Density= 68.0000141859963 EF 7.96105008065383 Density= 66.6467836168610 Brent's Method Step XA XB F(XA) F(XB) 0 0.60512644 0.58512644 0.141861E-04 -1.35322 1 0.60512623 0.58512644 0.223989E-05 -1.35322 2 0.60512619 0.58512644 0.285638E-11 -1.35322 Absolute convergence of |F(X)|. Difference in EF= -0.0000033875 EF set to : 8.2331605253 new EF (no-mixing): 8.2331605253 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 Sum of eigenvalues= -1041.97017343865 eV Ratio to renormalize= 1.00000000617900 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23316052530441 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 0) Finished k-point number 1 1 with #bands= 34 1) Finished k-point number 3 1 with #bands= 32 2) Finished k-point number 5 1 with #bands= 31 3) Finished k-point number 7 1 with #bands= 33 1) Finished k-point number 4 2 with #bands= 30 0) Finished k-point number 2 2 with #bands= 34 3) Finished k-point number 8 2 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 30) Finished k-point number 61 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 10) Finished k-point number 21 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 32) Finished k-point number 65 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 4) Finished k-point number 9 1 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 5) Finished k-point number 11 1 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 4) Finished k-point number 10 2 with #bands= 31 25) Finished k-point number 51 1 with #bands= 34 26) Finished k-point number 53 1 with #bands= 31 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 14) Finished k-point number 29 1 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947395946977455 0.927031649491519 0.950684129470486 0.939144823205300 0.948833080434776 0.947395946977455 0.927031649491519 0.950684129470486 0.939144823205300 0.948833080434776 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 9) Finished k-point number 19 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 6) Finished k-point number 13 1 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 22) Finished k-point number 45 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 29) Finished k-point number 60 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 36) Finished k-point number 74 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 2) Finished k-point number 6 2 with #bands= 34 23) Finished k-point number 48 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 16) Finished k-point number 34 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 0) Finished k-point number 2 2 with #bands= 34 32) Finished k-point number 66 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 25) Finished k-point number 52 2 with #bands= 32 EF 8.23316052530441 Density= 67.9999716458062 EF 8.50527435741799 Density= 69.0559468969086 Brent's Method Step XA XB F(XA) F(XB) 0 0.62512619 0.60512619 1.05595 -0.283541E-04 1 0.61512619 0.60512621 0.534704 -0.283541E-04 2 0.61012620 0.60512596 0.279233 -0.283541E-04 3 0.60762608 0.60512609 0.141508 -0.283541E-04 4 0.60637608 0.60512602 0.710162E-01 -0.283541E-04 5 0.60575105 0.60512629 0.355369E-01 -0.283541E-04 6 0.60543867 0.60512592 0.177672E-01 -0.283541E-04 7 0.60528230 0.60512635 0.886403E-02 -0.283541E-04 8 0.60520432 0.60512637 0.442279E-02 -0.283541E-04 9 0.60516535 0.60512612 0.220249E-02 -0.283541E-04 10 0.60514573 0.60512625 0.108507E-02 -0.283541E-04 11 0.60513599 0.60512618 0.529913E-03 -0.283541E-04 12 0.60513109 0.60512598 0.250539E-03 -0.283541E-04 13 0.60512853 0.60512632 0.104953E-03 -0.283541E-04 14 0.60512742 0.60512615 0.419001E-04 -0.283541E-04 15 0.60512679 0.60512599 0.550334E-05 -0.283541E-04 16 0.60512666 0.60512679 -0.162274E-05 0.550334E-05 17 0.60512669 0.60512666 0.241585E-12 -0.162274E-05 Absolute convergence of |F(X)|. Difference in EF= 0.0000067706 EF set to : 8.2331672959 new EF (no-mixing): 8.2331672959 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 Sum of eigenvalues= -1041.96965067015 eV Ratio to renormalize= 1.00000000617848 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23316729591437 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 3) Finished k-point number 7 1 with #bands= 33 2) Finished k-point number 5 1 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 1) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 4 2 with #bands= 30 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 14) Finished k-point number 29 1 with #bands= 34 13) Finished k-point number 27 1 with #bands= 30 12) Finished k-point number 25 1 with #bands= 34 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 5) Finished k-point number 11 1 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 25) Finished k-point number 51 1 with #bands= 34 27) Finished k-point number 55 1 with #bands= 30 25) Finished k-point number 52 2 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 26) Finished k-point number 53 1 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 12) Finished k-point number 26 2 with #bands= 32 15) Finished k-point number 32 2 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 14) Finished k-point number 30 2 with #bands= 32 7) Finished k-point number 15 1 with #bands= 34 8) Finished k-point number 17 1 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 10) Finished k-point number 21 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 9) Finished k-point number 20 2 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 17) Finished k-point number 35 1 with #bands= 31 16) Finished k-point number 33 1 with #bands= 34 19) Finished k-point number 39 1 with #bands= 32 18) Finished k-point number 37 1 with #bands= 34 17) Finished k-point number 36 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947395951502544 0.927031681356268 0.950684125872702 0.939144806277595 0.948833121035873 0.947395951502544 0.927031681356268 0.950684125872702 0.939144806277595 0.948833121035873 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 14) Finished k-point number 29 1 with #bands= 34 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 31) Finished k-point number 63 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 20) Finished k-point number 42 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 35) Finished k-point number 72 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 12) Finished k-point number 26 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23316729591437 Density= 68.0000030470893 EF 7.96105346380079 Density= 66.6467692570098 Brent's Method Step XA XB F(XA) F(XB) 0 0.60512669 0.58512669 0.304719E-05 -1.35323 1 0.60512664 0.58512669 0.481150E-06 -1.35323 2 0.60512664 0.58512669 0.142109E-12 -1.35323 Absolute convergence of |F(X)|. Difference in EF= -0.0000007276 EF set to : 8.2331665683 new EF (no-mixing): 8.2331665683 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 Sum of eigenvalues= -1041.96964278843 eV Ratio to renormalize= 1.00000000617851 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23316656827994 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 1) Finished k-point number 3 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 1) Finished k-point number 4 2 with #bands= 30 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 5) Finished k-point number 11 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 25) Finished k-point number 51 1 with #bands= 34 26) Finished k-point number 54 2 with #bands= 31 25) Finished k-point number 52 2 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 9) Finished k-point number 19 1 with #bands= 31 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 10) Finished k-point number 21 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 13) Finished k-point number 27 1 with #bands= 30 12) Finished k-point number 25 1 with #bands= 34 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 13) Finished k-point number 28 2 with #bands= 30 12) Finished k-point number 26 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 33) Finished k-point number 67 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 32) Finished k-point number 65 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 35) Finished k-point number 71 1 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 32 2 with #bands= 30 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947394479972574 0.927050686128648 0.950684978859747 0.939149159211486 0.948838008259461 0.947394479972574 0.927050686128648 0.950684978859747 0.939149159211486 0.948838008259461 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 1) Finished k-point number 3 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 26) Finished k-point number 53 1 with #bands= 31 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 22) Finished k-point number 45 1 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 28) Finished k-point number 57 1 with #bands= 33 25) Finished k-point number 51 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 24) Finished k-point number 50 2 with #bands= 31 14) Finished k-point number 30 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 36) Finished k-point number 74 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 23) Finished k-point number 48 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 16) Finished k-point number 34 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23316656827994 Density= 67.9964991961762 EF 8.50528040039353 Density= 69.0532153421429 Brent's Method Step XA XB F(XA) F(XB) 0 0.62512663 0.60512664 1.05322 -0.350080E-02 1 0.61512664 0.60512665 0.531971 -0.350080E-02 2 0.61012664 0.60512641 0.275987 -0.350080E-02 3 0.60762653 0.60512653 0.138081 -0.350080E-02 4 0.60637653 0.60512647 0.675506E-01 -0.350080E-02 5 0.60575150 0.60512674 0.320649E-01 -0.350080E-02 6 0.60543912 0.60512684 0.142944E-01 -0.350080E-02 7 0.60528298 0.60512679 0.540489E-02 -0.350080E-02 8 0.60520488 0.60512658 0.956976E-03 -0.350080E-02 9 0.60518806 0.60520488 -0.145812E-05 0.956976E-03 10 0.60518808 0.60518806 0.380567E-10 -0.145812E-05 Absolute convergence of |F(X)|. Difference in EF= 0.0008360611 EF set to : 8.2340026294 new EF (no-mixing): 8.2340026294 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 Sum of eigenvalues= -1041.92577542610 eV Ratio to renormalize= 1.00000000618609 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23400262942899 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 4 2 with #bands= 30 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 5) Finished k-point number 11 1 with #bands= 34 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 5) Finished k-point number 12 2 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 25) Finished k-point number 51 1 with #bands= 34 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 26) Finished k-point number 54 2 with #bands= 31 13) Finished k-point number 28 2 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 9) Finished k-point number 19 1 with #bands= 31 10) Finished k-point number 21 1 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 7) Finished k-point number 15 1 with #bands= 34 6) Finished k-point number 13 1 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 32) Finished k-point number 65 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 15) Finished k-point number 31 1 with #bands= 31 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 32 2 with #bands= 30 17) Finished k-point number 35 1 with #bands= 31 16) Finished k-point number 33 1 with #bands= 34 17) Finished k-point number 36 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 30) Finished k-point number 61 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947393936479900 0.927050234885729 0.950684283365912 0.939147815700293 0.948837701818150 0.947393936479900 0.927050234885730 0.950684283365912 0.939147815700293 0.948837701818151 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 1) Finished k-point number 3 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 26) Finished k-point number 53 1 with #bands= 31 22) Finished k-point number 45 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 0) Finished k-point number 1 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 29) Finished k-point number 60 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 34) Finished k-point number 70 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 36) Finished k-point number 74 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 25) Finished k-point number 52 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 EF 8.23400262942899 Density= 68.0002011515678 EF 7.96188879731541 Density= 66.6468784566146 Brent's Method Step XA XB F(XA) F(XB) 0 0.60518808 0.58518809 0.201152E-03 -1.35312 1 0.60518511 0.58518809 0.318230E-04 -1.35312 2 0.60518455 0.58518809 0.574119E-09 -1.35312 3 0.60518455 0.60518455 -0.512203E-08 0.574119E-09 4 0.60518455 0.60518455 -0.512203E-08 0.574119E-09 Absolute convergence of the X interval. Difference in EF= -0.0000480482 EF set to : 8.2339545813 new EF (no-mixing): 8.2339545813 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 Sum of eigenvalues= -1041.92823736123 eV Ratio to renormalize= 1.00000000626098 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23395458125943 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 1) Finished k-point number 3 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 1) Finished k-point number 4 2 with #bands= 30 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 3) Finished k-point number 8 2 with #bands= 31 28) Finished k-point number 57 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 51 1 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 4) Finished k-point number 9 1 with #bands= 31 5) Finished k-point number 12 2 with #bands= 32 4) Finished k-point number 10 2 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 14) Finished k-point number 29 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 35) Finished k-point number 71 1 with #bands= 32 32) Finished k-point number 65 1 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 15) Finished k-point number 32 2 with #bands= 30 14) Finished k-point number 30 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 34) Finished k-point number 69 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 7) Finished k-point number 15 1 with #bands= 34 6) Finished k-point number 13 1 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947391817137818 0.927053906210590 0.950682426394780 0.939145247662865 0.948837474923774 0.947391817137818 0.927053906210590 0.950682426394780 0.939145247662865 0.948837474923774 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 9) Finished k-point number 19 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 1) Finished k-point number 3 1 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 22) Finished k-point number 45 1 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 19) Finished k-point number 39 1 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 28) Finished k-point number 57 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 1) Finished k-point number 4 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 14) Finished k-point number 30 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 11) Finished k-point number 24 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 36) Finished k-point number 74 2 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 30) Finished k-point number 62 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 0) Finished k-point number 2 2 with #bands= 34 19) Finished k-point number 40 2 with #bands= 33 12) Finished k-point number 26 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 25) Finished k-point number 52 2 with #bands= 32 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23395458125943 Density= 67.9995818403142 EF 8.50606841337301 Density= 69.0563380303187 Brent's Method Step XA XB F(XA) F(XB) 0 0.62518455 0.60518455 1.05634 -0.418160E-03 1 0.61518455 0.60518410 0.534622 -0.418160E-03 2 0.61018432 0.60518432 0.278873 -0.418159E-03 3 0.60768432 0.60518421 0.141083 -0.418159E-03 4 0.60643427 0.60518427 0.705909E-01 -0.418159E-03 5 0.60580927 0.60518448 0.351238E-01 -0.418160E-03 6 0.60549687 0.60518413 0.173602E-01 -0.418160E-03 7 0.60534050 0.60518454 0.846128E-02 -0.418159E-03 8 0.60526252 0.60518410 0.402182E-02 -0.418159E-03 9 0.60522331 0.60518432 0.178906E-02 -0.418160E-03 10 0.60520382 0.60518421 0.678889E-03 -0.418160E-03 11 0.60519401 0.60518427 0.120622E-03 -0.418159E-03 12 0.60519186 0.60519401 -0.200446E-05 0.120622E-03 13 0.60519190 0.60519186 0.650857E-11 -0.200446E-05 Absolute convergence of |F(X)|. Difference in EF= 0.0000998988 EF set to : 8.2340544800 new EF (no-mixing): 8.2340544800 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 Sum of eigenvalues= -1041.92605695253 eV Ratio to renormalize= 1.00000000618328 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23405448002985 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 1) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 4 2 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 31) Finished k-point number 63 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 17) Finished k-point number 35 1 with #bands= 31 30) Finished k-point number 62 2 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 16) Finished k-point number 34 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 6) Finished k-point number 13 1 with #bands= 32 5) Finished k-point number 11 1 with #bands= 34 4) Finished k-point number 9 1 with #bands= 31 5) Finished k-point number 12 2 with #bands= 32 4) Finished k-point number 10 2 with #bands= 31 6) Finished k-point number 14 2 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 15) Finished k-point number 31 1 with #bands= 31 14) Finished k-point number 29 1 with #bands= 34 13) Finished k-point number 27 1 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 14) Finished k-point number 30 2 with #bands= 32 13) Finished k-point number 28 2 with #bands= 30 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 25) Finished k-point number 51 1 with #bands= 34 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947391031595266 0.927052568889281 0.950681365661618 0.939143438579210 0.948836447330358 0.947391031595266 0.927052568889281 0.950681365661618 0.939143438579210 0.948836447330358 33) Finished k-point number 67 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 9) Finished k-point number 19 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 1) Finished k-point number 3 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 8) Finished k-point number 17 1 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 14) Finished k-point number 29 1 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 11) Finished k-point number 23 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 7) Finished k-point number 15 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 1) Finished k-point number 4 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 24) Finished k-point number 50 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 0) Finished k-point number 2 2 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 25) Finished k-point number 52 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23405448002985 Density= 68.0002570939899 EF 7.96194064791627 Density= 66.6470315410758 Brent's Method Step XA XB F(XA) F(XB) 0 0.60519190 0.58519190 0.257094E-03 -1.35297 1 0.60518810 0.58519190 0.407100E-04 -1.35297 2 0.60518738 0.58519190 0.942464E-09 -1.35297 3 0.60518738 0.60518738 -0.475229E-08 0.942464E-09 4 0.60518738 0.60518738 -0.475229E-08 0.942464E-09 Absolute convergence of the X interval. Difference in EF= -0.0000614252 EF set to : 8.2339930548 new EF (no-mixing): 8.2339930548 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 Sum of eigenvalues= -1041.93148847471 eV Ratio to renormalize= 1.00000000625275 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23399305480094 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 1) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 4 2 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 12) Finished k-point number 25 1 with #bands= 34 5) Finished k-point number 11 1 with #bands= 34 4) Finished k-point number 9 1 with #bands= 31 5) Finished k-point number 12 2 with #bands= 32 4) Finished k-point number 10 2 with #bands= 31 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 15) Finished k-point number 31 1 with #bands= 31 14) Finished k-point number 29 1 with #bands= 34 15) Finished k-point number 32 2 with #bands= 30 12) Finished k-point number 26 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 29) Finished k-point number 59 1 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 30) Finished k-point number 62 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 34) Finished k-point number 69 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 51 1 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947391492008689 0.927053386162329 0.950682046087259 0.939144994047453 0.948836478260995 0.947391492008689 0.927053386162329 0.950682046087259 0.939144994047453 0.948836478260995 13) Finished k-point number 27 1 with #bands= 30 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 17) Finished k-point number 35 1 with #bands= 31 9) Finished k-point number 19 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 14) Finished k-point number 29 1 with #bands= 34 36) Finished k-point number 73 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 3) Finished k-point number 8 2 with #bands= 31 24) Finished k-point number 50 2 with #bands= 31 14) Finished k-point number 30 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 9) Finished k-point number 20 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 23) Finished k-point number 48 2 with #bands= 32 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 12) Finished k-point number 26 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 25) Finished k-point number 52 2 with #bands= 32 EF 8.23399305480094 Density= 67.9996029039466 EF 8.50610688691452 Density= 69.0563315395349 Brent's Method Step XA XB F(XA) F(XB) 0 0.62518738 0.60518738 1.05633 -0.397096E-03 1 0.61518738 0.60518740 0.534632 -0.397096E-03 2 0.61018739 0.60518715 0.278907 -0.397096E-03 3 0.60768727 0.60518728 0.141114 -0.397096E-03 4 0.60643727 0.60518721 0.706241E-01 -0.397096E-03 5 0.60581224 0.60518701 0.351544E-01 -0.397096E-03 6 0.60549963 0.60518711 0.173776E-01 -0.397096E-03 7 0.60534337 0.60518730 0.848477E-02 -0.397096E-03 8 0.60526533 0.60518697 0.404198E-02 -0.397096E-03 9 0.60522615 0.60518713 0.181073E-02 -0.397096E-03 10 0.60520664 0.60518705 0.699725E-03 -0.397096E-03 11 0.60519684 0.60518709 0.141837E-03 -0.397096E-03 12 0.60519431 0.60519684 -0.257148E-05 0.141837E-03 13 0.60519435 0.60519431 0.986233E-11 -0.257148E-05 Absolute convergence of |F(X)|. Difference in EF= 0.0000948634 EF set to : 8.2340879182 new EF (no-mixing): 8.2340879182 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 Sum of eigenvalues= -1041.92740364349 eV Ratio to renormalize= 1.00000000618278 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23408791815388 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 3) Finished k-point number 7 1 with #bands= 33 2) Finished k-point number 5 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 3) Finished k-point number 8 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 2) Finished k-point number 6 2 with #bands= 34 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 6) Finished k-point number 13 1 with #bands= 32 5) Finished k-point number 11 1 with #bands= 34 4) Finished k-point number 9 1 with #bands= 31 12) Finished k-point number 26 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 4) Finished k-point number 10 2 with #bands= 31 6) Finished k-point number 14 2 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 13) Finished k-point number 28 2 with #bands= 30 14) Finished k-point number 29 1 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 16) Finished k-point number 33 1 with #bands= 34 17) Finished k-point number 35 1 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 21) Finished k-point number 43 1 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 9) Finished k-point number 19 1 with #bands= 31 8) Finished k-point number 17 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 10) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 30) Finished k-point number 62 2 with #bands= 32 25) Finished k-point number 51 1 with #bands= 34 24) Finished k-point number 49 1 with #bands= 33 25) Finished k-point number 52 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 26) Finished k-point number 53 1 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947391518874359 0.927053072099924 0.950682018924109 0.939144808894313 0.948836452117764 0.947391518874359 0.927053072099924 0.950682018924109 0.939144808894313 0.948836452117764 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 1) Finished k-point number 3 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 22) Finished k-point number 45 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 37) Finished k-point number 75 1 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 35) Finished k-point number 71 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 36) Finished k-point number 74 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 2) Finished k-point number 6 2 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 32) Finished k-point number 66 2 with #bands= 32 16) Finished k-point number 34 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 12) Finished k-point number 26 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23408791815388 Density= 68.0000826443099 EF 7.96197408604029 Density= 66.6467378462210 Brent's Method Step XA XB F(XA) F(XB) 0 0.60519435 0.58519435 0.826444E-04 -1.35326 1 0.60519313 0.58519435 0.130870E-04 -1.35326 2 0.60519290 0.58519435 0.973728E-10 -1.35326 Absolute convergence of |F(X)|. Difference in EF= -0.0000197435 EF set to : 8.2340681746 new EF (no-mixing): 8.2340681746 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 55 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 Sum of eigenvalues= -1041.92770808567 eV Ratio to renormalize= 1.00000000618179 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23406817460569 sumw= 729.000000000000 2) Finished k-point number 5 1 with #bands= 31 beta....= 99.9999999999998 n0_om...= 201 2) Finished k-point number 6 2 with #bands= 34 1) Finished k-point number 3 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 1) Finished k-point number 4 2 with #bands= 30 3) Finished k-point number 8 2 with #bands= 31 0) Finished k-point number 1 1 with #bands= 34 11) Finished k-point number 23 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 10) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 11) Finished k-point number 24 2 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 14) Finished k-point number 29 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 15) Finished k-point number 31 1 with #bands= 31 12) Finished k-point number 26 2 with #bands= 32 13) Finished k-point number 28 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 23) Finished k-point number 47 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 17) Finished k-point number 35 1 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 40 2 with #bands= 33 25) Finished k-point number 51 1 with #bands= 34 27) Finished k-point number 55 1 with #bands= 30 31) Finished k-point number 63 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 25) Finished k-point number 52 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 22) Finished k-point number 46 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 27) Finished k-point number 56 2 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 24) Finished k-point number 49 1 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 26) Finished k-point number 54 2 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947391605198326 0.927053019088662 0.950682093063754 0.939144849856304 0.948836484633043 0.947391605198326 0.927053019088663 0.950682093063754 0.939144849856304 0.948836484633043 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 26) Finished k-point number 53 1 with #bands= 31 0) Finished k-point number 1 1 with #bands= 34 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 5) Finished k-point number 11 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 1) Finished k-point number 4 2 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 14) Finished k-point number 30 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 36) Finished k-point number 74 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 23) Finished k-point number 48 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 12) Finished k-point number 26 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 32) Finished k-point number 66 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23406817460569 Density= 67.9972398722733 EF 8.50618200671928 Density= 69.0504227908643 Brent's Method Step XA XB F(XA) F(XB) 0 0.62519290 0.60519290 1.05042 -0.276013E-02 1 0.61519290 0.60519292 0.531562 -0.276013E-02 2 0.61019291 0.60519267 0.277350 -0.276013E-02 3 0.60769279 0.60519280 0.139287 -0.276013E-02 4 0.60644279 0.60519274 0.685037E-01 -0.276013E-02 5 0.60581776 0.60519300 0.328974E-01 -0.276013E-02 6 0.60550538 0.60519311 0.150762E-01 -0.276013E-02 7 0.60534925 0.60519306 0.616478E-02 -0.276013E-02 8 0.60527115 0.60519284 0.170692E-02 -0.276013E-02 9 0.60524121 0.60527115 -0.231951E-05 0.170692E-02 10 0.60524125 0.60524121 0.361950E-10 -0.231951E-05 Absolute convergence of |F(X)|. Difference in EF= 0.0006578132 EF set to : 8.2347259878 new EF (no-mixing): 8.2347259878 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 Sum of eigenvalues= -1041.92368110489 eV Ratio to renormalize= 1.00000000692253 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23472598779319 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 4 2 with #bands= 30 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 10) Finished k-point number 21 1 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 30) Finished k-point number 61 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 5) Finished k-point number 11 1 with #bands= 34 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 5) Finished k-point number 12 2 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 14) Finished k-point number 29 1 with #bands= 34 13) Finished k-point number 27 1 with #bands= 30 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 13) Finished k-point number 28 2 with #bands= 30 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 25) Finished k-point number 51 1 with #bands= 34 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947391490548331 0.927052959001688 0.950681966207990 0.939144693964425 0.948836429960839 0.947391490548331 0.927052959001688 0.950681966207990 0.939144693964425 0.948836429960839 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 20) Finished k-point number 41 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 26) Finished k-point number 53 1 with #bands= 31 3) Finished k-point number 7 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 5) Finished k-point number 11 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 14) Finished k-point number 30 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 35) Finished k-point number 72 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 30) Finished k-point number 62 2 with #bands= 32 16) Finished k-point number 34 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 5) Finished k-point number 12 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 0) Finished k-point number 2 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23472598779319 Density= 68.0000160528792 EF 7.96261215567961 Density= 66.6486067690370 Brent's Method Step XA XB F(XA) F(XB) 0 0.60524125 0.58524125 0.160530E-04 -1.35139 1 0.60524101 0.58524125 0.249070E-05 -1.35139 2 0.60524097 0.58524125 0.422062E-11 -1.35139 Absolute convergence of |F(X)|. Difference in EF= -0.0000038260 EF set to : 8.2347221618 new EF (no-mixing): 8.2347221618 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 Sum of eigenvalues= -1041.92442684614 eV Ratio to renormalize= 1.00000000692365 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23472216181786 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 0) Finished k-point number 1 1 with #bands= 34 1) Finished k-point number 3 1 with #bands= 32 2) Finished k-point number 5 1 with #bands= 31 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 2 2 with #bands= 34 1) Finished k-point number 4 2 with #bands= 30 3) Finished k-point number 8 2 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 5) Finished k-point number 11 1 with #bands= 34 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 5) Finished k-point number 12 2 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 13) Finished k-point number 27 1 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 14) Finished k-point number 30 2 with #bands= 32 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 30) Finished k-point number 61 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 8) Finished k-point number 17 1 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 17) Finished k-point number 36 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 51 1 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947391604645108 0.927053085095282 0.950682083431465 0.939144788628181 0.948836527330877 0.947391604645108 0.927053085095282 0.950682083431465 0.939144788628182 0.948836527330877 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 17) Finished k-point number 35 1 with #bands= 31 9) Finished k-point number 19 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 26) Finished k-point number 53 1 with #bands= 31 22) Finished k-point number 45 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 14) Finished k-point number 30 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 36) Finished k-point number 74 2 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 16) Finished k-point number 34 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 0) Finished k-point number 2 2 with #bands= 34 32) Finished k-point number 66 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 12) Finished k-point number 26 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 25) Finished k-point number 52 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23472216181786 Density= 67.9999944141135 EF 8.50683599393145 Density= 69.0531087894472 Brent's Method Step XA XB F(XA) F(XB) 0 0.62524097 0.60524097 1.05311 -0.558579E-05 1 0.61524097 0.60524099 0.533885 -0.558579E-05 2 0.61024098 0.60524122 0.279951 -0.558579E-05 3 0.60774110 0.60524086 0.142015 -0.558579E-05 4 0.60649098 0.60524104 0.712546E-01 -0.558579E-05 5 0.60586601 0.60524119 0.356589E-01 -0.558579E-05 6 0.60555360 0.60524088 0.178380E-01 -0.558579E-05 7 0.60539724 0.60524127 0.891452E-02 -0.558579E-05 8 0.60531926 0.60524084 0.446333E-02 -0.558579E-05 9 0.60528005 0.60524105 0.222512E-02 -0.558579E-05 10 0.60526055 0.60524095 0.111221E-02 -0.558579E-05 11 0.60525075 0.60524100 0.552632E-03 -0.558579E-05 12 0.60524587 0.60524121 0.274397E-03 -0.558579E-05 13 0.60524354 0.60524111 0.141306E-03 -0.558579E-05 14 0.60524232 0.60524116 0.717469E-04 -0.558579E-05 15 0.60524174 0.60524089 0.384741E-04 -0.558579E-05 16 0.60524132 0.60524126 0.142791E-04 -0.558579E-05 17 0.60524129 0.60524084 0.127661E-04 -0.558579E-05 18 0.60524107 0.60524084 -0.879164E-07 0.127661E-04 19 0.60524106 0.60524084 -0.175833E-06 0.127661E-04 20 0.60524095 0.60524084 -0.655888E-05 0.127661E-04 21 0.60524090 0.60524084 -0.975041E-05 0.127661E-04 22 0.60524087 0.60524084 -0.113462E-04 0.127661E-04 23 0.60524085 0.60524084 -0.121441E-04 0.127661E-04 24 0.60524085 0.60524084 -0.125430E-04 0.127661E-04 25 0.60524084 0.60524084 -0.127425E-04 0.127661E-04 26 0.60524084 0.60524084 -0.128422E-04 0.127661E-04 27 0.60524084 0.60524084 -0.128921E-04 0.127661E-04 28 0.60524084 0.60524084 -0.128671E-04 0.127661E-04 29 0.60524084 0.60524084 -0.128796E-04 0.127661E-04 30 0.60524084 0.60524084 -0.128734E-04 0.127661E-04 31 0.60524084 0.60524084 -0.128739E-04 0.127661E-04 Absolute convergence of the X interval. Difference in EF= -0.0000017369 EF set to : 8.2347204249 new EF (no-mixing): 8.2347204249 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 Sum of eigenvalues= -1041.92374753848 eV Ratio to renormalize= 1.00000019623771 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23472042493676 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 2) Finished k-point number 5 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 1) Finished k-point number 4 2 with #bands= 30 2) Finished k-point number 6 2 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 30) Finished k-point number 62 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 26) Finished k-point number 53 1 with #bands= 31 24) Finished k-point number 50 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 26) Finished k-point number 54 2 with #bands= 31 25) Finished k-point number 51 1 with #bands= 34 27) Finished k-point number 56 2 with #bands= 33 25) Finished k-point number 52 2 with #bands= 32 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 5) Finished k-point number 11 1 with #bands= 34 6) Finished k-point number 13 1 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 19) Finished k-point number 40 2 with #bands= 33 17) Finished k-point number 36 2 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 12) Finished k-point number 25 1 with #bands= 34 15) Finished k-point number 32 2 with #bands= 30 14) Finished k-point number 29 1 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 12) Finished k-point number 26 2 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 10) Finished k-point number 21 1 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947391595049272 0.927053106314355 0.950682076637408 0.939144784056531 0.948836531821660 0.947391595049272 0.927053106314354 0.950682076637407 0.939144784056531 0.948836531821660 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 5) Finished k-point number 11 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 3) Finished k-point number 8 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 17) Finished k-point number 36 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 29) Finished k-point number 60 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 36) Finished k-point number 74 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 2) Finished k-point number 6 2 with #bands= 34 28) Finished k-point number 58 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 21) Finished k-point number 44 2 with #bands= 33 12) Finished k-point number 26 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 5) Finished k-point number 12 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23472042493676 Density= 67.9999840529223 EF 8.50683425705035 Density= 69.0530993994619 Brent's Method Step XA XB F(XA) F(XB) 0 0.62524084 0.60524084 1.05310 -0.159470E-04 1 0.61524084 0.60524086 0.533876 -0.159470E-04 2 0.61024085 0.60524109 0.279941 -0.159470E-04 3 0.60774097 0.60524121 0.142005 -0.159470E-04 4 0.60649109 0.60524091 0.712578E-01 -0.159470E-04 5 0.60586600 0.60524082 0.356553E-01 -0.159470E-04 6 0.60555341 0.60524087 0.178242E-01 -0.159470E-04 7 0.60539714 0.60524109 0.890586E-02 -0.159470E-04 8 0.60531911 0.60524122 0.445211E-02 -0.159470E-04 9 0.60528016 0.60524091 0.222880E-02 -0.159470E-04 10 0.60526054 0.60524106 0.110844E-02 -0.159470E-04 11 0.60525080 0.60524099 0.552584E-03 -0.159470E-04 12 0.60524589 0.60524126 0.272489E-03 -0.159470E-04 13 0.60524358 0.60524113 0.140329E-03 -0.159470E-04 14 0.60524235 0.60524120 0.703042E-04 -0.159470E-04 15 0.60524177 0.60524092 0.372641E-04 -0.159470E-04 16 0.60524135 0.60524130 0.129527E-04 -0.159470E-04 17 0.60524132 0.60524130 0.115749E-04 -0.159470E-04 18 0.60524131 0.60524130 0.108090E-04 -0.159470E-04 19 0.60524130 0.60524130 0.104261E-04 -0.159470E-04 20 0.60524130 0.60524130 0.102346E-04 -0.159470E-04 21 0.60524130 0.60524130 0.101389E-04 -0.159470E-04 22 0.60524130 0.60524130 0.100910E-04 -0.159470E-04 23 0.60524130 0.60524130 0.100671E-04 -0.159470E-04 24 0.60524130 0.60524130 0.100551E-04 -0.159470E-04 25 0.60524130 0.60524130 0.100491E-04 -0.159470E-04 26 0.60524130 0.60524130 0.100434E-04 -0.159470E-04 Absolute convergence of the X interval. Difference in EF= 0.0000061944 EF set to : 8.2347266193 new EF (no-mixing): 8.2347266193 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 Sum of eigenvalues= -1041.92356174758 eV Ratio to renormalize= 0.999999859226374 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23472661934564 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 1) Finished k-point number 3 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 1) Finished k-point number 4 2 with #bands= 30 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 5) Finished k-point number 11 1 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 25) Finished k-point number 51 1 with #bands= 34 24) Finished k-point number 49 1 with #bands= 33 25) Finished k-point number 52 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 26) Finished k-point number 53 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 6) Finished k-point number 13 1 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 10) Finished k-point number 21 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 12) Finished k-point number 25 1 with #bands= 34 15) Finished k-point number 31 1 with #bands= 31 14) Finished k-point number 29 1 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 12) Finished k-point number 26 2 with #bands= 32 15) Finished k-point number 32 2 with #bands= 30 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 32) Finished k-point number 65 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947391598457576 0.927053060742041 0.950682079875261 0.939144788350117 0.948836514503408 0.947391598457576 0.927053060742041 0.950682079875261 0.939144788350117 0.948836514503408 20) Finished k-point number 41 1 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 1) Finished k-point number 3 1 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 26) Finished k-point number 53 1 with #bands= 31 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 22) Finished k-point number 45 1 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 28) Finished k-point number 57 1 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 9) Finished k-point number 20 2 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 11) Finished k-point number 24 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 2) Finished k-point number 6 2 with #bands= 34 23) Finished k-point number 48 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 36) Finished k-point number 74 2 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 16) Finished k-point number 34 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 21) Finished k-point number 44 2 with #bands= 33 12) Finished k-point number 26 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 25) Finished k-point number 52 2 with #bands= 32 EF 8.23472661934564 Density= 68.0000135657636 EF 7.96261278723205 Density= 66.6486023236750 Brent's Method Step XA XB F(XA) F(XB) 0 0.60524130 0.58524130 0.135659E-04 -1.35140 1 0.60524110 0.58524130 0.210483E-05 -1.35140 2 0.60524106 0.58524130 0.302691E-11 -1.35140 Absolute convergence of |F(X)|. Difference in EF= -0.0000032332 EF set to : 8.2347233861 new EF (no-mixing): 8.2347233861 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 Sum of eigenvalues= -1041.92364884345 eV Ratio to renormalize= 1.00000000692309 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23472338613541 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 1) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 4 2 with #bands= 30 0) Finished k-point number 1 1 with #bands= 34 2) Finished k-point number 5 1 with #bands= 31 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 2 2 with #bands= 34 2) Finished k-point number 6 2 with #bands= 34 3) Finished k-point number 8 2 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 18) Finished k-point number 37 1 with #bands= 34 17) Finished k-point number 35 1 with #bands= 31 5) Finished k-point number 11 1 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 4) Finished k-point number 9 1 with #bands= 31 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 40 2 with #bands= 33 17) Finished k-point number 36 2 with #bands= 33 4) Finished k-point number 10 2 with #bands= 31 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 10) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 14) Finished k-point number 29 1 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 26) Finished k-point number 53 1 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 25) Finished k-point number 51 1 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 36) Finished k-point number 73 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947391623151464 0.927053119365148 0.950682095915978 0.939144810746165 0.948836551281126 0.947391623151464 0.927053119365148 0.950682095915978 0.939144810746165 0.948836551281126 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 1) Finished k-point number 3 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 26) Finished k-point number 53 1 with #bands= 31 22) Finished k-point number 45 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 5) Finished k-point number 11 1 with #bands= 34 28) Finished k-point number 57 1 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 4) Finished k-point number 10 2 with #bands= 31 13) Finished k-point number 28 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 1) Finished k-point number 4 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 14) Finished k-point number 30 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 20) Finished k-point number 42 2 with #bands= 33 9) Finished k-point number 20 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 2) Finished k-point number 6 2 with #bands= 34 22) Finished k-point number 46 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 12) Finished k-point number 26 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 0) Finished k-point number 2 2 with #bands= 34 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23472338613541 Density= 67.9999971901524 EF 8.50683721824899 Density= 69.0531121680880 Brent's Method Step XA XB F(XA) F(XB) 0 0.62524106 0.60524106 1.05311 -0.280975E-05 1 0.61524106 0.60524108 0.533888 -0.280975E-05 2 0.61024107 0.60524083 0.279954 -0.280975E-05 3 0.60774095 0.60524095 0.142004 -0.280975E-05 4 0.60649095 0.60524089 0.712507E-01 -0.280975E-05 5 0.60586592 0.60524116 0.356515E-01 -0.280975E-05 6 0.60555354 0.60524127 0.178323E-01 -0.280975E-05 7 0.60539740 0.60524121 0.892156E-02 -0.280975E-05 8 0.60531931 0.60524100 0.446398E-02 -0.280975E-05 9 0.60528015 0.60524111 0.222897E-02 -0.280975E-05 10 0.60526063 0.60524105 0.111445E-02 -0.280975E-05 11 0.60525084 0.60524108 0.555674E-03 -0.280975E-05 12 0.60524596 0.60524083 0.277040E-03 -0.280975E-05 13 0.60524340 0.60524119 0.130538E-03 -0.280975E-05 14 0.60524229 0.60524101 0.676845E-04 -0.280975E-05 15 0.60524165 0.60524086 0.310589E-04 -0.280975E-05 16 0.60524126 0.60524118 0.854024E-05 -0.280975E-05 17 0.60524122 0.60524126 0.618908E-05 -0.280975E-05 18 0.60524124 0.60524122 0.736466E-05 -0.280975E-05 19 0.60524123 0.60524124 0.677687E-05 -0.280975E-05 20 0.60524123 0.60524123 0.707077E-05 -0.280975E-05 21 0.60524123 0.60524123 0.692382E-05 -0.280975E-05 22 0.60524123 0.60524123 0.699729E-05 -0.280975E-05 23 0.60524123 0.60524123 0.696056E-05 -0.280975E-05 24 0.60524123 0.60524123 0.697892E-05 -0.280975E-05 25 0.60524123 0.60524123 0.696974E-05 -0.280975E-05 26 0.60524123 0.60524123 0.697322E-05 -0.280975E-05 Absolute convergence of the X interval. Difference in EF= 0.0000023308 EF set to : 8.2347257169 new EF (no-mixing): 8.2347257169 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 Sum of eigenvalues= -1041.92362225082 eV Ratio to renormalize= 0.999999904427159 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23472571692277 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 4) Finished k-point number 9 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 5) Finished k-point number 11 1 with #bands= 34 4) Finished k-point number 10 2 with #bands= 31 6) Finished k-point number 14 2 with #bands= 31 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 8) Finished k-point number 17 1 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 1) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 4 2 with #bands= 30 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 3) Finished k-point number 8 2 with #bands= 31 32) Finished k-point number 65 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 12) Finished k-point number 25 1 with #bands= 34 35) Finished k-point number 71 1 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 27 1 with #bands= 30 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 13) Finished k-point number 28 2 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 29) Finished k-point number 59 1 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 30) Finished k-point number 61 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 27) Finished k-point number 56 2 with #bands= 33 17) Finished k-point number 35 1 with #bands= 31 16) Finished k-point number 33 1 with #bands= 34 17) Finished k-point number 36 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947391655507484 0.927053099254109 0.950682129301361 0.939144873733934 0.948836559822916 0.947391655507484 0.927053099254109 0.950682129301361 0.939144873733934 0.948836559822916 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 1) Finished k-point number 3 1 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 14) Finished k-point number 29 1 with #bands= 34 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 28) Finished k-point number 57 1 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 1) Finished k-point number 4 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 13) Finished k-point number 28 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 20) Finished k-point number 42 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 2) Finished k-point number 6 2 with #bands= 34 19) Finished k-point number 40 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 5) Finished k-point number 12 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23472571692277 Density= 68.0000056370492 EF 7.96261188480919 Density= 66.6485881372195 Brent's Method Step XA XB F(XA) F(XB) 0 0.60524123 0.58524123 0.563715E-05 -1.35141 1 0.60524115 0.58524123 0.874638E-06 -1.35141 2 0.60524113 0.58524123 0.540012E-12 -1.35141 Absolute convergence of |F(X)|. Difference in EF= -0.0000013435 EF set to : 8.2347243734 new EF (no-mixing): 8.2347243734 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 Sum of eigenvalues= -1041.92361861008 eV Ratio to renormalize= 1.00000000692396 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23472437340294 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 2) Finished k-point number 5 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 1) Finished k-point number 4 2 with #bands= 30 0) Finished k-point number 1 1 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 0) Finished k-point number 2 2 with #bands= 34 5) Finished k-point number 11 1 with #bands= 34 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 6) Finished k-point number 13 1 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 21) Finished k-point number 43 1 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 8) Finished k-point number 17 1 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 36) Finished k-point number 73 1 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 36) Finished k-point number 74 2 with #bands= 33 13) Finished k-point number 27 1 with #bands= 30 10) Finished k-point number 21 1 with #bands= 32 13) Finished k-point number 28 2 with #bands= 30 14) Finished k-point number 29 1 with #bands= 34 10) Finished k-point number 22 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 11) Finished k-point number 23 1 with #bands= 33 15) Finished k-point number 32 2 with #bands= 30 11) Finished k-point number 24 2 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 16) Finished k-point number 33 1 with #bands= 34 17) Finished k-point number 36 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 37 1 with #bands= 34 19) Finished k-point number 39 1 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 40 2 with #bands= 33 25) Finished k-point number 51 1 with #bands= 34 24) Finished k-point number 49 1 with #bands= 33 25) Finished k-point number 52 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 26) Finished k-point number 53 1 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947391621886674 0.927053125701627 0.950682087745353 0.939144800876385 0.948836551370432 0.947391621886673 0.927053125701627 0.950682087745353 0.939144800876385 0.948836551370432 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 17) Finished k-point number 35 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 20) Finished k-point number 41 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 0) Finished k-point number 1 1 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 11) Finished k-point number 23 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 5) Finished k-point number 11 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 3) Finished k-point number 8 2 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 14) Finished k-point number 30 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 11) Finished k-point number 24 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 2) Finished k-point number 6 2 with #bands= 34 36) Finished k-point number 74 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 0) Finished k-point number 2 2 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23472437340294 Density= 68.0000004231623 EF 7.96261054128935 Density= 66.6485825706157 Brent's Method Step XA XB F(XA) F(XB) 0 0.60524113 0.58524113 0.423262E-06 -1.35142 1 0.60524113 0.58524113 0.656735E-07 -1.35142 2 0.60524112 0.60524113 -0.142109E-13 0.656735E-07 Absolute convergence of |F(X)|. Difference in EF= -0.0000001009 EF set to : 8.2347242725 new EF (no-mixing): 8.2347242725 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 Sum of eigenvalues= -1041.92370721211 eV Ratio to renormalize= 1.00000000692258 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23472427252499 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 1) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 4 2 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 21) Finished k-point number 43 1 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 22) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 6) Finished k-point number 13 1 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 19) Finished k-point number 39 1 with #bands= 32 18) Finished k-point number 37 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 40 2 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 51 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 14) Finished k-point number 29 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 14) Finished k-point number 30 2 with #bands= 32 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 8) Finished k-point number 17 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 9) Finished k-point number 20 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 29) Finished k-point number 60 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947391642720980 0.927053028561346 0.950682094392279 0.939144837967506 0.948836509553407 0.947391642720980 0.927053028561346 0.950682094392279 0.939144837967506 0.948836509553407 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 26) Finished k-point number 53 1 with #bands= 31 3) Finished k-point number 7 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 11) Finished k-point number 24 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 14) Finished k-point number 30 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 2) Finished k-point number 6 2 with #bands= 34 22) Finished k-point number 46 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 12) Finished k-point number 26 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 0) Finished k-point number 2 2 with #bands= 34 31) Finished k-point number 64 2 with #bands= 34 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 25) Finished k-point number 52 2 with #bands= 32 EF 8.23472427252499 Density= 67.9999992679748 EF 8.50683810463858 Density= 69.0531113148334 Brent's Method Step XA XB F(XA) F(XB) 0 0.62524112 0.60524112 1.05311 -0.731925E-06 1 0.61524112 0.60524114 0.533889 -0.731925E-06 2 0.61024113 0.60524090 0.279956 -0.731925E-06 3 0.60774101 0.60524102 0.142007 -0.731925E-06 4 0.60649102 0.60524096 0.712531E-01 -0.731925E-06 5 0.60586599 0.60524123 0.356538E-01 -0.731925E-06 6 0.60555361 0.60524085 0.178345E-01 -0.731925E-06 7 0.60539723 0.60524128 0.891008E-02 -0.731925E-06 8 0.60531925 0.60524083 0.445928E-02 -0.731925E-06 9 0.60528004 0.60524105 0.222085E-02 -0.731925E-06 10 0.60526055 0.60524094 0.110803E-02 -0.731925E-06 11 0.60525074 0.60524100 0.548399E-03 -0.731925E-06 12 0.60524587 0.60524121 0.270188E-03 -0.731925E-06 13 0.60524354 0.60524110 0.137083E-03 -0.731925E-06 14 0.60524232 0.60524115 0.675298E-04 -0.731925E-06 15 0.60524174 0.60524089 0.342535E-04 -0.731925E-06 16 0.60524131 0.60524126 0.100599E-04 -0.731925E-06 17 0.60524129 0.60524084 0.854609E-05 -0.731925E-06 18 0.60524088 0.60524084 -0.147742E-04 0.854609E-05 19 0.60524086 0.60524088 -0.159677E-04 0.854609E-05 20 0.60524087 0.60524086 -0.153710E-04 0.854609E-05 21 0.60524086 0.60524087 -0.156694E-04 0.854609E-05 22 0.60524087 0.60524086 -0.155202E-04 0.854609E-05 23 0.60524086 0.60524087 -0.155948E-04 0.854609E-05 24 0.60524086 0.60524086 -0.155575E-04 0.854609E-05 25 0.60524086 0.60524086 -0.155761E-04 0.854609E-05 26 0.60524086 0.60524086 -0.155668E-04 0.854609E-05 27 0.60524086 0.60524086 -0.155704E-04 0.854609E-05 Absolute convergence of the X interval. Difference in EF= -0.0000035356 EF set to : 8.2347207369 new EF (no-mixing): 8.2347207369 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 Sum of eigenvalues= -1041.92380453028 eV Ratio to renormalize= 1.00000023584657 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23472073689274 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 1) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 4 2 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 8) Finished k-point number 17 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 0) Finished k-point number 1 1 with #bands= 34 2) Finished k-point number 6 2 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 21) Finished k-point number 43 1 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 5) Finished k-point number 11 1 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 13) Finished k-point number 27 1 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 14) Finished k-point number 30 2 with #bands= 32 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 6) Finished k-point number 13 1 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 51 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 16) Finished k-point number 33 1 with #bands= 34 17) Finished k-point number 36 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947395476576859 0.927038744024189 0.950685396665957 0.939154337037504 0.948829029300927 0.947395476576860 0.927038744024189 0.950685396665957 0.939154337037504 0.948829029300927 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 0) Finished k-point number 1 1 with #bands= 34 22) Finished k-point number 45 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 11) Finished k-point number 23 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 4) Finished k-point number 10 2 with #bands= 31 13) Finished k-point number 28 2 with #bands= 30 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 20) Finished k-point number 42 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 35) Finished k-point number 72 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 0) Finished k-point number 2 2 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23472073689274 Density= 67.9996533468203 EF 8.50683456900632 Density= 69.0525673437232 Brent's Method Step XA XB F(XA) F(XB) 0 0.62524086 0.60524086 1.05257 -0.346653E-03 1 0.61524086 0.60524088 0.533598 -0.346653E-03 2 0.61024087 0.60524111 0.279774 -0.346653E-03 3 0.60774099 0.60524124 0.141815 -0.346653E-03 4 0.60649111 0.60524094 0.710117E-01 -0.346653E-03 5 0.60586603 0.60524085 0.353697E-01 -0.346653E-03 6 0.60555344 0.60524089 0.175166E-01 -0.346653E-03 7 0.60539716 0.60524111 0.858685E-02 -0.346653E-03 8 0.60531914 0.60524124 0.412729E-02 -0.346653E-03 9 0.60528019 0.60524093 0.190106E-02 -0.346653E-03 10 0.60526056 0.60524109 0.779222E-03 -0.346653E-03 11 0.60525082 0.60524101 0.222631E-03 -0.346653E-03 12 0.60524696 0.60524101 0.172569E-05 -0.346653E-03 13 0.60524693 0.60524101 0.161744E-07 -0.346653E-03 14 0.60524693 0.60524101 0.194689E-11 -0.346653E-03 Absolute convergence of |F(X)|. Difference in EF= 0.0000825104 EF set to : 8.2348032473 new EF (no-mixing): 8.2348032473 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 Sum of eigenvalues= -1041.91952376183 eV Ratio to renormalize= 1.00000000689874 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23480324730734 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 1) Finished k-point number 3 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 1) Finished k-point number 4 2 with #bands= 30 0) Finished k-point number 2 2 with #bands= 34 6) Finished k-point number 13 1 with #bands= 32 5) Finished k-point number 11 1 with #bands= 34 4) Finished k-point number 9 1 with #bands= 31 6) Finished k-point number 14 2 with #bands= 31 5) Finished k-point number 12 2 with #bands= 32 4) Finished k-point number 10 2 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 8) Finished k-point number 17 1 with #bands= 32 13) Finished k-point number 28 2 with #bands= 30 8) Finished k-point number 18 2 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 10) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 17) Finished k-point number 35 1 with #bands= 31 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 32) Finished k-point number 65 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 25) Finished k-point number 51 1 with #bands= 34 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 30) Finished k-point number 61 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947395331876346 0.927037243266523 0.950685871975461 0.939154746271145 0.948827846936130 0.947395331876346 0.927037243266523 0.950685871975461 0.939154746271145 0.948827846936130 31) Finished k-point number 63 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 29) Finished k-point number 60 2 with #bands= 32 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 9) Finished k-point number 19 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 1) Finished k-point number 3 1 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 26) Finished k-point number 53 1 with #bands= 31 3) Finished k-point number 7 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 0) Finished k-point number 1 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 28) Finished k-point number 57 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 3) Finished k-point number 8 2 with #bands= 31 10) Finished k-point number 22 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 9) Finished k-point number 20 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 14) Finished k-point number 30 2 with #bands= 32 24) Finished k-point number 50 2 with #bands= 31 20) Finished k-point number 42 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 23) Finished k-point number 48 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 12) Finished k-point number 26 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 0) Finished k-point number 2 2 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23480324730734 Density= 68.0001568577510 EF 7.96268941519376 Density= 66.6483656005619 Brent's Method Step XA XB F(XA) F(XB) 0 0.60524693 0.58524693 0.156858E-03 -1.35163 1 0.60524461 0.58524693 0.241925E-04 -1.35163 2 0.60524419 0.58524693 0.392930E-09 -1.35163 3 0.60524419 0.60524419 -0.532364E-08 0.392930E-09 4 0.60524419 0.60524419 -0.532364E-08 0.392930E-09 Absolute convergence of the X interval. Difference in EF= -0.0000373345 EF set to : 8.2347659128 new EF (no-mixing): 8.2347659128 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 Sum of eigenvalues= -1041.91888308605 eV Ratio to renormalize= 1.00000000697645 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23476591277422 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 1) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 4 2 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 9) Finished k-point number 19 1 with #bands= 31 8) Finished k-point number 17 1 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 8) Finished k-point number 18 2 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 5) Finished k-point number 11 1 with #bands= 34 5) Finished k-point number 12 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 12) Finished k-point number 25 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 12) Finished k-point number 26 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 14) Finished k-point number 29 1 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 19) Finished k-point number 39 1 with #bands= 32 18) Finished k-point number 37 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 51 1 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 32) Finished k-point number 65 1 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 29) Finished k-point number 59 1 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947395250785197 0.927034140128034 0.950687488464041 0.939157386060906 0.948824867171809 0.947395250785197 0.927034140128034 0.950687488464042 0.939157386060906 0.948824867171809 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 9) Finished k-point number 19 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 27) Finished k-point number 55 1 with #bands= 30 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 11) Finished k-point number 23 1 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 26) Finished k-point number 53 1 with #bands= 31 22) Finished k-point number 45 1 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 1) Finished k-point number 4 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 14) Finished k-point number 30 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 36) Finished k-point number 74 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 21) Finished k-point number 44 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 25) Finished k-point number 52 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23476591277422 Density= 67.9999516399624 EF 8.50687974488780 Density= 69.0529576743173 Brent's Method Step XA XB F(XA) F(XB) 0 0.62524418 0.60524419 1.05296 -0.483599E-04 1 0.61524418 0.60524420 0.533896 -0.483599E-04 2 0.61024419 0.60524443 0.280116 -0.483599E-04 3 0.60774431 0.60524456 0.142147 -0.483599E-04 4 0.60649444 0.60524426 0.713301E-01 -0.483599E-04 5 0.60586935 0.60524417 0.356787E-01 -0.483599E-04 6 0.60555676 0.60524421 0.178205E-01 -0.483599E-04 7 0.60540048 0.60524443 0.888795E-02 -0.483599E-04 8 0.60532246 0.60524456 0.442700E-02 -0.483599E-04 9 0.60528351 0.60524426 0.220006E-02 -0.483599E-04 10 0.60526388 0.60524441 0.107787E-02 -0.483599E-04 11 0.60525414 0.60524433 0.521105E-03 -0.483599E-04 12 0.60524924 0.60524461 0.240549E-03 -0.483599E-04 13 0.60524692 0.60524447 0.108172E-03 -0.483599E-04 14 0.60524570 0.60524454 0.380329E-04 -0.483599E-04 15 0.60524515 0.60524454 0.680837E-05 -0.483599E-04 16 0.60524505 0.60524454 0.109767E-05 -0.483599E-04 17 0.60524503 0.60524454 0.553388E-07 -0.483599E-04 18 0.60524503 0.60524454 0.512543E-09 -0.483599E-04 19 0.60524503 0.60524503 -0.520548E-08 0.512543E-09 20 0.60524503 0.60524503 -0.520548E-08 0.512543E-09 Absolute convergence of the X interval. Difference in EF= 0.0000115057 EF set to : 8.2347774185 new EF (no-mixing): 8.2347774185 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 Sum of eigenvalues= -1041.91606140585 eV Ratio to renormalize= 1.00000000700048 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23477741849274 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 1) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 4 2 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 10) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 5) Finished k-point number 11 1 with #bands= 34 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 5) Finished k-point number 12 2 with #bands= 32 6) Finished k-point number 14 2 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 12) Finished k-point number 25 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 12) Finished k-point number 26 2 with #bands= 32 14) Finished k-point number 29 1 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 31 1 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 16) Finished k-point number 33 1 with #bands= 34 16) Finished k-point number 34 2 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 51 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 30) Finished k-point number 61 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947394909426094 0.927032349168226 0.950687838081796 0.939157507472109 0.948824059338466 0.947394909426094 0.927032349168226 0.950687838081796 0.939157507472109 0.948824059338466 4) Finished k-point number 9 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 9) Finished k-point number 19 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 1) Finished k-point number 3 1 with #bands= 32 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 22) Finished k-point number 45 1 with #bands= 32 3) Finished k-point number 7 1 with #bands= 33 11) Finished k-point number 23 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 14) Finished k-point number 29 1 with #bands= 34 35) Finished k-point number 71 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 23) Finished k-point number 47 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 28) Finished k-point number 57 1 with #bands= 33 12) Finished k-point number 25 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 1) Finished k-point number 4 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 24) Finished k-point number 50 2 with #bands= 31 14) Finished k-point number 30 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 35) Finished k-point number 72 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 2) Finished k-point number 6 2 with #bands= 34 33) Finished k-point number 68 2 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 12) Finished k-point number 26 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 0) Finished k-point number 2 2 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 25) Finished k-point number 52 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 EF 8.23477741849274 Density= 68.0002255570278 EF 7.96266358637916 Density= 66.6483743553082 Brent's Method Step XA XB F(XA) F(XB) 0 0.60524503 0.58524503 0.225557E-03 -1.35163 1 0.60524169 0.58524503 0.347473E-04 -1.35163 2 0.60524109 0.58524503 0.808356E-09 -1.35163 3 0.60524109 0.60524109 -0.490964E-08 0.808356E-09 4 0.60524109 0.60524109 -0.490964E-08 0.808356E-09 Absolute convergence of the X interval. Difference in EF= -0.0000536714 EF set to : 8.2347237470 new EF (no-mixing): 8.2347237470 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 Sum of eigenvalues= -1041.91805362484 eV Ratio to renormalize= 1.00000000699525 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23472374704661 sumw= 729.000000000000 beta....= 99.9999999999998 n0_om...= 201 1) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 4 2 with #bands= 30 0) Finished k-point number 1 1 with #bands= 34 0) Finished k-point number 2 2 with #bands= 34 2) Finished k-point number 5 1 with #bands= 31 2) Finished k-point number 6 2 with #bands= 34 3) Finished k-point number 7 1 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 4) Finished k-point number 9 1 with #bands= 31 4) Finished k-point number 10 2 with #bands= 31 6) Finished k-point number 13 1 with #bands= 32 5) Finished k-point number 11 1 with #bands= 34 6) Finished k-point number 14 2 with #bands= 31 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 16 2 with #bands= 33 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 22 2 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 11) Finished k-point number 23 1 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 13) Finished k-point number 28 2 with #bands= 30 12) Finished k-point number 25 1 with #bands= 34 15) Finished k-point number 31 1 with #bands= 31 12) Finished k-point number 26 2 with #bands= 32 15) Finished k-point number 32 2 with #bands= 30 14) Finished k-point number 29 1 with #bands= 34 14) Finished k-point number 30 2 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 25) Finished k-point number 51 1 with #bands= 34 24) Finished k-point number 50 2 with #bands= 31 25) Finished k-point number 52 2 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 32) Finished k-point number 65 1 with #bands= 33 32) Finished k-point number 66 2 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 18) Finished k-point number 37 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 34) Finished k-point number 70 2 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 17) Finished k-point number 36 2 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 22) Finished k-point number 46 2 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947394765723693 0.927032992901690 0.950688030747173 0.939158177446050 0.948824246218706 0.947394765723693 0.927032992901690 0.950688030747173 0.939158177446050 0.948824246218706 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 34 11) Finished k-point number 23 1 with #bands= 33 3) Finished k-point number 7 1 with #bands= 33 22) Finished k-point number 45 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 14) Finished k-point number 29 1 with #bands= 34 36) Finished k-point number 73 1 with #bands= 32 37) Finished k-point number 75 1 with #bands= 32 29) Finished k-point number 59 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 24) Finished k-point number 49 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 31) Finished k-point number 63 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 5) Finished k-point number 11 1 with #bands= 34 28) Finished k-point number 57 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 16) Finished k-point number 33 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 21) Finished k-point number 43 1 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 15) Finished k-point number 32 2 with #bands= 30 1) Finished k-point number 4 2 with #bands= 30 6) Finished k-point number 14 2 with #bands= 31 27) Finished k-point number 56 2 with #bands= 33 3) Finished k-point number 8 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 26) Finished k-point number 54 2 with #bands= 31 9) Finished k-point number 20 2 with #bands= 33 11) Finished k-point number 24 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 29) Finished k-point number 60 2 with #bands= 32 19) Finished k-point number 40 2 with #bands= 33 2) Finished k-point number 6 2 with #bands= 34 22) Finished k-point number 46 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 0) Finished k-point number 2 2 with #bands= 34 12) Finished k-point number 26 2 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 7) Finished k-point number 16 2 with #bands= 33 31) Finished k-point number 64 2 with #bands= 34 Data-size pr_processor[MBy]= 0.5187988 Total datasize is[MBy]= 33.20312 max_nbands= 34 nomega= 500 pr_proc= 2 nprocs= 64 25) Finished k-point number 52 2 with #bands= 32 EF 8.23472374704661 Density= 67.9997541544151 EF 8.50683757916020 Density= 69.0527360976124 Brent's Method Step XA XB F(XA) F(XB) 0 0.62524109 0.60524109 1.05274 -0.245845E-03 1 0.61524109 0.60524110 0.533719 -0.245846E-03 2 0.61024110 0.60524086 0.279926 -0.245845E-03 3 0.60774098 0.60524098 0.141938 -0.245846E-03 4 0.60649098 0.60524092 0.711130E-01 -0.245846E-03 5 0.60586595 0.60524119 0.354645E-01 -0.245846E-03 6 0.60555357 0.60524129 0.176180E-01 -0.245845E-03 7 0.60539743 0.60524124 0.869307E-02 -0.245845E-03 8 0.60531934 0.60524103 0.422826E-02 -0.245845E-03 9 0.60528018 0.60524113 0.198960E-02 -0.245846E-03 10 0.60526066 0.60524108 0.873256E-03 -0.245846E-03 11 0.60525087 0.60524111 0.313558E-03 -0.245846E-03 12 0.60524599 0.60524086 0.344651E-04 -0.245846E-03 13 0.60524536 0.60524599 -0.168913E-05 0.344651E-04 14 0.60524539 0.60524536 0.596856E-12 -0.168913E-05 Absolute convergence of |F(X)|. Difference in EF= 0.0000584972 EF set to : 8.2347822443 new EF (no-mixing): 8.2347822443 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 76 13) Finished k-point 27 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 4) Finished k-point 9 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 27) Finished k-point 55 1 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 2) Finished k-point 5 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 51 17) Finished k-point 35 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 9) Finished k-point 19 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 15) Finished k-point 31 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 6) Finished k-point 13 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 10) Finished k-point 21 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 26) Finished k-point 53 1 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 8) Finished k-point 17 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 19) Finished k-point 39 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 1) Finished k-point 3 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 20) Finished k-point 41 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 22) Finished k-point 45 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 36) Finished k-point 73 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 37) Finished k-point 75 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 51 29) Finished k-point 59 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 11) Finished k-point 23 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 34) Finished k-point 69 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 3) Finished k-point 7 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 35) Finished k-point 71 1 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 24) Finished k-point 49 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 47 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 30) Finished k-point 61 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 21) Finished k-point 43 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 33) Finished k-point 67 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 31) Finished k-point 63 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 57 1 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 53 0) Finished k-point 1 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 50 14) Finished k-point 29 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 52 32) Finished k-point 65 1 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 16) Finished k-point 33 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 7) Finished k-point 15 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 12) Finished k-point 25 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 5) Finished k-point 11 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 18) Finished k-point 37 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 51 1 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 13) Finished k-point 28 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 15) Finished k-point 32 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 52 4) Finished k-point 10 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 1) Finished k-point 4 2 with nemin= 1 nemax= 54 DM_nemin= 25 DM_nemax= 54 DM_nemaxx 51 27) Finished k-point 56 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 6) Finished k-point 14 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 26) Finished k-point 54 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 17) Finished k-point 36 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 53 8) Finished k-point 18 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 3) Finished k-point 8 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 10) Finished k-point 22 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 9) Finished k-point 20 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 55 29) Finished k-point 60 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 34) Finished k-point 70 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 24) Finished k-point 50 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 52 11) Finished k-point 24 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 35) Finished k-point 72 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 36) Finished k-point 74 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 49 20) Finished k-point 42 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 19) Finished k-point 40 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 28) Finished k-point 58 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 52 22) Finished k-point 46 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 2) Finished k-point 6 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 54 23) Finished k-point 48 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 30) Finished k-point 62 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 14) Finished k-point 30 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 33) Finished k-point 68 2 with nemin= 1 nemax= 56 DM_nemin= 24 DM_nemax= 56 DM_nemaxx 49 18) Finished k-point 38 2 with nemin= 1 nemax= 55 DM_nemin= 25 DM_nemax= 55 DM_nemaxx 53 32) Finished k-point 66 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 21) Finished k-point 44 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 16) Finished k-point 34 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 12) Finished k-point 26 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 53 5) Finished k-point 12 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 0) Finished k-point 2 2 with nemin= 1 nemax= 57 DM_nemin= 24 DM_nemax= 57 DM_nemaxx 53 7) Finished k-point 16 2 with nemin= 1 nemax= 57 DM_nemin= 25 DM_nemax= 57 DM_nemaxx 54 25) Finished k-point 52 2 with nemin= 1 nemax= 56 DM_nemin= 25 DM_nemax= 56 DM_nemaxx 54 31) Finished k-point 64 2 with nemin= 1 nemax= 58 DM_nemin= 25 DM_nemax= 58 DM_nemaxx 53 Sum of eigenvalues= -1041.91741495631 eV Ratio to renormalize= 1.00000000692386 nargs= 1 argi=dmft2.def Emin,Emax= 0.2939946036 1.3150164739 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.23478224428446 sumw= 729.000000000000 1) Finished k-point number 3 1 with #bands= 32 beta....= 99.9999999999998 n0_om...= 201 1) Finished k-point number 4 2 with #bands= 30 2) Finished k-point number 5 1 with #bands= 31 3) Finished k-point number 7 1 with #bands= 33 2) Finished k-point number 6 2 with #bands= 34 4) Finished k-point number 9 1 with #bands= 31 5) Finished k-point number 11 1 with #bands= 34 3) Finished k-point number 8 2 with #bands= 31 0) Finished k-point number 1 1 with #bands= 34 7) Finished k-point number 15 1 with #bands= 34 6) Finished k-point number 13 1 with #bands= 32 5) Finished k-point number 12 2 with #bands= 32 4) Finished k-point number 10 2 with #bands= 31 6) Finished k-point number 14 2 with #bands= 31 7) Finished k-point number 16 2 with #bands= 33 0) Finished k-point number 2 2 with #bands= 34 11) Finished k-point number 23 1 with #bands= 33 10) Finished k-point number 21 1 with #bands= 32 9) Finished k-point number 19 1 with #bands= 31 8) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 18 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 11) Finished k-point number 24 2 with #bands= 32 13) Finished k-point number 27 1 with #bands= 30 14) Finished k-point number 29 1 with #bands= 34 15) Finished k-point number 31 1 with #bands= 31 12) Finished k-point number 25 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 14) Finished k-point number 30 2 with #bands= 32 15) Finished k-point number 32 2 with #bands= 30 12) Finished k-point number 26 2 with #bands= 32 16) Finished k-point number 33 1 with #bands= 34 17) Finished k-point number 35 1 with #bands= 31 18) Finished k-point number 37 1 with #bands= 34 19) Finished k-point number 39 1 with #bands= 32 21) Finished k-point number 43 1 with #bands= 33 20) Finished k-point number 41 1 with #bands= 32 22) Finished k-point number 45 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 16) Finished k-point number 34 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 19) Finished k-point number 40 2 with #bands= 33 20) Finished k-point number 42 2 with #bands= 33 21) Finished k-point number 44 2 with #bands= 33 26) Finished k-point number 53 1 with #bands= 31 27) Finished k-point number 55 1 with #bands= 30 22) Finished k-point number 46 2 with #bands= 33 23) Finished k-point number 48 2 with #bands= 32 27) Finished k-point number 56 2 with #bands= 33 26) Finished k-point number 54 2 with #bands= 31 25) Finished k-point number 51 1 with #bands= 34 25) Finished k-point number 52 2 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 29) Finished k-point number 59 1 with #bands= 32 32) Finished k-point number 65 1 with #bands= 33 35) Finished k-point number 71 1 with #bands= 32 33) Finished k-point number 67 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 30) Finished k-point number 61 1 with #bands= 33 30) Finished k-point number 62 2 with #bands= 32 29) Finished k-point number 60 2 with #bands= 32 28) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 58 2 with #bands= 32 31) Finished k-point number 64 2 with #bands= 34 37) Finished k-point number 75 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 34) Finished k-point number 69 1 with #bands= 32 32) Finished k-point number 66 2 with #bands= 32 35) Finished k-point number 72 2 with #bands= 32 33) Finished k-point number 68 2 with #bands= 33 34) Finished k-point number 70 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.947394611714705 0.927032742529739 0.950688108080850 0.939158254777722 0.948824129722917 0.947394611714705 0.927032742529739 0.950688108080850 0.939158254777722 0.948824129722917 4) Finished k-point number 9 1 with #bands= 31 2) Finished k-point number 5 1 with #bands= 31 13) Finished k-point number 27 1 with #bands= 30 27) Finished k-point number 55 1 with #bands= 30 9) Finished k-point number 19 1 with #bands= 31 17) Finished k-point number 35 1 with #bands= 31 15) Finished k-point number 31 1 with #bands= 31 1) Finished k-point number 3 1 with #bands= 32 6) Finished k-point number 13 1 with #bands= 32 10) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 39 1 with #bands= 32 20) Finished k-point number 41 1 with #bands= 32 11) Finished k-point number 23 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 34 22) Finished k-point number 45 1 with #bands= 32 26) Finished k-point number 53 1 with #bands= 31 3) Finished k-point number 7 1 with #bands= 33 14) Finished k-point number 29 1 with #bands= 34 29) Finished k-point number 59 1 with #bands= 32 23) Finished k-point number 47 1 with #bands= 33 37) Finished k-point number 75 1 with #bands= 32 24) Finished k-point number 49 1 with #bands= 33 21) Finished k-point number 43 1 with #bands= 33 34) Finished k-point number 69 1 with #bands= 32 36) Finished k-point number 73 1 with #bands= 32 35) Finished k-point number 71 1 with #bands= 32 30) Finished k-point number 61 1 with #bands= 33 31) Finished k-point number 63 1 with #bands= 33 28) Finished k-point number 57 1 with #bands= 33 33) Finished k-point number 67 1 with #bands= 33 7) Finished k-point number 15 1 with #bands= 34 5) Finished k-point number 11 1 with #bands= 34 12) Finished k-point number 25 1 with #bands= 34 16) Finished k-point number 33 1 with #bands= 34 32) Finished k-point number 65 1 with #bands= 33 18) Finished k-point number 37 1 with #bands= 34 25) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 28 2 with #bands= 30 4) Finished k-point number 10 2 with #bands= 31 1) Finished k-point number 4 2 with #bands= 30 15) Finished k-point number 32 2 with #bands= 30 27) Finished k-point number 56 2 with #bands= 33 6) Finished k-point number 14 2 with #bands= 31 3) Finished k-point number 8 2 with #bands= 31 8) Finished k-point number 18 2 with #bands= 32 17) Finished k-point number 36 2 with #bands= 33 10) Finished k-point number 22 2 with #bands= 32 9) Finished k-point number 20 2 with #bands= 33 24) Finished k-point number 50 2 with #bands= 31 26) Finished k-point number 54 2 with #bands= 31 11) Finished k-point number 24 2 with #bands= 32 14) Finished k-point number 30 2 with #bands= 32 20) Finished k-point number 42 2 with #bands= 33 29) Finished k-point number 60 2 with #bands= 32 34) Finished k-point number 70 2 with #bands= 32 22) Finished k-point number 46 2 with #bands= 33 19) Finished k-point number 40 2 with #bands= 33 2) Finished k-point number 6 2 with #bands= 34 35) Finished k-point number 72 2 with #bands= 32 23) Finished k-point number 48 2 with #bands= 32 28) Finished k-point number 58 2 with #bands= 32 30) Finished k-point number 62 2 with #bands= 32 36) Finished k-point number 74 2 with #bands= 33 33) Finished k-point number 68 2 with #bands= 33 18) Finished k-point number 38 2 with #bands= 31 16) Finished k-point number 34 2 with #bands= 32 21) Finished k-point number 44 2 with #bands= 33 12) Finished k-point number 26 2 with #bands= 32