nargs= 1 argi=dmft2.def 2) Finished k-point number 5 1 with #bands= 24 2) Finished k-point number 6 2 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 Emin,Emax= 0.3576081270 1.2395919378 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 sumw= 1728.00000000000 5) Finished k-point number 11 1 with #bands= 24 5) Finished k-point number 12 2 with #bands= 22 3) Finished k-point number 7 1 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 9) Finished k-point number 19 1 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 4) Finished k-point number 9 1 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 10) Finished k-point number 21 1 with #bands= 24 7) Finished k-point number 15 1 with #bands= 24 7) Finished k-point number 16 2 with #bands= 24 6) Finished k-point number 13 1 with #bands= 22 6) Finished k-point number 14 2 with #bands= 22 4) Finished k-point number 10 2 with #bands= 26 11) Finished k-point number 23 1 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 10) Finished k-point number 22 2 with #bands= 22 17) Finished k-point number 35 1 with #bands= 24 21) Finished k-point number 43 1 with #bands= 18 21) Finished k-point number 44 2 with #bands= 26 8) Finished k-point number 17 1 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 14) Finished k-point number 29 1 with #bands= 24 14) Finished k-point number 30 2 with #bands= 22 13) Finished k-point number 27 1 with #bands= 24 13) Finished k-point number 28 2 with #bands= 24 12) Finished k-point number 25 1 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 15) Finished k-point number 31 1 with #bands= 22 27) Finished k-point number 55 1 with #bands= 24 24) Finished k-point number 49 1 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 20) Finished k-point number 41 1 with #bands= 20 27) Finished k-point number 56 2 with #bands= 24 15) Finished k-point number 32 2 with #bands= 22 19) Finished k-point number 39 1 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 18) Finished k-point number 37 1 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 17) Finished k-point number 36 2 with #bands= 22 16) Finished k-point number 33 1 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 25) Finished k-point number 51 1 with #bands= 22 20) Finished k-point number 42 2 with #bands= 20 23) Finished k-point number 47 1 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 22) Finished k-point number 45 1 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 25) Finished k-point number 52 2 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 29) Finished k-point number 59 1 with #bands= 22 26) Finished k-point number 53 1 with #bands= 22 26) Finished k-point number 54 2 with #bands= 24 30) Finished k-point number 61 1 with #bands= 20 30) Finished k-point number 62 2 with #bands= 22 29) Finished k-point number 60 2 with #bands= 24 34) Finished k-point number 69 1 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 28) Finished k-point number 57 1 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.960185910171648 0.958995236224088 3) Finished k-point number 7 1 with #bands= 22 21) Finished k-point number 43 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 26 20) Finished k-point number 41 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 2) Finished k-point number 5 1 with #bands= 24 11) Finished k-point number 23 1 with #bands= 22 30) Finished k-point number 61 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 22 19) Finished k-point number 39 1 with #bands= 22 5) Finished k-point number 11 1 with #bands= 24 7) Finished k-point number 15 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 24 28) Finished k-point number 57 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 25) Finished k-point number 51 1 with #bands= 22 23) Finished k-point number 47 1 with #bands= 22 13) Finished k-point number 27 1 with #bands= 24 26) Finished k-point number 53 1 with #bands= 22 12) Finished k-point number 25 1 with #bands= 24 29) Finished k-point number 59 1 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 4) Finished k-point number 9 1 with #bands= 26 24) Finished k-point number 49 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 24 20) Finished k-point number 42 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 22 2) Finished k-point number 6 2 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 26 15) Finished k-point number 32 2 with #bands= 22 14) Finished k-point number 30 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 5) Finished k-point number 12 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 19) Finished k-point number 40 2 with #bands= 20 27) Finished k-point number 55 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 21) Finished k-point number 44 2 with #bands= 26 35) Finished k-point number 71 1 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 17) Finished k-point number 36 2 with #bands= 22 10) Finished k-point number 22 2 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 0) Finished k-point number 2 2 with #bands= 26 25) Finished k-point number 52 2 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 13) Finished k-point number 28 2 with #bands= 24 7) Finished k-point number 16 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 29) Finished k-point number 60 2 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 27) Finished k-point number 56 2 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 22) Finished k-point number 46 2 with #bands= 24 9) Finished k-point number 20 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 10.8664579737000 Density= 11.9134032524820 EF 11.1385718058136 Density= 12.3587265698512 Brent's Method Step XA XB F(XA) F(XB) 0 0.81867000 0.79867000 0.358727 -0.865967E-01 1 0.80867000 0.79867002 0.134250 -0.865967E-01 2 0.80367001 0.79867025 0.311148E-01 -0.865968E-01 3 0.80227518 0.80367001 -0.583619E-03 0.311148E-01 4 0.80230086 0.80367001 -0.538355E-04 0.311148E-01 5 0.80230346 0.80367001 -0.131105E-05 0.311148E-01 6 0.80230353 0.80367001 -0.218666E-08 0.311148E-01 7 0.80230353 0.80230353 0.170530E-12 -0.218666E-08 Absolute convergence of |F(X)|. Difference in EF too large to mix 4.943667217420480E-002 cutoff= 2.9999999E-02 Difference in EF= 0.0494366722 EF set to : 10.9158946459 new EF (no-mixing): 10.9158946459 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 20) Finished k-point 41 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 30) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 57 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 2) Finished k-point 5 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 35 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 5) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 21 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 49 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 29 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 20) Finished k-point 42 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 64 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 6) Finished k-point 14 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 15) Finished k-point 32 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 36 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 2) Finished k-point 6 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 14) Finished k-point 30 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 12 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 22 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 60 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 28 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 20 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -89.3498264078323 eV Ratio to renormalize= 1.00000000000035 nargs= 1 argi=dmft2.def 2) Finished k-point number 5 1 with #bands= 24 2) Finished k-point number 6 2 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 Emin,Emax= 0.3576081270 1.2395919378 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 10.9158946458742 sumw= 1728.00000000000 3) Finished k-point number 7 1 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 22) Finished k-point number 45 1 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 6) Finished k-point number 14 2 with #bands= 22 11) Finished k-point number 23 1 with #bands= 22 5) Finished k-point number 11 1 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 11) Finished k-point number 24 2 with #bands= 22 5) Finished k-point number 12 2 with #bands= 22 17) Finished k-point number 35 1 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 16) Finished k-point number 33 1 with #bands= 24 19) Finished k-point number 39 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 17) Finished k-point number 36 2 with #bands= 22 10) Finished k-point number 21 1 with #bands= 24 8) Finished k-point number 18 2 with #bands= 26 7) Finished k-point number 15 1 with #bands= 24 7) Finished k-point number 16 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 14) Finished k-point number 29 1 with #bands= 24 14) Finished k-point number 30 2 with #bands= 22 13) Finished k-point number 27 1 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 20) Finished k-point number 41 1 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 22 13) Finished k-point number 28 2 with #bands= 24 10) Finished k-point number 22 2 with #bands= 22 20) Finished k-point number 42 2 with #bands= 20 9) Finished k-point number 19 1 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 21) Finished k-point number 43 1 with #bands= 18 9) Finished k-point number 20 2 with #bands= 26 12) Finished k-point number 26 2 with #bands= 24 21) Finished k-point number 44 2 with #bands= 26 28) Finished k-point number 57 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 30) Finished k-point number 61 1 with #bands= 20 28) Finished k-point number 58 2 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 30) Finished k-point number 62 2 with #bands= 22 15) Finished k-point number 32 2 with #bands= 22 23) Finished k-point number 47 1 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 27) Finished k-point number 55 1 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 26) Finished k-point number 53 1 with #bands= 22 26) Finished k-point number 54 2 with #bands= 24 25) Finished k-point number 51 1 with #bands= 22 24) Finished k-point number 49 1 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 23) Finished k-point number 48 2 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 34) Finished k-point number 69 1 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 32) Finished k-point number 66 2 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 29) Finished k-point number 59 1 with #bands= 22 29) Finished k-point number 60 2 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.959974912660446 0.958774238360735 3) Finished k-point number 7 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 2) Finished k-point number 5 1 with #bands= 24 15) Finished k-point number 31 1 with #bands= 22 11) Finished k-point number 23 1 with #bands= 22 30) Finished k-point number 61 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 22 5) Finished k-point number 11 1 with #bands= 24 19) Finished k-point number 39 1 with #bands= 22 17) Finished k-point number 35 1 with #bands= 24 7) Finished k-point number 15 1 with #bands= 24 1) Finished k-point number 3 1 with #bands= 26 14) Finished k-point number 29 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 24 26) Finished k-point number 53 1 with #bands= 22 28) Finished k-point number 57 1 with #bands= 22 16) Finished k-point number 33 1 with #bands= 24 12) Finished k-point number 25 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 24 34) Finished k-point number 69 1 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 29) Finished k-point number 59 1 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 8) Finished k-point number 17 1 with #bands= 26 32) Finished k-point number 65 1 with #bands= 24 19) Finished k-point number 40 2 with #bands= 20 27) Finished k-point number 55 1 with #bands= 24 25) Finished k-point number 51 1 with #bands= 22 24) Finished k-point number 49 1 with #bands= 24 18) Finished k-point number 38 2 with #bands= 22 2) Finished k-point number 6 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 17) Finished k-point number 36 2 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 22 0) Finished k-point number 2 2 with #bands= 26 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 7) Finished k-point number 16 2 with #bands= 24 6) Finished k-point number 14 2 with #bands= 22 5) Finished k-point number 12 2 with #bands= 22 4) Finished k-point number 9 1 with #bands= 26 30) Finished k-point number 62 2 with #bands= 22 23) Finished k-point number 47 1 with #bands= 22 22) Finished k-point number 45 1 with #bands= 24 31) Finished k-point number 64 2 with #bands= 20 21) Finished k-point number 43 1 with #bands= 18 15) Finished k-point number 32 2 with #bands= 22 14) Finished k-point number 30 2 with #bands= 22 20) Finished k-point number 41 1 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 13) Finished k-point number 28 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 29) Finished k-point number 60 2 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 27) Finished k-point number 56 2 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 10.9158946458742 Density= 11.9813634502458 EF 11.1880084779878 Density= 12.4275458815285 Brent's Method Step XA XB F(XA) F(XB) 0 0.82230353 0.80230353 0.427546 -0.186365E-01 1 0.81230353 0.80230355 0.206728 -0.186365E-01 2 0.80730354 0.80230378 0.932470E-01 -0.186365E-01 3 0.80480366 0.80230342 0.443119E-01 -0.186365E-01 4 0.80355354 0.80230360 0.185499E-01 -0.186365E-01 5 0.80292857 0.80230360 0.107188E-02 -0.186365E-01 6 0.80289241 0.80292857 -0.194142E-03 0.107188E-02 7 0.80289795 0.80289241 0.369676E-05 -0.194142E-03 8 0.80289785 0.80289241 0.109281E-07 -0.194142E-03 9 0.80289785 0.80289785 -0.166978E-12 0.109281E-07 Absolute convergence of |F(X)|. Difference in EF= 0.0080861240 EF set to : 10.9239807698 new EF (no-mixing): 10.9239807698 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 20) Finished k-point 41 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 30) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 57 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 23) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 35 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 2) Finished k-point 5 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 21 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 49 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 29 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 22) Finished k-point 45 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 20) Finished k-point 42 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 64 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 6) Finished k-point 14 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 32 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 36 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 2) Finished k-point 6 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 30 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 12 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 22 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 32) Finished k-point 66 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 29) Finished k-point 60 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 7) Finished k-point 16 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 28 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 20 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -88.9716781323947 eV Ratio to renormalize= 1.00000000000034 nargs= 1 argi=dmft2.def 2) Finished k-point number 5 1 with #bands= 26 2) Finished k-point number 6 2 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 Emin,Emax= 0.3576081270 1.2395919378 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 10.9239807698454 sumw= 1728.00000000000 5) Finished k-point number 11 1 with #bands= 24 9) Finished k-point number 19 1 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 5) Finished k-point number 12 2 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 4) Finished k-point number 9 1 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 8) Finished k-point number 18 2 with #bands= 26 10) Finished k-point number 21 1 with #bands= 24 15) Finished k-point number 31 1 with #bands= 22 15) Finished k-point number 32 2 with #bands= 22 10) Finished k-point number 22 2 with #bands= 22 12) Finished k-point number 25 1 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 6) Finished k-point number 14 2 with #bands= 22 16) Finished k-point number 33 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 24 7) Finished k-point number 15 1 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 7) Finished k-point number 16 2 with #bands= 24 14) Finished k-point number 29 1 with #bands= 24 18) Finished k-point number 37 1 with #bands= 22 19) Finished k-point number 39 1 with #bands= 22 14) Finished k-point number 30 2 with #bands= 22 17) Finished k-point number 36 2 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 3) Finished k-point number 7 1 with #bands= 22 11) Finished k-point number 23 1 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 11) Finished k-point number 24 2 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 29) Finished k-point number 59 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 20 29) Finished k-point number 60 2 with #bands= 24 13) Finished k-point number 27 1 with #bands= 24 13) Finished k-point number 28 2 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 0) Finished k-point number 2 2 with #bands= 26 27) Finished k-point number 55 1 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 26) Finished k-point number 53 1 with #bands= 22 26) Finished k-point number 54 2 with #bands= 24 25) Finished k-point number 51 1 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 24) Finished k-point number 49 1 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 31) Finished k-point number 63 1 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 30) Finished k-point number 61 1 with #bands= 20 30) Finished k-point number 62 2 with #bands= 22 28) Finished k-point number 57 1 with #bands= 22 23) Finished k-point number 47 1 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 20) Finished k-point number 42 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 21) Finished k-point number 43 1 with #bands= 18 22) Finished k-point number 45 1 with #bands= 24 21) Finished k-point number 44 2 with #bands= 26 22) Finished k-point number 46 2 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964342947185494 0.963434206790174 3) Finished k-point number 7 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 21) Finished k-point number 43 1 with #bands= 18 20) Finished k-point number 41 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 11) Finished k-point number 23 1 with #bands= 22 30) Finished k-point number 61 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 22 19) Finished k-point number 39 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 24 3) Finished k-point number 8 2 with #bands= 26 2) Finished k-point number 5 1 with #bands= 26 1) Finished k-point number 3 1 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 6) Finished k-point number 14 2 with #bands= 22 25) Finished k-point number 51 1 with #bands= 22 26) Finished k-point number 53 1 with #bands= 22 5) Finished k-point number 11 1 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 14) Finished k-point number 29 1 with #bands= 24 35) Finished k-point number 71 1 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 23) Finished k-point number 47 1 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 22) Finished k-point number 45 1 with #bands= 24 28) Finished k-point number 57 1 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 20) Finished k-point number 42 2 with #bands= 22 24) Finished k-point number 49 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 24 12) Finished k-point number 25 1 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 32) Finished k-point number 65 1 with #bands= 24 29) Finished k-point number 59 1 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 22 15) Finished k-point number 32 2 with #bands= 22 5) Finished k-point number 12 2 with #bands= 22 17) Finished k-point number 36 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 2) Finished k-point number 6 2 with #bands= 22 10) Finished k-point number 22 2 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 7) Finished k-point number 16 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 14) Finished k-point number 30 2 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 28) Finished k-point number 58 2 with #bands= 22 29) Finished k-point number 60 2 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 27) Finished k-point number 56 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 26 22) Finished k-point number 46 2 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 10.9239807698454 Density= 12.1400024781844 EF 10.6518669377318 Density= 11.6279791056917 Brent's Method Step XA XB F(XA) F(XB) 0 0.80289785 0.78289785 0.140002 -0.372021 1 0.79742925 0.78289785 0.307020E-01 -0.372021 2 0.79601025 0.79742925 -0.361535E-02 0.307020E-01 3 0.79615975 0.79601025 0.882654E-03 -0.361535E-02 4 0.79613041 0.79601025 0.468680E-04 -0.361535E-02 5 0.79612879 0.79601025 0.216529E-06 -0.361535E-02 6 0.79612878 0.79601025 0.452527E-10 -0.361535E-02 Absolute convergence of |F(X)|. Difference in EF too large to mix -9.209786353300810E-002 cutoff= 2.9999999E-02 Difference in EF= -0.0920978635 EF set to : 10.8318829063 new EF (no-mixing): 10.8318829063 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 20) Finished k-point 41 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 30) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 57 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 5) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 29 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 2) Finished k-point 5 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 25) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 21 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 49 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 35 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 42 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 64 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 32 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 30 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 36 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 12 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 10) Finished k-point 22 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 29) Finished k-point 60 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 66 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 16 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 2) Finished k-point 6 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 28 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 20 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -95.3628179287553 eV Ratio to renormalize= 0.999999999996614 nargs= 1 argi=dmft2.def 3) Finished k-point number 7 1 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 2) Finished k-point number 5 1 with #bands= 22 2) Finished k-point number 6 2 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 Emin,Emax= 0.3576081270 1.2395919378 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 10.8318829063124 sumw= 1728.00000000000 0) Finished k-point number 1 1 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 7) Finished k-point number 15 1 with #bands= 24 7) Finished k-point number 16 2 with #bands= 24 6) Finished k-point number 13 1 with #bands= 22 6) Finished k-point number 14 2 with #bands= 22 4) Finished k-point number 9 1 with #bands= 26 15) Finished k-point number 31 1 with #bands= 22 23) Finished k-point number 47 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 20 15) Finished k-point number 32 2 with #bands= 22 12) Finished k-point number 25 1 with #bands= 24 11) Finished k-point number 23 1 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 14) Finished k-point number 29 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 24 10) Finished k-point number 22 2 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 9) Finished k-point number 19 1 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 14) Finished k-point number 30 2 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 13) Finished k-point number 27 1 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 13) Finished k-point number 28 2 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 29) Finished k-point number 59 1 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 17) Finished k-point number 35 1 with #bands= 24 18) Finished k-point number 37 1 with #bands= 22 22) Finished k-point number 45 1 with #bands= 24 17) Finished k-point number 36 2 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 19) Finished k-point number 39 1 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 24 21) Finished k-point number 43 1 with #bands= 18 22) Finished k-point number 46 2 with #bands= 24 21) Finished k-point number 44 2 with #bands= 26 5) Finished k-point number 11 1 with #bands= 24 20) Finished k-point number 42 2 with #bands= 20 5) Finished k-point number 12 2 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 27) Finished k-point number 56 2 with #bands= 24 26) Finished k-point number 53 1 with #bands= 22 26) Finished k-point number 54 2 with #bands= 24 25) Finished k-point number 51 1 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 24) Finished k-point number 49 1 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 28) Finished k-point number 57 1 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 30) Finished k-point number 61 1 with #bands= 20 30) Finished k-point number 62 2 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 35) Finished k-point number 71 1 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.956034573362625 0.956085758928829 21) Finished k-point number 43 1 with #bands= 18 3) Finished k-point number 7 1 with #bands= 22 2) Finished k-point number 5 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 11) Finished k-point number 23 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 30) Finished k-point number 61 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 24 25) Finished k-point number 51 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 26) Finished k-point number 53 1 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 24) Finished k-point number 49 1 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 27) Finished k-point number 55 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 67 1 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 2) Finished k-point number 6 2 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 6) Finished k-point number 14 2 with #bands= 22 5) Finished k-point number 11 1 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 14) Finished k-point number 29 1 with #bands= 24 23) Finished k-point number 47 1 with #bands= 22 22) Finished k-point number 45 1 with #bands= 24 12) Finished k-point number 25 1 with #bands= 24 20) Finished k-point number 42 2 with #bands= 20 28) Finished k-point number 57 1 with #bands= 22 13) Finished k-point number 27 1 with #bands= 24 31) Finished k-point number 63 1 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 29) Finished k-point number 59 1 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 22 15) Finished k-point number 32 2 with #bands= 22 0) Finished k-point number 2 2 with #bands= 26 3) Finished k-point number 8 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 7) Finished k-point number 16 2 with #bands= 24 5) Finished k-point number 12 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 23) Finished k-point number 48 2 with #bands= 22 14) Finished k-point number 30 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 13) Finished k-point number 28 2 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 19) Finished k-point number 40 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 24 18) Finished k-point number 38 2 with #bands= 22 17) Finished k-point number 36 2 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 32) Finished k-point number 66 2 with #bands= 22 24) Finished k-point number 50 2 with #bands= 24 29) Finished k-point number 60 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 22) Finished k-point number 46 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 10.8318829063124 Density= 11.7943441785319 EF 11.1039967384260 Density= 12.2786934985397 Brent's Method Step XA XB F(XA) F(XB) 0 0.81612878 0.79612878 0.278693 -0.205656 1 0.80612878 0.79612880 0.487386E-01 -0.205656 2 0.80412646 0.80612878 -0.668057E-02 0.487386E-01 3 0.80436783 0.80612878 -0.213659E-03 0.487386E-01 4 0.80437577 0.80612878 -0.186796E-04 0.487386E-01 5 0.80437653 0.80612878 -0.258145E-06 0.487386E-01 6 0.80437654 0.80612878 -0.312244E-09 0.487386E-01 7 0.80437654 0.80437654 0.210832E-08 -0.312244E-09 8 0.80437654 0.80437654 0.210832E-08 -0.312244E-09 Absolute convergence of the X interval. Difference in EF too large to mix 0.112216505875134 cutoff= 2.9999999E-02 Difference in EF= 0.1122165059 EF set to : 10.9440994122 new EF (no-mixing): 10.9440994122 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 20) Finished k-point 41 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 30) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 57 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 29 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 22) Finished k-point 45 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 25) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 35 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 21 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 49 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 42 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 64 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 6) Finished k-point 14 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 2) Finished k-point 6 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 32 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 36 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 12 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 10) Finished k-point 22 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 30 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 60 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 16 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 28 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 20 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -85.3746835232045 eV Ratio to renormalize= 0.999999999824678 nargs= 1 argi=dmft2.def Emin,Emax= 0.3576081270 1.2395919378 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 3) Finished k-point number 7 1 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 Found EF.dat and EF is 10.9440994121876 sumw= 1728.00000000000 2) Finished k-point number 5 1 with #bands= 24 2) Finished k-point number 6 2 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 7) Finished k-point number 15 1 with #bands= 24 7) Finished k-point number 16 2 with #bands= 24 9) Finished k-point number 19 1 with #bands= 26 8) Finished k-point number 17 1 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 6) Finished k-point number 14 2 with #bands= 22 10) Finished k-point number 21 1 with #bands= 24 5) Finished k-point number 11 1 with #bands= 24 5) Finished k-point number 12 2 with #bands= 22 4) Finished k-point number 9 1 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 11) Finished k-point number 23 1 with #bands= 22 12) Finished k-point number 25 1 with #bands= 24 11) Finished k-point number 24 2 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 14) Finished k-point number 29 1 with #bands= 24 10) Finished k-point number 22 2 with #bands= 22 22) Finished k-point number 45 1 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 15) Finished k-point number 31 1 with #bands= 22 15) Finished k-point number 32 2 with #bands= 22 14) Finished k-point number 30 2 with #bands= 22 13) Finished k-point number 27 1 with #bands= 24 13) Finished k-point number 28 2 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 32) Finished k-point number 65 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 24 24) Finished k-point number 49 1 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 26) Finished k-point number 53 1 with #bands= 22 25) Finished k-point number 51 1 with #bands= 22 19) Finished k-point number 39 1 with #bands= 22 24) Finished k-point number 50 2 with #bands= 24 18) Finished k-point number 37 1 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 21) Finished k-point number 43 1 with #bands= 18 17) Finished k-point number 36 2 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 24 29) Finished k-point number 59 1 with #bands= 22 27) Finished k-point number 55 1 with #bands= 24 34) Finished k-point number 70 2 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 35) Finished k-point number 71 1 with #bands= 22 29) Finished k-point number 60 2 with #bands= 24 20) Finished k-point number 41 1 with #bands= 20 27) Finished k-point number 56 2 with #bands= 24 35) Finished k-point number 72 2 with #bands= 22 20) Finished k-point number 42 2 with #bands= 20 23) Finished k-point number 47 1 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 30) Finished k-point number 61 1 with #bands= 20 30) Finished k-point number 62 2 with #bands= 22 28) Finished k-point number 57 1 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.958434461554223 0.957123589994507 21) Finished k-point number 43 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 26 3) Finished k-point number 7 1 with #bands= 22 2) Finished k-point number 5 1 with #bands= 24 2) Finished k-point number 6 2 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 20) Finished k-point number 41 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 19) Finished k-point number 39 1 with #bands= 22 30) Finished k-point number 61 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 22 17) Finished k-point number 35 1 with #bands= 24 25) Finished k-point number 51 1 with #bands= 22 5) Finished k-point number 11 1 with #bands= 24 26) Finished k-point number 53 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 28) Finished k-point number 57 1 with #bands= 22 10) Finished k-point number 21 1 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 24 35) Finished k-point number 71 1 with #bands= 22 12) Finished k-point number 25 1 with #bands= 24 29) Finished k-point number 59 1 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 24) Finished k-point number 49 1 with #bands= 24 23) Finished k-point number 47 1 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 31) Finished k-point number 63 1 with #bands= 22 13) Finished k-point number 27 1 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 4) Finished k-point number 9 1 with #bands= 26 22) Finished k-point number 45 1 with #bands= 24 20) Finished k-point number 42 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 22 6) Finished k-point number 14 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 22 15) Finished k-point number 32 2 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 25) Finished k-point number 52 2 with #bands= 22 10) Finished k-point number 22 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 34) Finished k-point number 70 2 with #bands= 22 26) Finished k-point number 54 2 with #bands= 24 7) Finished k-point number 16 2 with #bands= 24 5) Finished k-point number 12 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 23) Finished k-point number 48 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 14) Finished k-point number 30 2 with #bands= 22 29) Finished k-point number 60 2 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 22) Finished k-point number 46 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 10.9440994121876 Density= 11.9747067664216 EF 11.2162132443011 Density= 12.4226688851168 Brent's Method Step XA XB F(XA) F(XB) 0 0.82437654 0.80437654 0.422669 -0.252932E-01 1 0.81437654 0.80437656 0.195766 -0.252932E-01 2 0.80937655 0.80437631 0.861008E-01 -0.252932E-01 3 0.80687643 0.80437644 0.260900E-01 -0.252932E-01 4 0.80564851 0.80437637 0.804571E-03 -0.252932E-01 5 0.80560936 0.80564851 -0.190063E-03 0.804571E-03 6 0.80561684 0.80560936 0.892791E-04 -0.190063E-03 7 0.80561445 0.80560936 0.893304E-05 -0.190063E-03 8 0.80561420 0.80561445 -0.283771E-07 0.893304E-05 9 0.80561420 0.80561420 0.138794E-09 -0.283771E-07 10 0.80561420 0.80561420 -0.340798E-08 0.138794E-09 11 0.80561420 0.80561420 -0.340798E-08 0.138794E-09 Absolute convergence of the X interval. Difference in EF= 0.0168391564 EF set to : 10.9609385685 new EF (no-mixing): 10.9609385685 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 20) Finished k-point 41 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 30) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 57 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 2) Finished k-point 5 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 23) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 29 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 13) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 25) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 35 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 21 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 49 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 42 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 64 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 32 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 2) Finished k-point 6 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 36 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 12 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 30 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 60 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 22 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 7) Finished k-point 16 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 28 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 20 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -86.9333946381940 eV Ratio to renormalize= 1.00000000028433 nargs= 1 argi=dmft2.def 3) Finished k-point number 7 1 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 2) Finished k-point number 5 1 with #bands= 22 2) Finished k-point number 6 2 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 Emin,Emax= 0.3576081270 1.2395919378 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 10.9609385685416 6) Finished k-point number 13 1 with #bands= 22 6) Finished k-point number 14 2 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 9) Finished k-point number 19 1 with #bands= 26 4) Finished k-point number 9 1 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 5) Finished k-point number 11 1 with #bands= 24 5) Finished k-point number 12 2 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 7) Finished k-point number 16 2 with #bands= 24 15) Finished k-point number 31 1 with #bands= 22 10) Finished k-point number 21 1 with #bands= 24 15) Finished k-point number 32 2 with #bands= 22 9) Finished k-point number 20 2 with #bands= 26 19) Finished k-point number 39 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 11) Finished k-point number 23 1 with #bands= 22 16) Finished k-point number 33 1 with #bands= 24 19) Finished k-point number 40 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 22 17) Finished k-point number 35 1 with #bands= 24 11) Finished k-point number 24 2 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 10) Finished k-point number 22 2 with #bands= 22 30) Finished k-point number 61 1 with #bands= 20 17) Finished k-point number 36 2 with #bands= 22 sumw= 1728.00000000000 13) Finished k-point number 27 1 with #bands= 24 12) Finished k-point number 25 1 with #bands= 24 13) Finished k-point number 28 2 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 14) Finished k-point number 29 1 with #bands= 24 14) Finished k-point number 30 2 with #bands= 22 27) Finished k-point number 55 1 with #bands= 24 21) Finished k-point number 43 1 with #bands= 18 27) Finished k-point number 56 2 with #bands= 24 21) Finished k-point number 44 2 with #bands= 26 30) Finished k-point number 62 2 with #bands= 22 29) Finished k-point number 59 1 with #bands= 22 29) Finished k-point number 60 2 with #bands= 24 33) Finished k-point number 67 1 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 31) Finished k-point number 63 1 with #bands= 22 25) Finished k-point number 51 1 with #bands= 22 32) Finished k-point number 66 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 28) Finished k-point number 57 1 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 22) Finished k-point number 45 1 with #bands= 24 28) Finished k-point number 58 2 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 22) Finished k-point number 46 2 with #bands= 24 34) Finished k-point number 69 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 24) Finished k-point number 49 1 with #bands= 24 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 0) Finished k-point number 2 2 with #bands= 26 24) Finished k-point number 50 2 with #bands= 24 26) Finished k-point number 53 1 with #bands= 22 23) Finished k-point number 47 1 with #bands= 22 26) Finished k-point number 54 2 with #bands= 24 23) Finished k-point number 48 2 with #bands= 22 20) Finished k-point number 41 1 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.958084408455777 0.956770396147880 3) Finished k-point number 7 1 with #bands= 22 2) Finished k-point number 5 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 21) Finished k-point number 43 1 with #bands= 18 18) Finished k-point number 37 1 with #bands= 22 11) Finished k-point number 23 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 30) Finished k-point number 61 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 24 25) Finished k-point number 51 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 10) Finished k-point number 21 1 with #bands= 24 5) Finished k-point number 11 1 with #bands= 24 7) Finished k-point number 15 1 with #bands= 24 26) Finished k-point number 53 1 with #bands= 22 16) Finished k-point number 33 1 with #bands= 24 28) Finished k-point number 57 1 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 14) Finished k-point number 29 1 with #bands= 24 23) Finished k-point number 47 1 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 12) Finished k-point number 25 1 with #bands= 24 24) Finished k-point number 49 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 19 1 with #bands= 26 27) Finished k-point number 55 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 24 32) Finished k-point number 65 1 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 20) Finished k-point number 42 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 22 6) Finished k-point number 14 2 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 17) Finished k-point number 36 2 with #bands= 22 5) Finished k-point number 12 2 with #bands= 22 15) Finished k-point number 32 2 with #bands= 22 0) Finished k-point number 2 2 with #bands= 26 3) Finished k-point number 8 2 with #bands= 26 14) Finished k-point number 30 2 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 10) Finished k-point number 22 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 7) Finished k-point number 16 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 22 29) Finished k-point number 59 1 with #bands= 22 29) Finished k-point number 60 2 with #bands= 24 28) Finished k-point number 58 2 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 22) Finished k-point number 46 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 10.9609385685416 Density= 11.9803350899137 EF 11.2330524006552 Density= 12.4275135098565 Brent's Method Step XA XB F(XA) F(XB) 0 0.82561420 0.80561420 0.427514 -0.196649E-01 1 0.81561420 0.80561422 0.192013 -0.196649E-01 2 0.81061421 0.80561445 0.962285E-01 -0.196649E-01 3 0.80811433 0.80561409 0.371495E-01 -0.196649E-01 4 0.80686421 0.80561427 0.626277E-02 -0.196649E-01 5 0.80657907 0.80561427 0.110397E-02 -0.196649E-01 6 0.80652040 0.80657907 -0.195441E-03 0.110397E-02 7 0.80652922 0.80652040 0.978446E-05 -0.195441E-03 8 0.80652880 0.80652040 0.825246E-07 -0.195441E-03 9 0.80652880 0.80652880 -0.644818E-12 0.825246E-07 Absolute convergence of |F(X)|. Difference in EF= 0.0124437928 EF set to : 10.9733823614 new EF (no-mixing): 10.9733823614 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 20) Finished k-point 41 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 30) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 2) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 57 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 29 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 13) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 25) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 21 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 49 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 35 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 42 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 64 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 6 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 32 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 17) Finished k-point 36 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 12 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 14) Finished k-point 30 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 29) Finished k-point 60 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 22 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 7) Finished k-point 16 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 28 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 20 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -86.5190612658638 eV Ratio to renormalize= 1.00000000000038 nargs= 1 argi=dmft2.def 3) Finished k-point number 7 1 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 2) Finished k-point number 5 1 with #bands= 22 2) Finished k-point number 6 2 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 Emin,Emax= 0.3576081270 1.2395919378 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 10.9733823613625 5) Finished k-point number 11 1 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 11) Finished k-point number 23 1 with #bands= 22 10) Finished k-point number 21 1 with #bands= 24 9) Finished k-point number 19 1 with #bands= 26 9) Finished k-point number 20 2 with #bands= 24 8) Finished k-point number 18 2 with #bands= 26 11) Finished k-point number 24 2 with #bands= 22 10) Finished k-point number 22 2 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 6) Finished k-point number 14 2 with #bands= 22 5) Finished k-point number 12 2 with #bands= 22 4) Finished k-point number 9 1 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 13) Finished k-point number 27 1 with #bands= 24 13) Finished k-point number 28 2 with #bands= 24 sumw= 1728.00000000000 7) Finished k-point number 15 1 with #bands= 24 7) Finished k-point number 16 2 with #bands= 24 16) Finished k-point number 33 1 with #bands= 22 19) Finished k-point number 39 1 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 19) Finished k-point number 40 2 with #bands= 20 22) Finished k-point number 45 1 with #bands= 24 12) Finished k-point number 25 1 with #bands= 24 23) Finished k-point number 47 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 20 22) Finished k-point number 46 2 with #bands= 24 23) Finished k-point number 48 2 with #bands= 22 20) Finished k-point number 42 2 with #bands= 20 15) Finished k-point number 31 1 with #bands= 22 14) Finished k-point number 29 1 with #bands= 24 14) Finished k-point number 30 2 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 31) Finished k-point number 63 1 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 22 30) Finished k-point number 61 1 with #bands= 20 30) Finished k-point number 62 2 with #bands= 22 29) Finished k-point number 59 1 with #bands= 22 29) Finished k-point number 60 2 with #bands= 22 28) Finished k-point number 57 1 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 21) Finished k-point number 43 1 with #bands= 18 0) Finished k-point number 2 2 with #bands= 26 21) Finished k-point number 44 2 with #bands= 26 25) Finished k-point number 51 1 with #bands= 22 24) Finished k-point number 49 1 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 26) Finished k-point number 53 1 with #bands= 22 27) Finished k-point number 55 1 with #bands= 24 25) Finished k-point number 52 2 with #bands= 22 26) Finished k-point number 54 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 18) Finished k-point number 37 1 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 17) Finished k-point number 35 1 with #bands= 22 17) Finished k-point number 36 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.952372747350342 0.952251629095996 21) Finished k-point number 43 1 with #bands= 18 3) Finished k-point number 7 1 with #bands= 22 2) Finished k-point number 5 1 with #bands= 22 2) Finished k-point number 6 2 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 17) Finished k-point number 35 1 with #bands= 22 11) Finished k-point number 23 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 16) Finished k-point number 33 1 with #bands= 22 19) Finished k-point number 39 1 with #bands= 22 30) Finished k-point number 61 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 24 5) Finished k-point number 11 1 with #bands= 24 25) Finished k-point number 51 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 26) Finished k-point number 53 1 with #bands= 22 14) Finished k-point number 29 1 with #bands= 24 33) Finished k-point number 67 1 with #bands= 22 28) Finished k-point number 57 1 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 12) Finished k-point number 25 1 with #bands= 24 9) Finished k-point number 19 1 with #bands= 26 23) Finished k-point number 47 1 with #bands= 22 24) Finished k-point number 49 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 29) Finished k-point number 59 1 with #bands= 22 27) Finished k-point number 55 1 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 17) Finished k-point number 36 2 with #bands= 20 22) Finished k-point number 45 1 with #bands= 24 19) Finished k-point number 40 2 with #bands= 20 31) Finished k-point number 63 1 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 20) Finished k-point number 42 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 15) Finished k-point number 32 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 34) Finished k-point number 69 1 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 5) Finished k-point number 12 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 14) Finished k-point number 30 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 22 0) Finished k-point number 2 2 with #bands= 26 23) Finished k-point number 48 2 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 29) Finished k-point number 60 2 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 13) Finished k-point number 28 2 with #bands= 24 7) Finished k-point number 16 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 24) Finished k-point number 50 2 with #bands= 24 9) Finished k-point number 20 2 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 10.9733823613625 Density= 11.8573807018598 EF 11.2454961934761 Density= 12.3370604775388 Brent's Method Step XA XB F(XA) F(XB) 0 0.82652880 0.80652880 0.337060 -0.142619 1 0.81652880 0.80652882 0.845051E-01 -0.142619 2 0.81291955 0.80652882 0.211230E-02 -0.142619 3 0.81282674 0.81291955 -0.457773E-03 0.211230E-02 4 0.81284327 0.81291955 -0.104830E-04 0.211230E-02 5 0.81284366 0.81284327 0.189952E-07 -0.104830E-04 6 0.81284366 0.81284366 -0.299316E-11 0.189952E-07 Absolute convergence of |F(X)|. Difference in EF too large to mix 8.591799178707461E-002 cutoff= 2.9999999E-02 Difference in EF= 0.0859179918 EF set to : 11.0593003531 new EF (no-mixing): 11.0593003531 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 20) Finished k-point 41 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 30) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 2) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 33 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 57 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 21 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 29 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 49 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 42 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 17) Finished k-point 36 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 2) Finished k-point 6 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 64 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 6) Finished k-point 14 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 32 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 29) Finished k-point 60 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 14) Finished k-point 30 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 22 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 12 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 28 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 20 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -81.7717780101606 eV Ratio to renormalize= 1.00000000000059 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 26 7) Finished k-point number 15 1 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 5) Finished k-point number 11 1 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 7) Finished k-point number 16 2 with #bands= 24 5) Finished k-point number 12 2 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 15) Finished k-point number 32 2 with #bands= 22 6) Finished k-point number 14 2 with #bands= 22 19) Finished k-point number 39 1 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 18) Finished k-point number 37 1 with #bands= 22 23) Finished k-point number 47 1 with #bands= 22 Emin,Emax= 0.3576081270 1.2395919378 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 11.0593003531496 13) Finished k-point number 27 1 with #bands= 24 13) Finished k-point number 28 2 with #bands= 24 2) Finished k-point number 5 1 with #bands= 22 2) Finished k-point number 6 2 with #bands= 22 12) Finished k-point number 25 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 14) Finished k-point number 30 2 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 22) Finished k-point number 45 1 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 21) Finished k-point number 43 1 with #bands= 18 21) Finished k-point number 44 2 with #bands= 26 20) Finished k-point number 41 1 with #bands= 20 3) Finished k-point number 7 1 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 20) Finished k-point number 42 2 with #bands= 20 30) Finished k-point number 61 1 with #bands= 20 sumw= 1728.00000000000 30) Finished k-point number 62 2 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 28) Finished k-point number 57 1 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 22 29) Finished k-point number 59 1 with #bands= 22 29) Finished k-point number 60 2 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 11) Finished k-point number 23 1 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 10) Finished k-point number 21 1 with #bands= 24 10) Finished k-point number 22 2 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 9) Finished k-point number 20 2 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 18) Finished k-point number 38 2 with #bands= 22 24) Finished k-point number 49 1 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 17) Finished k-point number 35 1 with #bands= 24 17) Finished k-point number 36 2 with #bands= 20 16) Finished k-point number 33 1 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 26) Finished k-point number 53 1 with #bands= 22 25) Finished k-point number 51 1 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 26) Finished k-point number 54 2 with #bands= 24 33) Finished k-point number 67 1 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 27) Finished k-point number 55 1 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 27) Finished k-point number 56 2 with #bands= 24 32) Finished k-point number 65 1 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.953183596677203 0.953040300009139 21) Finished k-point number 43 1 with #bands= 18 3) Finished k-point number 7 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 2) Finished k-point number 5 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 22 11) Finished k-point number 23 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 30) Finished k-point number 61 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 22 19) Finished k-point number 39 1 with #bands= 22 5) Finished k-point number 11 1 with #bands= 24 7) Finished k-point number 15 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 24 25) Finished k-point number 51 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 28) Finished k-point number 57 1 with #bands= 22 26) Finished k-point number 53 1 with #bands= 22 12) Finished k-point number 25 1 with #bands= 24 23) Finished k-point number 47 1 with #bands= 22 13) Finished k-point number 27 1 with #bands= 24 31) Finished k-point number 63 1 with #bands= 22 4) Finished k-point number 9 1 with #bands= 26 33) Finished k-point number 67 1 with #bands= 22 29) Finished k-point number 59 1 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 22) Finished k-point number 45 1 with #bands= 24 20) Finished k-point number 42 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 22 6) Finished k-point number 14 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 5) Finished k-point number 12 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 11) Finished k-point number 24 2 with #bands= 22 10) Finished k-point number 22 2 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 8) Finished k-point number 17 1 with #bands= 26 34) Finished k-point number 69 1 with #bands= 22 24) Finished k-point number 49 1 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 32) Finished k-point number 65 1 with #bands= 24 19) Finished k-point number 40 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 26) Finished k-point number 54 2 with #bands= 24 7) Finished k-point number 16 2 with #bands= 24 15) Finished k-point number 32 2 with #bands= 22 14) Finished k-point number 30 2 with #bands= 22 13) Finished k-point number 28 2 with #bands= 24 28) Finished k-point number 58 2 with #bands= 22 29) Finished k-point number 60 2 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 9) Finished k-point number 20 2 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 22) Finished k-point number 46 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 11.0593003531496 Density= 11.9609893480679 EF 11.3314141852632 Density= 12.4616707678354 Brent's Method Step XA XB F(XA) F(XB) 0 0.83284366 0.81284366 0.461671 -0.390107E-01 1 0.82284366 0.81284367 0.193578 -0.390107E-01 2 0.81784367 0.81284343 0.709553E-01 -0.390107E-01 3 0.81534355 0.81284355 0.157721E-01 -0.390107E-01 4 0.81462564 0.81534355 -0.494142E-02 0.157721E-01 5 0.81479690 0.81462564 0.430185E-03 -0.494142E-02 6 0.81478319 0.81462564 0.115020E-04 -0.494142E-02 7 0.81478281 0.81462564 0.100910E-07 -0.494142E-02 8 0.81478281 0.81462564 0.262901E-12 -0.494142E-02 Absolute convergence of |F(X)|. Difference in EF= 0.0263835731 EF set to : 11.0856839263 new EF (no-mixing): 11.0856839263 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 20) Finished k-point 41 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 30) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 33 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 57 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 23) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 29 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 22) Finished k-point 45 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 19) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 35 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 21 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 49 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 42 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 64 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 6 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 36 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 32 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 29) Finished k-point 60 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 14) Finished k-point 30 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 12 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 22 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 28 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 20 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -82.6121594864125 eV Ratio to renormalize= 1.00000000000034 nargs= 1 argi=dmft2.def Emin,Emax= 0.3576081270 1.2395919378 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 11.0856839262620 1) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 3) Finished k-point number 7 1 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 10) Finished k-point number 21 1 with #bands= 24 10) Finished k-point number 22 2 with #bands= 22 sumw= 1728.00000000000 4) Finished k-point number 9 1 with #bands= 26 13) Finished k-point number 27 1 with #bands= 24 2) Finished k-point number 5 1 with #bands= 22 4) Finished k-point number 10 2 with #bands= 26 2) Finished k-point number 6 2 with #bands= 22 19) Finished k-point number 39 1 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 11) Finished k-point number 23 1 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 7) Finished k-point number 16 2 with #bands= 24 8) Finished k-point number 18 2 with #bands= 26 5) Finished k-point number 11 1 with #bands= 24 25) Finished k-point number 51 1 with #bands= 22 27) Finished k-point number 55 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 24 14) Finished k-point number 30 2 with #bands= 22 13) Finished k-point number 28 2 with #bands= 24 5) Finished k-point number 12 2 with #bands= 22 27) Finished k-point number 56 2 with #bands= 24 12) Finished k-point number 25 1 with #bands= 24 25) Finished k-point number 52 2 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 16) Finished k-point number 33 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 0) Finished k-point number 2 2 with #bands= 26 15) Finished k-point number 32 2 with #bands= 22 24) Finished k-point number 49 1 with #bands= 24 28) Finished k-point number 57 1 with #bands= 22 24) Finished k-point number 50 2 with #bands= 24 29) Finished k-point number 59 1 with #bands= 22 29) Finished k-point number 60 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 26) Finished k-point number 53 1 with #bands= 22 26) Finished k-point number 54 2 with #bands= 24 9) Finished k-point number 19 1 with #bands= 26 9) Finished k-point number 20 2 with #bands= 24 18) Finished k-point number 37 1 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 17) Finished k-point number 35 1 with #bands= 22 17) Finished k-point number 36 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 24 33) Finished k-point number 67 1 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 20) Finished k-point number 41 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 18 21) Finished k-point number 44 2 with #bands= 26 22) Finished k-point number 45 1 with #bands= 24 23) Finished k-point number 47 1 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 20) Finished k-point number 42 2 with #bands= 20 35) Finished k-point number 71 1 with #bands= 22 22) Finished k-point number 46 2 with #bands= 24 31) Finished k-point number 63 1 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 32) Finished k-point number 66 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 30) Finished k-point number 61 1 with #bands= 20 31) Finished k-point number 64 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.952488529277298 0.952390038002923 3) Finished k-point number 7 1 with #bands= 22 21) Finished k-point number 43 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 26 2) Finished k-point number 5 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 22 17) Finished k-point number 35 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 11) Finished k-point number 23 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 30) Finished k-point number 61 1 with #bands= 20 16) Finished k-point number 33 1 with #bands= 22 19) Finished k-point number 39 1 with #bands= 22 5) Finished k-point number 11 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 24 7) Finished k-point number 15 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 24 25) Finished k-point number 51 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 28) Finished k-point number 57 1 with #bands= 22 23) Finished k-point number 47 1 with #bands= 22 26) Finished k-point number 53 1 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 4) Finished k-point number 9 1 with #bands= 26 24) Finished k-point number 49 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 27) Finished k-point number 55 1 with #bands= 24 32) Finished k-point number 65 1 with #bands= 24 20) Finished k-point number 42 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 5) Finished k-point number 12 2 with #bands= 22 15) Finished k-point number 32 2 with #bands= 22 14) Finished k-point number 30 2 with #bands= 22 13) Finished k-point number 27 1 with #bands= 24 12) Finished k-point number 25 1 with #bands= 24 29) Finished k-point number 59 1 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 23) Finished k-point number 48 2 with #bands= 22 29) Finished k-point number 60 2 with #bands= 22 7) Finished k-point number 16 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 11) Finished k-point number 24 2 with #bands= 22 10) Finished k-point number 22 2 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 25) Finished k-point number 52 2 with #bands= 22 26) Finished k-point number 54 2 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 32) Finished k-point number 66 2 with #bands= 22 24) Finished k-point number 50 2 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 9) Finished k-point number 20 2 with #bands= 24 8) Finished k-point number 18 2 with #bands= 26 27) Finished k-point number 56 2 with #bands= 24 EF 11.0856839262620 Density= 11.9628196910977 EF 11.3577977583755 Density= 12.4744066004366 Brent's Method Step XA XB F(XA) F(XB) 0 0.83478281 0.81478281 0.474407 -0.371803E-01 1 0.82478281 0.81478283 0.199012 -0.371803E-01 2 0.81978282 0.81478306 0.869648E-01 -0.371803E-01 3 0.81728294 0.81478271 0.376316E-01 -0.371803E-01 4 0.81603282 0.81478288 0.168308E-02 -0.371803E-01 5 0.81597651 0.81478288 0.106075E-02 -0.371803E-01 6 0.81588325 0.81597651 -0.862095E-04 0.106075E-02 7 0.81589026 0.81588325 0.968179E-05 -0.862095E-04 8 0.81588955 0.81588325 0.926180E-07 -0.862095E-04 9 0.81588955 0.81588955 -0.328626E-12 0.926180E-07 Absolute convergence of |F(X)|. Difference in EF= 0.0150578645 EF set to : 11.1007417907 new EF (no-mixing): 11.1007417907 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 20) Finished k-point 41 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 30) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 57 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 23) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 29 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 22) Finished k-point 45 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 33 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 21 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 49 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 42 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 17) Finished k-point 36 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 64 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 6 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 32 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 29) Finished k-point 60 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 14) Finished k-point 30 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 12 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 22 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 32) Finished k-point 66 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 7) Finished k-point 16 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 28 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 20 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -82.0099295646265 eV Ratio to renormalize= 1.00000000000040 nargs= 1 argi=dmft2.def Emin,Emax= 0.3576081270 1.2395919378 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 11.1007417907136 sumw= 1728.00000000000 7) Finished k-point number 15 1 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 7) Finished k-point number 16 2 with #bands= 24 1) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 14) Finished k-point number 29 1 with #bands= 24 6) Finished k-point number 13 1 with #bands= 22 14) Finished k-point number 30 2 with #bands= 22 6) Finished k-point number 14 2 with #bands= 22 3) Finished k-point number 7 1 with #bands= 22 2) Finished k-point number 5 1 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 5) Finished k-point number 11 1 with #bands= 24 2) Finished k-point number 6 2 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 5) Finished k-point number 12 2 with #bands= 22 12) Finished k-point number 25 1 with #bands= 24 16) Finished k-point number 33 1 with #bands= 22 15) Finished k-point number 32 2 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 13) Finished k-point number 27 1 with #bands= 24 13) Finished k-point number 28 2 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 19) Finished k-point number 39 1 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 18) Finished k-point number 37 1 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 17) Finished k-point number 35 1 with #bands= 24 17) Finished k-point number 36 2 with #bands= 20 28) Finished k-point number 57 1 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 28) Finished k-point number 58 2 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 32) Finished k-point number 66 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 24) Finished k-point number 49 1 with #bands= 24 20) Finished k-point number 41 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 24 31) Finished k-point number 64 2 with #bands= 20 29) Finished k-point number 59 1 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 24) Finished k-point number 50 2 with #bands= 24 29) Finished k-point number 60 2 with #bands= 22 27) Finished k-point number 56 2 with #bands= 24 30) Finished k-point number 61 1 with #bands= 20 33) Finished k-point number 68 2 with #bands= 22 23) Finished k-point number 47 1 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 22) Finished k-point number 45 1 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 21) Finished k-point number 43 1 with #bands= 18 21) Finished k-point number 44 2 with #bands= 26 20) Finished k-point number 42 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 9) Finished k-point number 20 2 with #bands= 24 25) Finished k-point number 51 1 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 26) Finished k-point number 53 1 with #bands= 22 26) Finished k-point number 54 2 with #bands= 24 11) Finished k-point number 23 1 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 10) Finished k-point number 21 1 with #bands= 24 10) Finished k-point number 22 2 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.953220728702454 0.953026058960445 3) Finished k-point number 7 1 with #bands= 22 21) Finished k-point number 43 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 26 2) Finished k-point number 5 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 22 11) Finished k-point number 23 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 16) Finished k-point number 33 1 with #bands= 22 19) Finished k-point number 39 1 with #bands= 22 5) Finished k-point number 11 1 with #bands= 24 7) Finished k-point number 15 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 24 23) Finished k-point number 47 1 with #bands= 22 25) Finished k-point number 51 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 26) Finished k-point number 53 1 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 4) Finished k-point number 9 1 with #bands= 26 33) Finished k-point number 67 1 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 24) Finished k-point number 49 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 27) Finished k-point number 55 1 with #bands= 24 32) Finished k-point number 65 1 with #bands= 24 20) Finished k-point number 42 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 22 6) Finished k-point number 14 2 with #bands= 22 14) Finished k-point number 29 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 24 12) Finished k-point number 25 1 with #bands= 24 30) Finished k-point number 61 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 29) Finished k-point number 59 1 with #bands= 22 17) Finished k-point number 36 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 15) Finished k-point number 32 2 with #bands= 22 14) Finished k-point number 30 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 22 5) Finished k-point number 12 2 with #bands= 22 10) Finished k-point number 22 2 with #bands= 22 0) Finished k-point number 2 2 with #bands= 26 23) Finished k-point number 48 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 25) Finished k-point number 52 2 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 29) Finished k-point number 60 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 7) Finished k-point number 16 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 24) Finished k-point number 50 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 9) Finished k-point number 20 2 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 11.1007417907136 Density= 12.0005426312198 EF 10.8286279586000 Density= 11.5786810237070 Brent's Method Step XA XB F(XA) F(XB) 0 0.81588955 0.79588955 0.542631E-03 -0.421319 1 0.81586382 0.79588955 0.839241E-03 -0.421319 2 0.80587668 0.81586382 -0.187696 0.839241E-03 3 0.81087025 0.81586404 -0.882763E-01 0.839241E-03 4 0.81336714 0.81586369 -0.361754E-01 0.839241E-03 5 0.81461542 0.81586386 -0.175323E-01 0.839240E-03 6 0.81523964 0.81586378 -0.910855E-02 0.839240E-03 7 0.81555171 0.81586382 -0.506302E-02 0.839240E-03 8 0.81570776 0.81586404 -0.280988E-02 0.839240E-03 9 0.81578590 0.81586369 -0.170382E-02 0.839241E-03 10 0.81582480 0.81586363 -0.115878E-02 0.839240E-03 11 0.81584421 0.81586390 -0.814910E-03 0.839240E-03 12 0.81585405 0.81584421 0.468147E-04 -0.814910E-03 13 0.81585352 0.81585405 -0.406225E-04 0.468147E-04 14 0.81585377 0.81585405 -0.483721E-06 0.468147E-04 15 0.81585377 0.81585377 0.387740E-09 -0.483721E-06 16 0.81585377 0.81585377 -0.159512E-07 0.387740E-09 17 0.81585377 0.81585377 -0.159512E-07 0.387740E-09 Absolute convergence of the X interval. Difference in EF= -0.0004867528 EF set to : 11.1002550379 new EF (no-mixing): 11.1002550379 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 20) Finished k-point 41 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 30) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 33 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 57 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 5) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 29 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 22) Finished k-point 45 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 19) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 35 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 21 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 49 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 42 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 64 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 6 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 36 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 11) Finished k-point 24 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 32 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 29) Finished k-point 60 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 14) Finished k-point 30 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 12 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 22 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 28 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 20 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -82.6180616285992 eV Ratio to renormalize= 1.00000000132964 nargs= 1 argi=dmft2.def 4) Finished k-point number 9 1 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 3) Finished k-point number 7 1 with #bands= 22 Emin,Emax= 0.3576081270 1.2395919378 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 11.1002550379332 5) Finished k-point number 11 1 with #bands= 24 7) Finished k-point number 15 1 with #bands= 24 6) Finished k-point number 14 2 with #bands= 22 7) Finished k-point number 16 2 with #bands= 24 5) Finished k-point number 12 2 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 2) Finished k-point number 5 1 with #bands= 22 2) Finished k-point number 6 2 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 14) Finished k-point number 29 1 with #bands= 24 14) Finished k-point number 30 2 with #bands= 22 15) Finished k-point number 32 2 with #bands= 22 10) Finished k-point number 21 1 with #bands= 24 10) Finished k-point number 22 2 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 11) Finished k-point number 23 1 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 17) Finished k-point number 35 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 24 sumw= 1728.00000000000 18) Finished k-point number 38 2 with #bands= 22 17) Finished k-point number 36 2 with #bands= 22 13) Finished k-point number 28 2 with #bands= 24 12) Finished k-point number 25 1 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 21) Finished k-point number 43 1 with #bands= 18 1) Finished k-point number 3 1 with #bands= 26 21) Finished k-point number 44 2 with #bands= 26 20) Finished k-point number 41 1 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 22) Finished k-point number 45 1 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 16) Finished k-point number 33 1 with #bands= 24 23) Finished k-point number 47 1 with #bands= 22 22) Finished k-point number 46 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 23) Finished k-point number 48 2 with #bands= 22 19) Finished k-point number 39 1 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 24) Finished k-point number 49 1 with #bands= 24 25) Finished k-point number 51 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 24) Finished k-point number 50 2 with #bands= 24 0) Finished k-point number 2 2 with #bands= 26 9) Finished k-point number 19 1 with #bands= 26 9) Finished k-point number 20 2 with #bands= 24 25) Finished k-point number 52 2 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 33) Finished k-point number 67 1 with #bands= 22 28) Finished k-point number 57 1 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 32) Finished k-point number 66 2 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 26) Finished k-point number 53 1 with #bands= 22 30) Finished k-point number 61 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 30) Finished k-point number 62 2 with #bands= 22 29) Finished k-point number 59 1 with #bands= 22 27) Finished k-point number 56 2 with #bands= 24 29) Finished k-point number 60 2 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.954663867492564 0.954617170736552 21) Finished k-point number 43 1 with #bands= 18 3) Finished k-point number 7 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 2) Finished k-point number 5 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 22 11) Finished k-point number 23 1 with #bands= 22 30) Finished k-point number 61 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 19) Finished k-point number 39 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 5) Finished k-point number 11 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 24 23) Finished k-point number 47 1 with #bands= 22 28) Finished k-point number 57 1 with #bands= 22 26) Finished k-point number 53 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 25) Finished k-point number 51 1 with #bands= 22 12) Finished k-point number 25 1 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 31) Finished k-point number 63 1 with #bands= 22 29) Finished k-point number 59 1 with #bands= 22 13) Finished k-point number 27 1 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 33) Finished k-point number 67 1 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 34) Finished k-point number 69 1 with #bands= 22 24) Finished k-point number 49 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 27) Finished k-point number 55 1 with #bands= 24 32) Finished k-point number 65 1 with #bands= 24 20) Finished k-point number 42 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 22 17) Finished k-point number 36 2 with #bands= 22 15) Finished k-point number 32 2 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 28) Finished k-point number 58 2 with #bands= 22 0) Finished k-point number 2 2 with #bands= 26 14) Finished k-point number 30 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 5) Finished k-point number 12 2 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 10) Finished k-point number 22 2 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 29) Finished k-point number 60 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 7) Finished k-point number 16 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 24) Finished k-point number 50 2 with #bands= 24 9) Finished k-point number 20 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 11.1002550379332 Density= 12.0530528488260 EF 10.8281412058196 Density= 11.6058078398364 Brent's Method Step XA XB F(XA) F(XB) 0 0.81585377 0.79585377 0.530528E-01 -0.394192 1 0.81348134 0.79585377 0.698345E-02 -0.394192 2 0.81312798 0.81348134 -0.168504E-02 0.698345E-02 3 0.81319667 0.81348134 -0.215377E-03 0.698345E-02 4 0.81320643 0.81319667 0.478115E-05 -0.215377E-03 5 0.81320622 0.81320643 -0.295178E-07 0.478115E-05 6 0.81320622 0.81320643 -0.368416E-11 0.478115E-05 Absolute convergence of |F(X)|. Difference in EF too large to mix -3.602175257493864E-002 cutoff= 2.9999999E-02 Difference in EF= -0.0360217526 EF set to : 11.0642332854 new EF (no-mixing): 11.0642332854 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 20) Finished k-point 41 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 30) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 57 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 23) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 5) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 29 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 22) Finished k-point 45 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 25) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 21 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 49 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 35 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 20) Finished k-point 42 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 64 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 6 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 32 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 29) Finished k-point 60 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 36 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 30 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 10) Finished k-point 22 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 12 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 7) Finished k-point 16 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 28 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 20 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -83.8509488864948 eV Ratio to renormalize= 1.00000000000068 nargs= 1 argi=dmft2.def Emin,Emax= 0.3576081270 1.2395919378 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 11.0642332853582 2) Finished k-point number 5 1 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 3) Finished k-point number 7 1 with #bands= 22 8) Finished k-point number 18 2 with #bands= 26 2) Finished k-point number 6 2 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 10) Finished k-point number 21 1 with #bands= 24 10) Finished k-point number 22 2 with #bands= 22 sumw= 1728.00000000000 1) Finished k-point number 3 1 with #bands= 26 9) Finished k-point number 19 1 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 9) Finished k-point number 20 2 with #bands= 24 15) Finished k-point number 31 1 with #bands= 22 15) Finished k-point number 32 2 with #bands= 22 14) Finished k-point number 29 1 with #bands= 24 14) Finished k-point number 30 2 with #bands= 22 12) Finished k-point number 25 1 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 13) Finished k-point number 27 1 with #bands= 24 13) Finished k-point number 28 2 with #bands= 24 20) Finished k-point number 41 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 24 21) Finished k-point number 43 1 with #bands= 18 22) Finished k-point number 46 2 with #bands= 24 18) Finished k-point number 37 1 with #bands= 22 19) Finished k-point number 39 1 with #bands= 22 17) Finished k-point number 35 1 with #bands= 24 18) Finished k-point number 38 2 with #bands= 22 20) Finished k-point number 42 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 22 16) Finished k-point number 33 1 with #bands= 24 21) Finished k-point number 44 2 with #bands= 26 16) Finished k-point number 34 2 with #bands= 24 32) Finished k-point number 65 1 with #bands= 24 23) Finished k-point number 47 1 with #bands= 22 32) Finished k-point number 66 2 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 28) Finished k-point number 57 1 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 28) Finished k-point number 58 2 with #bands= 22 0) Finished k-point number 2 2 with #bands= 26 5) Finished k-point number 11 1 with #bands= 24 31) Finished k-point number 63 1 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 5) Finished k-point number 12 2 with #bands= 22 27) Finished k-point number 55 1 with #bands= 24 31) Finished k-point number 64 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 22 26) Finished k-point number 53 1 with #bands= 22 27) Finished k-point number 56 2 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 35) Finished k-point number 71 1 with #bands= 22 26) Finished k-point number 54 2 with #bands= 24 11) Finished k-point number 23 1 with #bands= 22 4) Finished k-point number 10 2 with #bands= 26 35) Finished k-point number 72 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 30) Finished k-point number 61 1 with #bands= 20 30) Finished k-point number 62 2 with #bands= 22 29) Finished k-point number 59 1 with #bands= 22 24) Finished k-point number 49 1 with #bands= 24 29) Finished k-point number 60 2 with #bands= 22 24) Finished k-point number 50 2 with #bands= 24 25) Finished k-point number 51 1 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 7) Finished k-point number 16 2 with #bands= 24 6) Finished k-point number 14 2 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.954745658522246 0.954650009864197 3) Finished k-point number 7 1 with #bands= 22 21) Finished k-point number 43 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 26 2) Finished k-point number 5 1 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 19) Finished k-point number 39 1 with #bands= 22 11) Finished k-point number 23 1 with #bands= 22 17) Finished k-point number 35 1 with #bands= 24 7) Finished k-point number 15 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 24 25) Finished k-point number 51 1 with #bands= 22 28) Finished k-point number 57 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 23) Finished k-point number 47 1 with #bands= 22 5) Finished k-point number 11 1 with #bands= 24 26) Finished k-point number 53 1 with #bands= 22 13) Finished k-point number 27 1 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 29) Finished k-point number 59 1 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 12) Finished k-point number 25 1 with #bands= 24 33) Finished k-point number 67 1 with #bands= 22 4) Finished k-point number 9 1 with #bands= 26 34) Finished k-point number 69 1 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 31) Finished k-point number 63 1 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 24) Finished k-point number 49 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 32) Finished k-point number 65 1 with #bands= 24 20) Finished k-point number 42 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 17) Finished k-point number 36 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 0) Finished k-point number 2 2 with #bands= 26 28) Finished k-point number 58 2 with #bands= 22 14) Finished k-point number 30 2 with #bands= 22 10) Finished k-point number 22 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 25) Finished k-point number 52 2 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 5) Finished k-point number 12 2 with #bands= 22 29) Finished k-point number 60 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 7) Finished k-point number 16 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 9) Finished k-point number 20 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 22) Finished k-point number 46 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 11.0642332853582 Density= 12.0030165714622 EF 10.7921194532447 Density= 11.5531965648136 Brent's Method Step XA XB F(XA) F(XB) 0 0.81320622 0.79320622 0.301657E-02 -0.446803 1 0.81307210 0.79320622 0.161368E-03 -0.446803 2 0.81306452 0.79320622 0.192180E-04 -0.446803 3 0.81306349 0.79320622 0.194590E-06 -0.446803 4 0.81306348 0.79320622 0.239442E-09 -0.446803 5 0.81306348 0.81306348 -0.161554E-08 0.239442E-09 6 0.81306348 0.81306348 -0.161554E-08 0.239442E-09 Absolute convergence of the X interval. Difference in EF= -0.0019420220 EF set to : 11.0622912634 new EF (no-mixing): 11.0622912634 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 20) Finished k-point 41 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 30) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 28) Finished k-point 57 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 21 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 29 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 49 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 22) Finished k-point 45 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 35 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 42 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 64 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 6 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 32 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 29) Finished k-point 60 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 36 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 14) Finished k-point 30 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 12 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 22 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 28 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 20 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -83.8618548300922 eV Ratio to renormalize= 1.00000000013500 nargs= 1 argi=dmft2.def Emin,Emax= 0.3576081270 1.2395919378 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 11.0622912633907 7) Finished k-point number 15 1 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 7) Finished k-point number 16 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 sumw= 1728.00000000000 5) Finished k-point number 11 1 with #bands= 24 2) Finished k-point number 5 1 with #bands= 22 19) Finished k-point number 39 1 with #bands= 22 5) Finished k-point number 12 2 with #bands= 22 17) Finished k-point number 35 1 with #bands= 24 19) Finished k-point number 40 2 with #bands= 20 3) Finished k-point number 7 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 2) Finished k-point number 6 2 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 17) Finished k-point number 36 2 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 13) Finished k-point number 27 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 24 6) Finished k-point number 14 2 with #bands= 22 13) Finished k-point number 28 2 with #bands= 24 14) Finished k-point number 30 2 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 8) Finished k-point number 17 1 with #bands= 26 16) Finished k-point number 33 1 with #bands= 24 24) Finished k-point number 49 1 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 18) Finished k-point number 37 1 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 10) Finished k-point number 21 1 with #bands= 24 18) Finished k-point number 38 2 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 12) Finished k-point number 25 1 with #bands= 24 26) Finished k-point number 53 1 with #bands= 22 9) Finished k-point number 20 2 with #bands= 24 11) Finished k-point number 23 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 12) Finished k-point number 26 2 with #bands= 24 0) Finished k-point number 2 2 with #bands= 26 26) Finished k-point number 54 2 with #bands= 24 15) Finished k-point number 32 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 10) Finished k-point number 22 2 with #bands= 22 30) Finished k-point number 61 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 22 23) Finished k-point number 47 1 with #bands= 22 22) Finished k-point number 45 1 with #bands= 24 23) Finished k-point number 48 2 with #bands= 22 22) Finished k-point number 46 2 with #bands= 24 30) Finished k-point number 62 2 with #bands= 22 29) Finished k-point number 60 2 with #bands= 22 20) Finished k-point number 41 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 18 21) Finished k-point number 44 2 with #bands= 26 20) Finished k-point number 42 2 with #bands= 20 28) Finished k-point number 57 1 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 25) Finished k-point number 51 1 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 27) Finished k-point number 55 1 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 34) Finished k-point number 69 1 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 32) Finished k-point number 66 2 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.954795001309200 0.954761626227372 3) Finished k-point number 7 1 with #bands= 22 21) Finished k-point number 43 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 26 2) Finished k-point number 5 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 22 11) Finished k-point number 23 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 30) Finished k-point number 61 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 22 5) Finished k-point number 11 1 with #bands= 24 19) Finished k-point number 39 1 with #bands= 22 17) Finished k-point number 35 1 with #bands= 24 7) Finished k-point number 15 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 24 25) Finished k-point number 51 1 with #bands= 22 23) Finished k-point number 47 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 28) Finished k-point number 57 1 with #bands= 22 12) Finished k-point number 25 1 with #bands= 24 26) Finished k-point number 53 1 with #bands= 22 29) Finished k-point number 59 1 with #bands= 22 16) Finished k-point number 33 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 24 31) Finished k-point number 63 1 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 4) Finished k-point number 9 1 with #bands= 26 8) Finished k-point number 17 1 with #bands= 26 22) Finished k-point number 45 1 with #bands= 24 24) Finished k-point number 49 1 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 32) Finished k-point number 65 1 with #bands= 24 20) Finished k-point number 42 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 15) Finished k-point number 32 2 with #bands= 22 17) Finished k-point number 36 2 with #bands= 22 14) Finished k-point number 30 2 with #bands= 22 5) Finished k-point number 12 2 with #bands= 22 0) Finished k-point number 2 2 with #bands= 26 21) Finished k-point number 44 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 29) Finished k-point number 60 2 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 7) Finished k-point number 16 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 9) Finished k-point number 20 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 22) Finished k-point number 46 2 with #bands= 24 8) Finished k-point number 18 2 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 11.0622912633907 Density= 12.0035248012592 EF 10.7901774312772 Density= 11.5526418770101 Brent's Method Step XA XB F(XA) F(XB) 0 0.81306348 0.79306348 0.352480E-02 -0.447358 1 0.81290713 0.79306348 0.795689E-03 -0.447358 2 0.81286163 0.79306348 0.144829E-03 -0.447358 3 0.81285151 0.79306348 0.395643E-05 -0.447358 4 0.81285123 0.79306348 0.155551E-07 -0.447358 5 0.81285122 0.79306348 0.200018E-11 -0.447358 Absolute convergence of |F(X)|. Difference in EF= -0.0028879375 EF set to : 11.0594033259 new EF (no-mixing): 11.0594033259 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 20) Finished k-point 41 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 30) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 57 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 23) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 29 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 22) Finished k-point 45 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 26) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 35 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 21 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 49 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 42 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 64 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 6 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 32 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 29) Finished k-point 60 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 36 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 14) Finished k-point 30 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 12 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 22 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 28 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 20 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -83.9551894466946 eV Ratio to renormalize= 1.00000000000021 nargs= 1 argi=dmft2.def Emin,Emax= 0.3576081270 1.2395919378 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 11.0594033258683 sumw= 1728.00000000000 2) Finished k-point number 5 1 with #bands= 22 3) Finished k-point number 7 1 with #bands= 22 2) Finished k-point number 6 2 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 8 2 with #bands= 26 7) Finished k-point number 15 1 with #bands= 24 5) Finished k-point number 11 1 with #bands= 24 21) Finished k-point number 43 1 with #bands= 18 20) Finished k-point number 41 1 with #bands= 20 1) Finished k-point number 4 2 with #bands= 26 7) Finished k-point number 16 2 with #bands= 24 5) Finished k-point number 12 2 with #bands= 22 17) Finished k-point number 35 1 with #bands= 24 17) Finished k-point number 36 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 15) Finished k-point number 31 1 with #bands= 22 20) Finished k-point number 42 2 with #bands= 20 14) Finished k-point number 29 1 with #bands= 24 18) Finished k-point number 37 1 with #bands= 22 14) Finished k-point number 30 2 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 15) Finished k-point number 32 2 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 13) Finished k-point number 27 1 with #bands= 24 8) Finished k-point number 18 2 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 11) Finished k-point number 23 1 with #bands= 22 12) Finished k-point number 25 1 with #bands= 24 13) Finished k-point number 28 2 with #bands= 24 6) Finished k-point number 14 2 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 12) Finished k-point number 26 2 with #bands= 24 11) Finished k-point number 24 2 with #bands= 22 4) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 20 2 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 29) Finished k-point number 59 1 with #bands= 22 10) Finished k-point number 21 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 16) Finished k-point number 34 2 with #bands= 24 29) Finished k-point number 60 2 with #bands= 22 0) Finished k-point number 2 2 with #bands= 26 19) Finished k-point number 39 1 with #bands= 22 10) Finished k-point number 22 2 with #bands= 22 25) Finished k-point number 51 1 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 31) Finished k-point number 64 2 with #bands= 20 25) Finished k-point number 52 2 with #bands= 22 22) Finished k-point number 45 1 with #bands= 24 23) Finished k-point number 47 1 with #bands= 22 22) Finished k-point number 46 2 with #bands= 24 23) Finished k-point number 48 2 with #bands= 22 27) Finished k-point number 55 1 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 30) Finished k-point number 61 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 24) Finished k-point number 49 1 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 24) Finished k-point number 50 2 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 26) Finished k-point number 53 1 with #bands= 22 26) Finished k-point number 54 2 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.955271963101481 0.955191634218065 21) Finished k-point number 43 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 26 3) Finished k-point number 7 1 with #bands= 22 2) Finished k-point number 5 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 22 11) Finished k-point number 23 1 with #bands= 22 30) Finished k-point number 61 1 with #bands= 20 18) Finished k-point number 37 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 19) Finished k-point number 39 1 with #bands= 22 5) Finished k-point number 11 1 with #bands= 24 7) Finished k-point number 15 1 with #bands= 24 1) Finished k-point number 3 1 with #bands= 26 23) Finished k-point number 47 1 with #bands= 22 10) Finished k-point number 21 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 24 26) Finished k-point number 53 1 with #bands= 22 25) Finished k-point number 51 1 with #bands= 22 14) Finished k-point number 29 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 24 12) Finished k-point number 25 1 with #bands= 24 29) Finished k-point number 59 1 with #bands= 22 4) Finished k-point number 9 1 with #bands= 26 31) Finished k-point number 63 1 with #bands= 22 28) Finished k-point number 57 1 with #bands= 22 16) Finished k-point number 33 1 with #bands= 24 35) Finished k-point number 71 1 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 34) Finished k-point number 69 1 with #bands= 22 24) Finished k-point number 49 1 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 27) Finished k-point number 55 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 24 32) Finished k-point number 65 1 with #bands= 24 20) Finished k-point number 42 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 22 0) Finished k-point number 2 2 with #bands= 26 14) Finished k-point number 30 2 with #bands= 22 5) Finished k-point number 12 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 22 17) Finished k-point number 36 2 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 29) Finished k-point number 60 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 7) Finished k-point number 16 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 27) Finished k-point number 56 2 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 9) Finished k-point number 20 2 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 11.0594033258683 Density= 12.0166526318480 EF 10.7872894937547 Density= 11.5601697177320 Brent's Method Step XA XB F(XA) F(XB) 0 0.81285122 0.79285122 0.166526E-01 -0.439830 1 0.81212162 0.79285122 0.804981E-02 -0.439830 2 0.81145118 0.81212162 -0.245096E-02 0.804981E-02 3 0.81160767 0.81145118 0.516486E-03 -0.245096E-02 4 0.81158043 0.81160767 -0.129096E-04 0.516486E-03 5 0.81158110 0.81158043 0.153169E-07 -0.129096E-04 6 0.81158110 0.81158043 0.174083E-12 -0.129096E-04 Absolute convergence of |F(X)|. Difference in EF= -0.0172809847 EF set to : 11.0421223412 new EF (no-mixing): 11.0421223412 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 20) Finished k-point 41 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 30) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 57 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 23) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 29 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 5) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 26) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 21 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 49 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 35 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 42 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 64 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 6 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 32 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 29) Finished k-point 60 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 36 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 30 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 12 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 10) Finished k-point 22 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 28 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 20 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -84.4626183433427 eV Ratio to renormalize= 1.00000000000035 nargs= 1 argi=dmft2.def 3) Finished k-point number 7 1 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 1) Finished k-point number 3 1 with #bands= 26 2) Finished k-point number 5 1 with #bands= 22 1) Finished k-point number 4 2 with #bands= 26 2) Finished k-point number 6 2 with #bands= 22 Emin,Emax= 0.3576081270 1.2395919378 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 6) Finished k-point number 13 1 with #bands= 22 5) Finished k-point number 11 1 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 5) Finished k-point number 12 2 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 Found EF.dat and EF is 11.0421223412150 11) Finished k-point number 23 1 with #bands= 22 6) Finished k-point number 14 2 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 7) Finished k-point number 16 2 with #bands= 24 14) Finished k-point number 29 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 24 14) Finished k-point number 30 2 with #bands= 22 13) Finished k-point number 28 2 with #bands= 24 11) Finished k-point number 24 2 with #bands= 22 9) Finished k-point number 20 2 with #bands= 24 19) Finished k-point number 39 1 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 12) Finished k-point number 25 1 with #bands= 24 26) Finished k-point number 53 1 with #bands= 22 25) Finished k-point number 51 1 with #bands= 22 24) Finished k-point number 49 1 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 25) Finished k-point number 52 2 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 10) Finished k-point number 21 1 with #bands= 24 18) Finished k-point number 37 1 with #bands= 22 27) Finished k-point number 56 2 with #bands= 24 8) Finished k-point number 18 2 with #bands= 26 18) Finished k-point number 38 2 with #bands= 22 16) Finished k-point number 33 1 with #bands= 24 10) Finished k-point number 22 2 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 17) Finished k-point number 35 1 with #bands= 24 15) Finished k-point number 31 1 with #bands= 22 22) Finished k-point number 45 1 with #bands= 24 21) Finished k-point number 43 1 with #bands= 18 17) Finished k-point number 36 2 with #bands= 22 22) Finished k-point number 46 2 with #bands= 24 21) Finished k-point number 44 2 with #bands= 26 15) Finished k-point number 32 2 with #bands= 22 20) Finished k-point number 41 1 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 sumw= 1728.00000000000 23) Finished k-point number 47 1 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 29) Finished k-point number 59 1 with #bands= 22 29) Finished k-point number 60 2 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 28) Finished k-point number 57 1 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 30) Finished k-point number 61 1 with #bands= 20 0) Finished k-point number 2 2 with #bands= 26 30) Finished k-point number 62 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.955551079160838 0.955456602672175 21) Finished k-point number 43 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 26 3) Finished k-point number 7 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 30) Finished k-point number 61 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 22 19) Finished k-point number 39 1 with #bands= 22 5) Finished k-point number 11 1 with #bands= 24 7) Finished k-point number 15 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 24 25) Finished k-point number 51 1 with #bands= 22 23) Finished k-point number 47 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 26) Finished k-point number 53 1 with #bands= 22 28) Finished k-point number 57 1 with #bands= 22 16) Finished k-point number 33 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 24 29) Finished k-point number 59 1 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 4) Finished k-point number 9 1 with #bands= 26 22) Finished k-point number 45 1 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 24) Finished k-point number 49 1 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 32) Finished k-point number 65 1 with #bands= 24 20) Finished k-point number 42 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 26 2) Finished k-point number 6 2 with #bands= 22 0) Finished k-point number 2 2 with #bands= 26 6) Finished k-point number 14 2 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 15) Finished k-point number 32 2 with #bands= 22 17) Finished k-point number 36 2 with #bands= 22 14) Finished k-point number 30 2 with #bands= 22 5) Finished k-point number 12 2 with #bands= 22 10) Finished k-point number 22 2 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 23) Finished k-point number 48 2 with #bands= 22 29) Finished k-point number 60 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 7) Finished k-point number 16 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 24) Finished k-point number 50 2 with #bands= 24 9) Finished k-point number 20 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 11.0421223412150 Density= 12.0145046943262 EF 10.7700085091014 Density= 11.5431088344792 Brent's Method Step XA XB F(XA) F(XB) 0 0.81158110 0.79158110 0.145047E-01 -0.456891 1 0.81096570 0.79158110 0.150801E-02 -0.456891 2 0.81089453 0.81096570 -0.664944E-04 0.150801E-02 3 0.81089754 0.81096570 -0.697505E-05 0.150801E-02 4 0.81089789 0.81089754 0.108420E-08 -0.697505E-05 5 0.81089789 0.81089789 -0.906772E-09 0.108420E-08 6 0.81089789 0.81089789 0.108420E-08 -0.906772E-09 7 0.81089789 0.81089789 0.108420E-08 -0.906772E-09 Absolute convergence of the X interval. Difference in EF= -0.0092954969 EF set to : 11.0328268443 new EF (no-mixing): 11.0328268443 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 20) Finished k-point 41 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 30) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 2) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 57 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 23) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 29 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 22) Finished k-point 45 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 25) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 35 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 21 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 49 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 42 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 64 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 6 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 32 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 29) Finished k-point 60 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 36 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 30 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 22 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 12 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 28 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 20 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -84.7837848040093 eV Ratio to renormalize= 0.999999999910030 nargs= 1 argi=dmft2.def Emin,Emax= 0.3576081270 1.2395919378 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 11.0328268442837 sumw= 1728.00000000000 3) Finished k-point number 7 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 2) Finished k-point number 5 1 with #bands= 22 2) Finished k-point number 6 2 with #bands= 22 1) Finished k-point number 4 2 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 3) Finished k-point number 8 2 with #bands= 26 14) Finished k-point number 29 1 with #bands= 24 15) Finished k-point number 31 1 with #bands= 22 14) Finished k-point number 30 2 with #bands= 22 15) Finished k-point number 32 2 with #bands= 22 12) Finished k-point number 25 1 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 10) Finished k-point number 21 1 with #bands= 24 10) Finished k-point number 22 2 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 9) Finished k-point number 20 2 with #bands= 24 11) Finished k-point number 23 1 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 13) Finished k-point number 27 1 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 13) Finished k-point number 28 2 with #bands= 24 19) Finished k-point number 39 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 25) Finished k-point number 51 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 7) Finished k-point number 16 2 with #bands= 24 6) Finished k-point number 13 1 with #bands= 22 6) Finished k-point number 14 2 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 4) Finished k-point number 10 2 with #bands= 26 20) Finished k-point number 41 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 24 23) Finished k-point number 47 1 with #bands= 22 20) Finished k-point number 42 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 22 27) Finished k-point number 56 2 with #bands= 24 26) Finished k-point number 53 1 with #bands= 22 22) Finished k-point number 45 1 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 24) Finished k-point number 49 1 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 32) Finished k-point number 65 1 with #bands= 24 21) Finished k-point number 43 1 with #bands= 18 32) Finished k-point number 66 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 17) Finished k-point number 35 1 with #bands= 24 17) Finished k-point number 36 2 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 16) Finished k-point number 33 1 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 16) Finished k-point number 34 2 with #bands= 24 8) Finished k-point number 18 2 with #bands= 26 5) Finished k-point number 11 1 with #bands= 24 28) Finished k-point number 57 1 with #bands= 22 5) Finished k-point number 12 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 29) Finished k-point number 59 1 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 29) Finished k-point number 60 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 30) Finished k-point number 61 1 with #bands= 20 33) Finished k-point number 68 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.955635712308078 0.955632995257463 3) Finished k-point number 7 1 with #bands= 22 2) Finished k-point number 5 1 with #bands= 22 2) Finished k-point number 6 2 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 21) Finished k-point number 43 1 with #bands= 18 11) Finished k-point number 23 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 19) Finished k-point number 39 1 with #bands= 22 17) Finished k-point number 35 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 24 20) Finished k-point number 41 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 26) Finished k-point number 53 1 with #bands= 22 16) Finished k-point number 33 1 with #bands= 24 30) Finished k-point number 61 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 26 5) Finished k-point number 11 1 with #bands= 24 7) Finished k-point number 15 1 with #bands= 24 33) Finished k-point number 67 1 with #bands= 22 24) Finished k-point number 49 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 23) Finished k-point number 47 1 with #bands= 22 12) Finished k-point number 25 1 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 35) Finished k-point number 71 1 with #bands= 22 28) Finished k-point number 57 1 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 13) Finished k-point number 27 1 with #bands= 24 31) Finished k-point number 63 1 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 19) Finished k-point number 40 2 with #bands= 20 29) Finished k-point number 59 1 with #bands= 22 22) Finished k-point number 45 1 with #bands= 24 6) Finished k-point number 14 2 with #bands= 22 4) Finished k-point number 9 1 with #bands= 26 20) Finished k-point number 42 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 15) Finished k-point number 32 2 with #bands= 22 17) Finished k-point number 36 2 with #bands= 22 14) Finished k-point number 30 2 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 21) Finished k-point number 44 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 22 5) Finished k-point number 12 2 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 0) Finished k-point number 2 2 with #bands= 26 25) Finished k-point number 52 2 with #bands= 22 29) Finished k-point number 60 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 13) Finished k-point number 28 2 with #bands= 24 7) Finished k-point number 16 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 22) Finished k-point number 46 2 with #bands= 24 9) Finished k-point number 20 2 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 11.0328268442837 Density= 12.0074103954069 EF 10.7607130121702 Density= 11.5322106500851 Brent's Method Step XA XB F(XA) F(XB) 0 0.81089789 0.79089789 0.741040E-02 -0.467789 1 0.81058600 0.81089789 -0.640782E-03 0.741040E-02 2 0.81061083 0.81058600 0.147977E-03 -0.640782E-03 3 0.81060617 0.81058600 0.382382E-05 -0.640782E-03 4 0.81060605 0.81058600 0.703526E-10 -0.640782E-03 Absolute convergence of |F(X)|. Difference in EF= -0.0039707211 EF set to : 11.0288561232 new EF (no-mixing): 11.0288561232 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 20) Finished k-point 41 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 30) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 5) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 29 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 28) Finished k-point 57 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 26) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 35 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 21 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 49 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 42 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 64 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 6 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 32 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 36 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 29) Finished k-point 60 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 30 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 22 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 12 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 28 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 20 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -84.9203990121743 eV Ratio to renormalize= 0.999999999994494 nargs= 1 argi=dmft2.def 3) Finished k-point number 7 1 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 2) Finished k-point number 5 1 with #bands= 22 2) Finished k-point number 6 2 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 Emin,Emax= 0.3576081270 1.2395919378 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 11.0288561232031 sumw= 1728.00000000000 16) Finished k-point number 33 1 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 19) Finished k-point number 39 1 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 8) Finished k-point number 17 1 with #bands= 26 10) Finished k-point number 21 1 with #bands= 24 8) Finished k-point number 18 2 with #bands= 26 11) Finished k-point number 23 1 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 10) Finished k-point number 22 2 with #bands= 22 17) Finished k-point number 35 1 with #bands= 24 7) Finished k-point number 15 1 with #bands= 24 7) Finished k-point number 16 2 with #bands= 24 5) Finished k-point number 11 1 with #bands= 24 5) Finished k-point number 12 2 with #bands= 22 4) Finished k-point number 9 1 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 14) Finished k-point number 29 1 with #bands= 24 21) Finished k-point number 43 1 with #bands= 18 17) Finished k-point number 36 2 with #bands= 22 22) Finished k-point number 45 1 with #bands= 24 12) Finished k-point number 25 1 with #bands= 24 21) Finished k-point number 44 2 with #bands= 26 14) Finished k-point number 30 2 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 20) Finished k-point number 41 1 with #bands= 20 22) Finished k-point number 46 2 with #bands= 24 13) Finished k-point number 27 1 with #bands= 24 13) Finished k-point number 28 2 with #bands= 24 15) Finished k-point number 31 1 with #bands= 22 15) Finished k-point number 32 2 with #bands= 22 20) Finished k-point number 42 2 with #bands= 20 23) Finished k-point number 47 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 6) Finished k-point number 14 2 with #bands= 22 9) Finished k-point number 20 2 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 26) Finished k-point number 53 1 with #bands= 22 26) Finished k-point number 54 2 with #bands= 24 25) Finished k-point number 51 1 with #bands= 22 24) Finished k-point number 49 1 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 25) Finished k-point number 52 2 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 30) Finished k-point number 61 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 28) Finished k-point number 57 1 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 29) Finished k-point number 59 1 with #bands= 22 29) Finished k-point number 60 2 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.955798294155672 0.955831101614598 21) Finished k-point number 43 1 with #bands= 18 3) Finished k-point number 7 1 with #bands= 22 2) Finished k-point number 5 1 with #bands= 22 2) Finished k-point number 6 2 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 20) Finished k-point number 41 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 19) Finished k-point number 39 1 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 5) Finished k-point number 11 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 16) Finished k-point number 33 1 with #bands= 24 15) Finished k-point number 31 1 with #bands= 22 23) Finished k-point number 47 1 with #bands= 22 25) Finished k-point number 51 1 with #bands= 22 26) Finished k-point number 53 1 with #bands= 22 22) Finished k-point number 45 1 with #bands= 24 9) Finished k-point number 19 1 with #bands= 26 30) Finished k-point number 61 1 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 34) Finished k-point number 69 1 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 14) Finished k-point number 29 1 with #bands= 24 24) Finished k-point number 49 1 with #bands= 24 12) Finished k-point number 25 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 28) Finished k-point number 57 1 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 29) Finished k-point number 59 1 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 19) Finished k-point number 40 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 15) Finished k-point number 32 2 with #bands= 22 17) Finished k-point number 36 2 with #bands= 22 14) Finished k-point number 30 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 3) Finished k-point number 8 2 with #bands= 26 23) Finished k-point number 48 2 with #bands= 22 10) Finished k-point number 22 2 with #bands= 22 5) Finished k-point number 12 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 22 29) Finished k-point number 60 2 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 7) Finished k-point number 16 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 22) Finished k-point number 46 2 with #bands= 24 9) Finished k-point number 20 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 11.0288561232031 Density= 12.0080385520116 EF 10.7567422910895 Density= 11.5307866207907 Brent's Method Step XA XB F(XA) F(XB) 0 0.81060605 0.79060605 0.803855E-02 -0.469213 1 0.81026918 0.81060605 -0.318057E-02 0.803855E-02 2 0.81036468 0.81060605 -0.258436E-03 0.803855E-02 3 0.81037286 0.81036468 0.660893E-04 -0.258436E-03 4 0.81037120 0.81037286 -0.840113E-06 0.660893E-04 5 0.81037122 0.81037286 -0.248731E-08 0.660893E-04 6 0.81037122 0.81037122 0.151774E-08 -0.248731E-08 7 0.81037122 0.81037122 -0.248731E-08 0.151774E-08 8 0.81037122 0.81037122 -0.248731E-08 0.151774E-08 Absolute convergence of the X interval. Difference in EF= -0.0031950259 EF set to : 11.0256610973 new EF (no-mixing): 11.0256610973 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 20) Finished k-point 41 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 30) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 23) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 57 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 29 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 35 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 21 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 49 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 42 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 2) Finished k-point 6 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 64 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 32 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 36 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 29) Finished k-point 60 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 30 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 22 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 12 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 32) Finished k-point 66 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 28 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 20 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -85.1059069735785 eV Ratio to renormalize= 1.00000000020762 nargs= 1 argi=dmft2.def Emin,Emax= 0.3576081270 1.2395919378 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 2) Finished k-point number 5 1 with #bands= 22 2) Finished k-point number 6 2 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 Found EF.dat and EF is 11.0256610972892 sumw= 1728.00000000000 9) Finished k-point number 19 1 with #bands= 26 9) Finished k-point number 20 2 with #bands= 24 11) Finished k-point number 23 1 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 3) Finished k-point number 7 1 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 7) Finished k-point number 15 1 with #bands= 24 7) Finished k-point number 16 2 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 27) Finished k-point number 55 1 with #bands= 24 6) Finished k-point number 13 1 with #bands= 22 6) Finished k-point number 14 2 with #bands= 22 25) Finished k-point number 51 1 with #bands= 22 5) Finished k-point number 11 1 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 18) Finished k-point number 37 1 with #bands= 22 27) Finished k-point number 56 2 with #bands= 24 14) Finished k-point number 29 1 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 20) Finished k-point number 41 1 with #bands= 20 23) Finished k-point number 47 1 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 26) Finished k-point number 53 1 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 13) Finished k-point number 27 1 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 20) Finished k-point number 42 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 22 26) Finished k-point number 54 2 with #bands= 24 10) Finished k-point number 21 1 with #bands= 24 13) Finished k-point number 28 2 with #bands= 24 10) Finished k-point number 22 2 with #bands= 22 5) Finished k-point number 12 2 with #bands= 22 12) Finished k-point number 25 1 with #bands= 24 15) Finished k-point number 31 1 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 15) Finished k-point number 32 2 with #bands= 22 22) Finished k-point number 45 1 with #bands= 24 21) Finished k-point number 43 1 with #bands= 18 22) Finished k-point number 46 2 with #bands= 24 21) Finished k-point number 44 2 with #bands= 26 25) Finished k-point number 52 2 with #bands= 22 24) Finished k-point number 49 1 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 30) Finished k-point number 61 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 24 19) Finished k-point number 39 1 with #bands= 22 17) Finished k-point number 36 2 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 35) Finished k-point number 71 1 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 22 28) Finished k-point number 57 1 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 29) Finished k-point number 59 1 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 29) Finished k-point number 60 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.955934709078228 0.955876806405249 3) Finished k-point number 7 1 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 2) Finished k-point number 5 1 with #bands= 22 2) Finished k-point number 6 2 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 11) Finished k-point number 23 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 21) Finished k-point number 43 1 with #bands= 18 19) Finished k-point number 39 1 with #bands= 22 10) Finished k-point number 21 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 24 20) Finished k-point number 41 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 16) Finished k-point number 33 1 with #bands= 24 26) Finished k-point number 53 1 with #bands= 22 30) Finished k-point number 61 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 22 5) Finished k-point number 11 1 with #bands= 24 7) Finished k-point number 15 1 with #bands= 24 34) Finished k-point number 69 1 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 14) Finished k-point number 29 1 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 28) Finished k-point number 57 1 with #bands= 22 24) Finished k-point number 49 1 with #bands= 24 9) Finished k-point number 19 1 with #bands= 26 23) Finished k-point number 47 1 with #bands= 22 27) Finished k-point number 55 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 24 29) Finished k-point number 59 1 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 19) Finished k-point number 40 2 with #bands= 20 31) Finished k-point number 63 1 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 4) Finished k-point number 9 1 with #bands= 26 22) Finished k-point number 45 1 with #bands= 24 11) Finished k-point number 24 2 with #bands= 22 17) Finished k-point number 36 2 with #bands= 22 20) Finished k-point number 42 2 with #bands= 20 10) Finished k-point number 22 2 with #bands= 22 6) Finished k-point number 14 2 with #bands= 22 15) Finished k-point number 32 2 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 28) Finished k-point number 58 2 with #bands= 22 5) Finished k-point number 12 2 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 29) Finished k-point number 60 2 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 24) Finished k-point number 50 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 9) Finished k-point number 20 2 with #bands= 24 8) Finished k-point number 18 2 with #bands= 26 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 7) Finished k-point number 16 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 12) Finished k-point number 26 2 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 24 EF 11.0256610972892 Density= 12.0049691900115 EF 10.7535472651756 Density= 11.5282138889062 Brent's Method Step XA XB F(XA) F(XB) 0 0.81037122 0.79037122 0.496919E-02 -0.471786 1 0.81016276 0.81037122 -0.912251E-03 0.496919E-02 2 0.81019509 0.81037122 -0.493461E-03 0.496919E-02 3 0.81022975 0.81019509 0.128766E-03 -0.493461E-03 4 0.81022258 0.81022975 -0.155116E-04 0.128766E-03 5 0.81022335 0.81022975 -0.398538E-06 0.128766E-03 6 0.81022337 0.81022335 0.561347E-10 -0.398538E-06 Absolute convergence of |F(X)|. Difference in EF= -0.0020115896 EF set to : 11.0236495077 new EF (no-mixing): 11.0236495077 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 20) Finished k-point 41 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 30) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 57 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 5) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 29 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 25) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 21 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 49 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 17) Finished k-point 35 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 42 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 64 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 2) Finished k-point 6 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 32 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 36 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 30 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 29) Finished k-point 60 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 22 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 12 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 28 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 20 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -85.1917021862270 eV Ratio to renormalize= 0.999999999995706 nargs= 1 argi=dmft2.def Emin,Emax= 0.3576081270 1.2395919378 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 3) Finished k-point number 7 1 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 Found EF.dat and EF is 11.0236495077321 sumw= 1728.00000000000 15) Finished k-point number 31 1 with #bands= 22 14) Finished k-point number 29 1 with #bands= 24 2) Finished k-point number 5 1 with #bands= 22 14) Finished k-point number 30 2 with #bands= 22 15) Finished k-point number 32 2 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 2) Finished k-point number 6 2 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 7) Finished k-point number 16 2 with #bands= 24 9) Finished k-point number 19 1 with #bands= 26 9) Finished k-point number 20 2 with #bands= 24 12) Finished k-point number 25 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 5) Finished k-point number 11 1 with #bands= 24 5) Finished k-point number 12 2 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 10) Finished k-point number 22 2 with #bands= 22 4) Finished k-point number 9 1 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 13) Finished k-point number 27 1 with #bands= 24 13) Finished k-point number 28 2 with #bands= 24 11) Finished k-point number 23 1 with #bands= 22 19) Finished k-point number 39 1 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 17) Finished k-point number 35 1 with #bands= 24 20) Finished k-point number 41 1 with #bands= 20 6) Finished k-point number 14 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 22 20) Finished k-point number 42 2 with #bands= 20 21) Finished k-point number 43 1 with #bands= 18 22) Finished k-point number 45 1 with #bands= 24 21) Finished k-point number 44 2 with #bands= 26 16) Finished k-point number 33 1 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 23) Finished k-point number 47 1 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 23) Finished k-point number 48 2 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 25) Finished k-point number 51 1 with #bands= 22 27) Finished k-point number 55 1 with #bands= 24 24) Finished k-point number 49 1 with #bands= 24 31) Finished k-point number 64 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 22 26) Finished k-point number 53 1 with #bands= 22 27) Finished k-point number 56 2 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 25) Finished k-point number 52 2 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 29) Finished k-point number 59 1 with #bands= 22 29) Finished k-point number 60 2 with #bands= 22 28) Finished k-point number 57 1 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 30) Finished k-point number 61 1 with #bands= 20 32) Finished k-point number 65 1 with #bands= 24 34) Finished k-point number 70 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 32) Finished k-point number 66 2 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.955905721014468 0.955881765402618 21) Finished k-point number 43 1 with #bands= 18 3) Finished k-point number 7 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 2) Finished k-point number 5 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 19) Finished k-point number 39 1 with #bands= 22 17) Finished k-point number 35 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 24 1) Finished k-point number 3 1 with #bands= 26 25) Finished k-point number 51 1 with #bands= 22 16) Finished k-point number 33 1 with #bands= 24 26) Finished k-point number 53 1 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 34) Finished k-point number 69 1 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 24) Finished k-point number 49 1 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 32) Finished k-point number 65 1 with #bands= 24 19) Finished k-point number 40 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 6) Finished k-point number 13 1 with #bands= 22 5) Finished k-point number 11 1 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 15) Finished k-point number 31 1 with #bands= 22 23) Finished k-point number 47 1 with #bands= 22 22) Finished k-point number 45 1 with #bands= 24 30) Finished k-point number 61 1 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 14) Finished k-point number 29 1 with #bands= 24 12) Finished k-point number 25 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 24 28) Finished k-point number 57 1 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 29) Finished k-point number 59 1 with #bands= 22 6) Finished k-point number 14 2 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 15) Finished k-point number 32 2 with #bands= 22 17) Finished k-point number 36 2 with #bands= 22 14) Finished k-point number 30 2 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 21) Finished k-point number 44 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 5) Finished k-point number 12 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 28) Finished k-point number 58 2 with #bands= 22 0) Finished k-point number 2 2 with #bands= 26 25) Finished k-point number 52 2 with #bands= 22 29) Finished k-point number 60 2 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 7) Finished k-point number 16 2 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 32) Finished k-point number 66 2 with #bands= 22 9) Finished k-point number 20 2 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 27) Finished k-point number 56 2 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 8) Finished k-point number 18 2 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 11.0236495077321 Density= 12.0006300273110 EF 10.7515356756185 Density= 11.5253409419243 Brent's Method Step XA XB F(XA) F(XB) 0 0.81022337 0.79022337 0.630027E-03 -0.474659 1 0.81019686 0.79022337 0.198862E-03 -0.474659 2 0.81018463 0.79022337 0.339929E-04 -0.474659 3 0.81018211 0.79022337 0.249928E-05 -0.474659 4 0.81018191 0.79022337 0.355352E-07 -0.474659 5 0.81018191 0.79022337 0.380265E-10 -0.474659 Absolute convergence of |F(X)|. Difference in EF= -0.0005640401 EF set to : 11.0230854676 new EF (no-mixing): 11.0230854676 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 20) Finished k-point 41 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 30) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 57 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 5) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 29 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 26) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 35 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 21 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 49 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 20) Finished k-point 42 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 64 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 6 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 32 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 36 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 29) Finished k-point 60 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 30 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 22 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 12 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 28 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 7) Finished k-point 16 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 20 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -85.1817847941665 eV Ratio to renormalize= 0.999999999997189 nargs= 1 argi=dmft2.def 3) Finished k-point number 7 1 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 1) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 Emin,Emax= 0.3576081270 1.2395919378 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 11.0230854676272 2) Finished k-point number 5 1 with #bands= 22 2) Finished k-point number 6 2 with #bands= 22 10) Finished k-point number 21 1 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 10) Finished k-point number 22 2 with #bands= 22 8) Finished k-point number 18 2 with #bands= 26 11) Finished k-point number 23 1 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 11) Finished k-point number 24 2 with #bands= 22 9) Finished k-point number 20 2 with #bands= 24 21) Finished k-point number 43 1 with #bands= 18 sumw= 1728.00000000000 22) Finished k-point number 45 1 with #bands= 24 21) Finished k-point number 44 2 with #bands= 26 22) Finished k-point number 46 2 with #bands= 24 28) Finished k-point number 57 1 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 20) Finished k-point number 41 1 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 23) Finished k-point number 47 1 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 29) Finished k-point number 59 1 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 29) Finished k-point number 60 2 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 30) Finished k-point number 61 1 with #bands= 20 0) Finished k-point number 2 2 with #bands= 26 30) Finished k-point number 62 2 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 34) Finished k-point number 70 2 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 4) Finished k-point number 9 1 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 7) Finished k-point number 16 2 with #bands= 24 6) Finished k-point number 14 2 with #bands= 22 5) Finished k-point number 11 1 with #bands= 24 5) Finished k-point number 12 2 with #bands= 22 4) Finished k-point number 10 2 with #bands= 26 14) Finished k-point number 29 1 with #bands= 24 12) Finished k-point number 25 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 24 14) Finished k-point number 30 2 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 24 15) Finished k-point number 31 1 with #bands= 22 15) Finished k-point number 32 2 with #bands= 22 19) Finished k-point number 39 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 22 16) Finished k-point number 33 1 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 17) Finished k-point number 35 1 with #bands= 24 24) Finished k-point number 49 1 with #bands= 24 25) Finished k-point number 51 1 with #bands= 22 17) Finished k-point number 36 2 with #bands= 22 24) Finished k-point number 50 2 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 26) Finished k-point number 53 1 with #bands= 22 26) Finished k-point number 54 2 with #bands= 24 25) Finished k-point number 52 2 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.955903148446169 0.955893952813977 21) Finished k-point number 43 1 with #bands= 18 3) Finished k-point number 7 1 with #bands= 22 2) Finished k-point number 5 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 18) Finished k-point number 37 1 with #bands= 22 11) Finished k-point number 23 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 17) Finished k-point number 35 1 with #bands= 24 30) Finished k-point number 61 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 24 5) Finished k-point number 11 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 24 7) Finished k-point number 15 1 with #bands= 24 28) Finished k-point number 57 1 with #bands= 22 23) Finished k-point number 47 1 with #bands= 22 12) Finished k-point number 25 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 24 25) Finished k-point number 51 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 26) Finished k-point number 53 1 with #bands= 22 16) Finished k-point number 33 1 with #bands= 24 31) Finished k-point number 63 1 with #bands= 22 29) Finished k-point number 59 1 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 4) Finished k-point number 9 1 with #bands= 26 22) Finished k-point number 45 1 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 24) Finished k-point number 49 1 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 20) Finished k-point number 42 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 22 6) Finished k-point number 14 2 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 22 17) Finished k-point number 36 2 with #bands= 22 14) Finished k-point number 30 2 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 21) Finished k-point number 44 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 5) Finished k-point number 12 2 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 23) Finished k-point number 48 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 26) Finished k-point number 54 2 with #bands= 24 35) Finished k-point number 72 2 with #bands= 22 29) Finished k-point number 60 2 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 13) Finished k-point number 28 2 with #bands= 24 9) Finished k-point number 20 2 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 7) Finished k-point number 16 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 8) Finished k-point number 18 2 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 11.0230854676272 Density= 12.0004861369938 EF 10.7509716355136 Density= 11.5248145842972 Brent's Method Step XA XB F(XA) F(XB) 0 0.81018191 0.79018191 0.486137E-03 -0.475185 1 0.81016147 0.79018191 0.257287E-03 -0.475185 2 0.81013850 0.79018191 0.534506E-04 -0.475185 3 0.81013248 0.79018191 0.740031E-05 -0.475185 4 0.81013152 0.79018191 0.234523E-06 -0.475185 5 0.81013148 0.79018191 0.103662E-08 -0.475185 6 0.81013148 0.79018191 0.408562E-13 -0.475185 Absolute convergence of |F(X)|. Difference in EF= -0.0006860992 EF set to : 11.0223993685 new EF (no-mixing): 11.0223993685 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 20) Finished k-point 41 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 30) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 57 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 23) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 35 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 21 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 5) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 29 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 24) Finished k-point 49 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 42 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 64 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 6 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 32 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 36 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 29) Finished k-point 60 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 30 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 22 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 12 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 13) Finished k-point 28 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 20 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -85.1907526719440 eV Ratio to renormalize= 1.00000000000035 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 Emin,Emax= 0.3576081270 1.2395919378 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 11.0223993684632 sumw= 1728.00000000000 4) Finished k-point number 9 1 with #bands= 26 17) Finished k-point number 35 1 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 5) Finished k-point number 11 1 with #bands= 24 17) Finished k-point number 36 2 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 11) Finished k-point number 23 1 with #bands= 22 10) Finished k-point number 21 1 with #bands= 24 8) Finished k-point number 18 2 with #bands= 26 11) Finished k-point number 24 2 with #bands= 22 10) Finished k-point number 22 2 with #bands= 22 19) Finished k-point number 39 1 with #bands= 22 3) Finished k-point number 7 1 with #bands= 22 2) Finished k-point number 5 1 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 26 18) Finished k-point number 37 1 with #bands= 22 2) Finished k-point number 6 2 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 7) Finished k-point number 16 2 with #bands= 24 24) Finished k-point number 49 1 with #bands= 24 6) Finished k-point number 13 1 with #bands= 22 6) Finished k-point number 14 2 with #bands= 22 5) Finished k-point number 12 2 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 18) Finished k-point number 38 2 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 13) Finished k-point number 27 1 with #bands= 24 9) Finished k-point number 20 2 with #bands= 24 14) Finished k-point number 29 1 with #bands= 24 13) Finished k-point number 28 2 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 26) Finished k-point number 53 1 with #bands= 22 26) Finished k-point number 54 2 with #bands= 24 14) Finished k-point number 30 2 with #bands= 22 25) Finished k-point number 51 1 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 21) Finished k-point number 43 1 with #bands= 18 12) Finished k-point number 25 1 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 21) Finished k-point number 44 2 with #bands= 26 12) Finished k-point number 26 2 with #bands= 24 15) Finished k-point number 31 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 15) Finished k-point number 32 2 with #bands= 22 23) Finished k-point number 47 1 with #bands= 22 20) Finished k-point number 42 2 with #bands= 20 23) Finished k-point number 48 2 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 29) Finished k-point number 59 1 with #bands= 22 29) Finished k-point number 60 2 with #bands= 22 28) Finished k-point number 57 1 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 30) Finished k-point number 61 1 with #bands= 20 30) Finished k-point number 62 2 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.955919770050318 0.955911523190562 21) Finished k-point number 43 1 with #bands= 18 3) Finished k-point number 7 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 20) Finished k-point number 41 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 11) Finished k-point number 23 1 with #bands= 22 2) Finished k-point number 6 2 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 15) Finished k-point number 31 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 19) Finished k-point number 39 1 with #bands= 22 30) Finished k-point number 61 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 24 5) Finished k-point number 11 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 24 7) Finished k-point number 15 1 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 23) Finished k-point number 47 1 with #bands= 22 12) Finished k-point number 25 1 with #bands= 24 9) Finished k-point number 19 1 with #bands= 26 34) Finished k-point number 69 1 with #bands= 22 28) Finished k-point number 57 1 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 13) Finished k-point number 27 1 with #bands= 24 31) Finished k-point number 63 1 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 4) Finished k-point number 9 1 with #bands= 26 32) Finished k-point number 65 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 24 20) Finished k-point number 42 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 22 6) Finished k-point number 14 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 15) Finished k-point number 32 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 27) Finished k-point number 55 1 with #bands= 24 26) Finished k-point number 53 1 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 25) Finished k-point number 51 1 with #bands= 22 29) Finished k-point number 59 1 with #bands= 22 14) Finished k-point number 30 2 with #bands= 22 24) Finished k-point number 49 1 with #bands= 24 17) Finished k-point number 36 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 3) Finished k-point number 8 2 with #bands= 26 5) Finished k-point number 12 2 with #bands= 22 10) Finished k-point number 22 2 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 29) Finished k-point number 60 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 13) Finished k-point number 28 2 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 7) Finished k-point number 16 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 9) Finished k-point number 20 2 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 11.0223993684632 Density= 12.0008640285089 EF 10.7502855363496 Density= 11.5244171126428 Brent's Method Step XA XB F(XA) F(XB) 0 0.81013148 0.79013148 0.864029E-03 -0.475583 1 0.81009521 0.79013148 0.623163E-03 -0.475583 2 0.81000150 0.81009521 -0.920526E-04 0.623163E-03 3 0.81001356 0.81000150 0.288433E-04 -0.920526E-04 4 0.81001068 0.81000150 0.996124E-06 -0.920526E-04 5 0.81001058 0.81001068 -0.656831E-09 0.996124E-06 6 0.81001058 0.81001058 0.321739E-09 -0.656831E-09 7 0.81001058 0.81001058 -0.656831E-09 0.321739E-09 8 0.81001058 0.81001058 -0.656831E-09 0.321739E-09 Absolute convergence of the X interval. Difference in EF= -0.0016449420 EF set to : 11.0207544265 new EF (no-mixing): 11.0207544265 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 20) Finished k-point 41 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 30) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 57 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 25) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 35 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 21 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 49 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 5) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 29 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 42 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 2) Finished k-point 6 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 64 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 32 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 29) Finished k-point 60 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 36 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 30 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 22 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 12 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 28 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 20 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -85.2183115339930 eV Ratio to renormalize= 1.00000000005516 nargs= 1 argi=dmft2.def Emin,Emax= 0.3576081270 1.2395919378 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 1) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 Found EF.dat and EF is 11.0207544265106 sumw= 1728.00000000000 7) Finished k-point number 15 1 with #bands= 24 2) Finished k-point number 5 1 with #bands= 22 7) Finished k-point number 16 2 with #bands= 24 2) Finished k-point number 6 2 with #bands= 22 3) Finished k-point number 7 1 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 4) Finished k-point number 9 1 with #bands= 26 18) Finished k-point number 37 1 with #bands= 22 16) Finished k-point number 33 1 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 18) Finished k-point number 38 2 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 12) Finished k-point number 25 1 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 5) Finished k-point number 11 1 with #bands= 24 8) Finished k-point number 18 2 with #bands= 26 12) Finished k-point number 26 2 with #bands= 24 5) Finished k-point number 12 2 with #bands= 22 10) Finished k-point number 21 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 24 15) Finished k-point number 32 2 with #bands= 22 17) Finished k-point number 36 2 with #bands= 22 10) Finished k-point number 22 2 with #bands= 22 19) Finished k-point number 39 1 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 14) Finished k-point number 29 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 24 14) Finished k-point number 30 2 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 13) Finished k-point number 28 2 with #bands= 24 6) Finished k-point number 14 2 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 9) Finished k-point number 20 2 with #bands= 24 11) Finished k-point number 23 1 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 22) Finished k-point number 45 1 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 21) Finished k-point number 43 1 with #bands= 18 24) Finished k-point number 49 1 with #bands= 24 21) Finished k-point number 44 2 with #bands= 26 35) Finished k-point number 71 1 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 28) Finished k-point number 57 1 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 27) Finished k-point number 55 1 with #bands= 24 26) Finished k-point number 53 1 with #bands= 22 25) Finished k-point number 51 1 with #bands= 22 24) Finished k-point number 50 2 with #bands= 24 31) Finished k-point number 64 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 25) Finished k-point number 52 2 with #bands= 22 20) Finished k-point number 41 1 with #bands= 20 33) Finished k-point number 67 1 with #bands= 22 20) Finished k-point number 42 2 with #bands= 20 33) Finished k-point number 68 2 with #bands= 22 30) Finished k-point number 61 1 with #bands= 20 30) Finished k-point number 62 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 29) Finished k-point number 59 1 with #bands= 22 23) Finished k-point number 47 1 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 29) Finished k-point number 60 2 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.955892740789123 0.955933897751531 21) Finished k-point number 43 1 with #bands= 18 3) Finished k-point number 7 1 with #bands= 22 2) Finished k-point number 5 1 with #bands= 22 2) Finished k-point number 6 2 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 11) Finished k-point number 23 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 10) Finished k-point number 21 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 24 30) Finished k-point number 61 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 22 5) Finished k-point number 11 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 34) Finished k-point number 69 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 9) Finished k-point number 19 1 with #bands= 26 4) Finished k-point number 9 1 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 19) Finished k-point number 40 2 with #bands= 20 23) Finished k-point number 47 1 with #bands= 22 27) Finished k-point number 55 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 24 28) Finished k-point number 57 1 with #bands= 22 26) Finished k-point number 53 1 with #bands= 22 24) Finished k-point number 49 1 with #bands= 24 20) Finished k-point number 42 2 with #bands= 20 13) Finished k-point number 27 1 with #bands= 24 31) Finished k-point number 63 1 with #bands= 22 6) Finished k-point number 14 2 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 17) Finished k-point number 36 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 22 29) Finished k-point number 59 1 with #bands= 22 15) Finished k-point number 32 2 with #bands= 22 14) Finished k-point number 30 2 with #bands= 22 5) Finished k-point number 12 2 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 10) Finished k-point number 22 2 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 21) Finished k-point number 44 2 with #bands= 26 28) Finished k-point number 58 2 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 29) Finished k-point number 60 2 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 7) Finished k-point number 16 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 22) Finished k-point number 46 2 with #bands= 24 9) Finished k-point number 20 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 11.0207544265106 Density= 12.0006637150063 EF 10.7486405943970 Density= 11.5220900389297 Brent's Method Step XA XB F(XA) F(XB) 0 0.81001058 0.79001058 0.663715E-03 -0.477910 1 0.80998285 0.79001058 0.347091E-03 -0.477910 2 0.80995246 0.80998285 -0.674818E-04 0.347091E-03 3 0.80995741 0.80995246 0.470425E-05 -0.674818E-04 4 0.80995708 0.80995246 0.545370E-07 -0.674818E-04 5 0.80995708 0.80995708 -0.128786E-11 0.545370E-07 Absolute convergence of |F(X)|. Difference in EF= -0.0007279271 EF set to : 11.0200264994 new EF (no-mixing): 11.0200264994 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 20) Finished k-point 41 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 30) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 57 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 5) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 29 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 25) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 35 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 21 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 49 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 20) Finished k-point 42 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 64 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 6 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 32 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 36 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 29) Finished k-point 60 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 30 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 22 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 12 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 28 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 7) Finished k-point 16 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 20 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -85.2215942255179 eV Ratio to renormalize= 1.00000000000046 nargs= 1 argi=dmft2.def Emin,Emax= 0.3576081270 1.2395919378 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 3) Finished k-point number 7 1 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 Found EF.dat and EF is 11.0200264993994 sumw= 1728.00000000000 4) Finished k-point number 9 1 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 8) Finished k-point number 17 1 with #bands= 26 10) Finished k-point number 21 1 with #bands= 24 5) Finished k-point number 11 1 with #bands= 24 8) Finished k-point number 18 2 with #bands= 26 7) Finished k-point number 15 1 with #bands= 24 6) Finished k-point number 13 1 with #bands= 22 16) Finished k-point number 33 1 with #bands= 24 5) Finished k-point number 12 2 with #bands= 22 7) Finished k-point number 16 2 with #bands= 24 6) Finished k-point number 14 2 with #bands= 22 2) Finished k-point number 5 1 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 10) Finished k-point number 22 2 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 2) Finished k-point number 6 2 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 15) Finished k-point number 31 1 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 9) Finished k-point number 20 2 with #bands= 24 14) Finished k-point number 29 1 with #bands= 24 19) Finished k-point number 39 1 with #bands= 22 14) Finished k-point number 30 2 with #bands= 22 15) Finished k-point number 32 2 with #bands= 22 24) Finished k-point number 49 1 with #bands= 24 25) Finished k-point number 51 1 with #bands= 22 12) Finished k-point number 25 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 24 21) Finished k-point number 43 1 with #bands= 18 12) Finished k-point number 26 2 with #bands= 24 22) Finished k-point number 45 1 with #bands= 24 19) Finished k-point number 40 2 with #bands= 20 21) Finished k-point number 44 2 with #bands= 26 13) Finished k-point number 27 1 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 24 20) Finished k-point number 41 1 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 24) Finished k-point number 50 2 with #bands= 24 23) Finished k-point number 47 1 with #bands= 22 17) Finished k-point number 36 2 with #bands= 22 26) Finished k-point number 53 1 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 27) Finished k-point number 55 1 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 29) Finished k-point number 59 1 with #bands= 22 29) Finished k-point number 60 2 with #bands= 22 11) Finished k-point number 23 1 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 28) Finished k-point number 57 1 with #bands= 22 30) Finished k-point number 61 1 with #bands= 20 30) Finished k-point number 62 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 31) Finished k-point number 63 1 with #bands= 22 32) Finished k-point number 66 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 35) Finished k-point number 71 1 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.955952320391710 0.955912219362455 3) Finished k-point number 7 1 with #bands= 22 2) Finished k-point number 5 1 with #bands= 22 2) Finished k-point number 6 2 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 11) Finished k-point number 23 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 19) Finished k-point number 39 1 with #bands= 22 21) Finished k-point number 43 1 with #bands= 18 17) Finished k-point number 35 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 24 20) Finished k-point number 41 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 16) Finished k-point number 33 1 with #bands= 24 9) Finished k-point number 19 1 with #bands= 26 30) Finished k-point number 61 1 with #bands= 20 35) Finished k-point number 71 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 24 33) Finished k-point number 67 1 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 23) Finished k-point number 47 1 with #bands= 22 27) Finished k-point number 55 1 with #bands= 24 5) Finished k-point number 11 1 with #bands= 24 12) Finished k-point number 25 1 with #bands= 24 26) Finished k-point number 53 1 with #bands= 22 24) Finished k-point number 49 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 24 19) Finished k-point number 40 2 with #bands= 20 28) Finished k-point number 57 1 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 29) Finished k-point number 59 1 with #bands= 22 17) Finished k-point number 36 2 with #bands= 22 4) Finished k-point number 9 1 with #bands= 26 22) Finished k-point number 45 1 with #bands= 24 34) Finished k-point number 69 1 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 20) Finished k-point number 42 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 22 15) Finished k-point number 32 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 22 14) Finished k-point number 30 2 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 23) Finished k-point number 48 2 with #bands= 22 10) Finished k-point number 22 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 28) Finished k-point number 58 2 with #bands= 22 5) Finished k-point number 12 2 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 29) Finished k-point number 60 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 7) Finished k-point number 16 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 9) Finished k-point number 20 2 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 11.0200264993994 Density= 12.0008012044466 EF 10.7479126672858 Density= 11.5201976524330 Brent's Method Step XA XB F(XA) F(XB) 0 0.80995708 0.78995708 0.801205E-03 -0.479802 1 0.80992374 0.78995708 0.275695E-03 -0.479802 2 0.80990626 0.80992374 -0.293736E-04 0.275695E-03 3 0.80990794 0.80990626 0.823508E-06 -0.293736E-04 4 0.80990789 0.80990626 0.227265E-08 -0.293736E-04 5 0.80990789 0.80990626 0.532907E-14 -0.293736E-04 Absolute convergence of |F(X)|. Difference in EF= -0.0006692113 EF set to : 11.0193572881 new EF (no-mixing): 11.0193572881 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 20) Finished k-point 41 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 30) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 57 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 5) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 29 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 25) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 35 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 21 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 49 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 42 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 64 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 6 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 32 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 36 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 29) Finished k-point 60 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 30 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 10) Finished k-point 22 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 12 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 28 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 20 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -85.2379851798643 eV Ratio to renormalize= 1.00000000000038 nargs= 1 argi=dmft2.def Emin,Emax= 0.3576081270 1.2395919378 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 1) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 Found EF.dat and EF is 11.0193572881086 sumw= 1728.00000000000 9) Finished k-point number 19 1 with #bands= 26 9) Finished k-point number 20 2 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 3) Finished k-point number 7 1 with #bands= 22 2) Finished k-point number 5 1 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 2) Finished k-point number 6 2 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 15) Finished k-point number 31 1 with #bands= 22 10) Finished k-point number 21 1 with #bands= 24 11) Finished k-point number 23 1 with #bands= 22 13) Finished k-point number 27 1 with #bands= 24 10) Finished k-point number 22 2 with #bands= 22 13) Finished k-point number 28 2 with #bands= 24 15) Finished k-point number 32 2 with #bands= 22 16) Finished k-point number 33 1 with #bands= 24 11) Finished k-point number 24 2 with #bands= 22 14) Finished k-point number 29 1 with #bands= 24 19) Finished k-point number 39 1 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 19) Finished k-point number 40 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 22 12) Finished k-point number 25 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 17) Finished k-point number 36 2 with #bands= 22 26) Finished k-point number 53 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 25) Finished k-point number 51 1 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 4) Finished k-point number 9 1 with #bands= 26 31) Finished k-point number 63 1 with #bands= 22 5) Finished k-point number 11 1 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 25) Finished k-point number 52 2 with #bands= 22 4) Finished k-point number 10 2 with #bands= 26 27) Finished k-point number 56 2 with #bands= 24 6) Finished k-point number 13 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 5) Finished k-point number 12 2 with #bands= 22 6) Finished k-point number 14 2 with #bands= 22 7) Finished k-point number 16 2 with #bands= 24 24) Finished k-point number 49 1 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 31) Finished k-point number 64 2 with #bands= 20 20) Finished k-point number 41 1 with #bands= 20 30) Finished k-point number 61 1 with #bands= 20 30) Finished k-point number 62 2 with #bands= 22 28) Finished k-point number 57 1 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 22) Finished k-point number 45 1 with #bands= 24 21) Finished k-point number 43 1 with #bands= 18 29) Finished k-point number 59 1 with #bands= 22 22) Finished k-point number 46 2 with #bands= 24 21) Finished k-point number 44 2 with #bands= 26 20) Finished k-point number 42 2 with #bands= 20 29) Finished k-point number 60 2 with #bands= 22 23) Finished k-point number 47 1 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.955915209626350 0.955931985731301 21) Finished k-point number 43 1 with #bands= 18 3) Finished k-point number 7 1 with #bands= 22 2) Finished k-point number 5 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 18) Finished k-point number 37 1 with #bands= 22 19) Finished k-point number 39 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 11) Finished k-point number 23 1 with #bands= 22 30) Finished k-point number 61 1 with #bands= 20 17) Finished k-point number 35 1 with #bands= 24 5) Finished k-point number 11 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 24 1) Finished k-point number 3 1 with #bands= 26 26) Finished k-point number 53 1 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 16) Finished k-point number 33 1 with #bands= 24 35) Finished k-point number 71 1 with #bands= 22 25) Finished k-point number 51 1 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 24) Finished k-point number 49 1 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 19) Finished k-point number 40 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 23) Finished k-point number 47 1 with #bands= 22 22) Finished k-point number 45 1 with #bands= 24 28) Finished k-point number 57 1 with #bands= 22 20) Finished k-point number 42 2 with #bands= 20 13) Finished k-point number 27 1 with #bands= 24 31) Finished k-point number 63 1 with #bands= 22 6) Finished k-point number 14 2 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 15) Finished k-point number 32 2 with #bands= 22 17) Finished k-point number 36 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 14) Finished k-point number 30 2 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 5) Finished k-point number 12 2 with #bands= 22 10) Finished k-point number 22 2 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 35) Finished k-point number 72 2 with #bands= 22 29) Finished k-point number 59 1 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 25) Finished k-point number 52 2 with #bands= 22 29) Finished k-point number 60 2 with #bands= 22 7) Finished k-point number 16 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 26) Finished k-point number 54 2 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 9) Finished k-point number 20 2 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 11.0193572881086 Density= 12.0000730010053 EF 10.7472434559950 Density= 11.5200504750594 Brent's Method Step XA XB F(XA) F(XB) 0 0.80990789 0.78990789 0.730011E-04 -0.479950 1 0.80990485 0.78990789 0.174241E-04 -0.479950 2 0.80990390 0.80990485 -0.112926E-06 0.174241E-04 3 0.80990391 0.80990390 0.172678E-09 -0.112926E-06 4 0.80990391 0.80990391 -0.166925E-08 0.172678E-09 5 0.80990391 0.80990391 -0.166925E-08 0.172678E-09 Absolute convergence of the X interval. Difference in EF= -0.0000542740 EF set to : 11.0193030142 new EF (no-mixing): 11.0193030142 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 20) Finished k-point 41 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 30) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 57 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 17) Finished k-point 35 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 29) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 29 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 21 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 49 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 42 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 64 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 6 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 32 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 11) Finished k-point 24 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 36 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 29) Finished k-point 60 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 30 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 22 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 12 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 28 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 20 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -85.2324060269895 eV Ratio to renormalize= 1.00000000013946 nargs= 1 argi=dmft2.def Emin,Emax= 0.3576081270 1.2395919378 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 11.0193030141512 2) Finished k-point number 5 1 with #bands= 22 3) Finished k-point number 7 1 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 2) Finished k-point number 6 2 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 sumw= 1728.00000000000 7) Finished k-point number 15 1 with #bands= 24 7) Finished k-point number 16 2 with #bands= 24 6) Finished k-point number 13 1 with #bands= 22 5) Finished k-point number 11 1 with #bands= 24 5) Finished k-point number 12 2 with #bands= 22 4) Finished k-point number 9 1 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 6) Finished k-point number 14 2 with #bands= 22 20) Finished k-point number 41 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 26 20) Finished k-point number 42 2 with #bands= 20 0) Finished k-point number 2 2 with #bands= 26 22) Finished k-point number 45 1 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 21) Finished k-point number 43 1 with #bands= 18 21) Finished k-point number 44 2 with #bands= 26 23) Finished k-point number 47 1 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 24) Finished k-point number 49 1 with #bands= 24 33) Finished k-point number 67 1 with #bands= 22 25) Finished k-point number 51 1 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 27) Finished k-point number 55 1 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 26) Finished k-point number 53 1 with #bands= 22 26) Finished k-point number 54 2 with #bands= 24 25) Finished k-point number 52 2 with #bands= 22 24) Finished k-point number 50 2 with #bands= 24 31) Finished k-point number 64 2 with #bands= 20 28) Finished k-point number 57 1 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 30) Finished k-point number 61 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 29) Finished k-point number 60 2 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 34) Finished k-point number 69 1 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 35) Finished k-point number 71 1 with #bands= 22 9) Finished k-point number 20 2 with #bands= 24 34) Finished k-point number 70 2 with #bands= 22 8) Finished k-point number 18 2 with #bands= 26 35) Finished k-point number 72 2 with #bands= 22 13) Finished k-point number 27 1 with #bands= 24 15) Finished k-point number 31 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 16) Finished k-point number 33 1 with #bands= 24 18) Finished k-point number 38 2 with #bands= 22 13) Finished k-point number 28 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 15) Finished k-point number 32 2 with #bands= 22 14) Finished k-point number 29 1 with #bands= 24 14) Finished k-point number 30 2 with #bands= 22 12) Finished k-point number 25 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 10) Finished k-point number 22 2 with #bands= 22 17) Finished k-point number 35 1 with #bands= 24 17) Finished k-point number 36 2 with #bands= 22 19) Finished k-point number 39 1 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 11) Finished k-point number 23 1 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.955902681292481 0.955954977777530 21) Finished k-point number 43 1 with #bands= 18 3) Finished k-point number 7 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 11) Finished k-point number 23 1 with #bands= 22 30) Finished k-point number 61 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 22 17) Finished k-point number 35 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 24 5) Finished k-point number 11 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 24 7) Finished k-point number 15 1 with #bands= 24 23) Finished k-point number 47 1 with #bands= 22 12) Finished k-point number 25 1 with #bands= 24 2) Finished k-point number 6 2 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 28) Finished k-point number 57 1 with #bands= 22 25) Finished k-point number 51 1 with #bands= 22 13) Finished k-point number 27 1 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 29) Finished k-point number 59 1 with #bands= 22 26) Finished k-point number 53 1 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 34) Finished k-point number 69 1 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 24) Finished k-point number 49 1 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 19) Finished k-point number 40 2 with #bands= 20 35) Finished k-point number 71 1 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 18) Finished k-point number 38 2 with #bands= 22 17) Finished k-point number 36 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 10) Finished k-point number 22 2 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 25) Finished k-point number 52 2 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 0) Finished k-point number 2 2 with #bands= 26 7) Finished k-point number 16 2 with #bands= 24 6) Finished k-point number 14 2 with #bands= 22 5) Finished k-point number 12 2 with #bands= 22 4) Finished k-point number 9 1 with #bands= 26 31) Finished k-point number 63 1 with #bands= 22 22) Finished k-point number 45 1 with #bands= 24 20) Finished k-point number 42 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 31) Finished k-point number 64 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 14) Finished k-point number 30 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 29) Finished k-point number 60 2 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 32) Finished k-point number 66 2 with #bands= 22 22) Finished k-point number 46 2 with #bands= 24 9) Finished k-point number 20 2 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 27) Finished k-point number 56 2 with #bands= 24 8) Finished k-point number 18 2 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 11.0193030141512 Density= 12.0003592713222 EF 10.7471891820376 Density= 11.5202257686769 Brent's Method Step XA XB F(XA) F(XB) 0 0.80990391 0.78990391 0.359271E-03 -0.479774 1 0.80988894 0.78990391 0.766944E-04 -0.479774 2 0.80988488 0.80988894 -0.211951E-05 0.766944E-04 3 0.80988499 0.80988488 0.115269E-07 -0.211951E-05 4 0.80988499 0.80988488 0.203926E-11 -0.211951E-05 Absolute convergence of |F(X)|. Difference in EF= -0.0002573924 EF set to : 11.0190456217 new EF (no-mixing): 11.0190456217 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 20) Finished k-point 41 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 30) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 2) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 57 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 29 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 5) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 25) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 35 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 21 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 49 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 42 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 64 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 6 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 32 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 11) Finished k-point 24 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 36 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 29) Finished k-point 60 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 30 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 22 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 12 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 28 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 20 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -85.2420219151719 eV Ratio to renormalize= 1.00000000000019 nargs= 1 argi=dmft2.def 2) Finished k-point number 5 1 with #bands= 22 Emin,Emax= 0.3576081270 1.2395919378 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 11.0190456217309 sumw= 1728.00000000000 5) Finished k-point number 11 1 with #bands= 24 2) Finished k-point number 6 2 with #bands= 22 4) Finished k-point number 9 1 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 5) Finished k-point number 12 2 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 6) Finished k-point number 14 2 with #bands= 22 3) Finished k-point number 7 1 with #bands= 22 7) Finished k-point number 16 2 with #bands= 24 11) Finished k-point number 23 1 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 3) Finished k-point number 8 2 with #bands= 26 1) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 15) Finished k-point number 31 1 with #bands= 22 19) Finished k-point number 39 1 with #bands= 22 17) Finished k-point number 35 1 with #bands= 24 12) Finished k-point number 25 1 with #bands= 24 19) Finished k-point number 40 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 24 15) Finished k-point number 32 2 with #bands= 22 17) Finished k-point number 36 2 with #bands= 22 14) Finished k-point number 29 1 with #bands= 24 14) Finished k-point number 30 2 with #bands= 22 22) Finished k-point number 45 1 with #bands= 24 23) Finished k-point number 47 1 with #bands= 22 22) Finished k-point number 46 2 with #bands= 24 23) Finished k-point number 48 2 with #bands= 22 13) Finished k-point number 27 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 24 13) Finished k-point number 28 2 with #bands= 24 10) Finished k-point number 22 2 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 20 21) Finished k-point number 43 1 with #bands= 18 18) Finished k-point number 38 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 24) Finished k-point number 49 1 with #bands= 24 20) Finished k-point number 42 2 with #bands= 20 26) Finished k-point number 53 1 with #bands= 22 24) Finished k-point number 50 2 with #bands= 24 25) Finished k-point number 51 1 with #bands= 22 16) Finished k-point number 33 1 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 29) Finished k-point number 59 1 with #bands= 22 27) Finished k-point number 55 1 with #bands= 24 25) Finished k-point number 52 2 with #bands= 22 27) Finished k-point number 56 2 with #bands= 24 29) Finished k-point number 60 2 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 28) Finished k-point number 57 1 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 30) Finished k-point number 61 1 with #bands= 20 31) Finished k-point number 63 1 with #bands= 22 32) Finished k-point number 66 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 35) Finished k-point number 71 1 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 9) Finished k-point number 20 2 with #bands= 24 3) Finished k-point number 7 1 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 2) Finished k-point number 5 1 with #bands= 22 2) Finished k-point number 6 2 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.955907506819488 0.955938577429595 0) Finished k-point number 1 1 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 21) Finished k-point number 43 1 with #bands= 18 11) Finished k-point number 23 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 19) Finished k-point number 39 1 with #bands= 22 17) Finished k-point number 35 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 24 20) Finished k-point number 41 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 16) Finished k-point number 33 1 with #bands= 24 26) Finished k-point number 53 1 with #bands= 22 30) Finished k-point number 61 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 26 5) Finished k-point number 11 1 with #bands= 24 7) Finished k-point number 15 1 with #bands= 24 33) Finished k-point number 67 1 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 14) Finished k-point number 29 1 with #bands= 24 34) Finished k-point number 69 1 with #bands= 22 23) Finished k-point number 47 1 with #bands= 22 12) Finished k-point number 25 1 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 24) Finished k-point number 49 1 with #bands= 24 28) Finished k-point number 57 1 with #bands= 22 27) Finished k-point number 55 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 24 29) Finished k-point number 59 1 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 19) Finished k-point number 40 2 with #bands= 20 22) Finished k-point number 45 1 with #bands= 24 18) Finished k-point number 38 2 with #bands= 22 4) Finished k-point number 9 1 with #bands= 26 20) Finished k-point number 42 2 with #bands= 20 11) Finished k-point number 24 2 with #bands= 22 17) Finished k-point number 36 2 with #bands= 22 6) Finished k-point number 14 2 with #bands= 22 10) Finished k-point number 22 2 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 15) Finished k-point number 32 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 23) Finished k-point number 48 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 5) Finished k-point number 12 2 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 29) Finished k-point number 60 2 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 7) Finished k-point number 16 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 32) Finished k-point number 66 2 with #bands= 22 9) Finished k-point number 20 2 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 11.0190456217309 Density= 11.9998429524772 EF 11.2911594538445 Density= 12.4655245372134 Brent's Method Step XA XB F(XA) F(XB) 0 0.82988499 0.80988499 0.465525 -0.157047E-03 1 0.81988499 0.80988501 0.221327 -0.157047E-03 2 0.81488500 0.80988476 0.122023 -0.157047E-03 3 0.81238488 0.80988488 0.580107E-01 -0.157047E-03 4 0.81113488 0.80988482 0.318985E-01 -0.157048E-03 5 0.81050985 0.80988461 0.139077E-01 -0.157047E-03 6 0.81019723 0.80988472 0.346792E-02 -0.157048E-03 7 0.81004097 0.80988490 0.214283E-02 -0.157048E-03 8 0.80996294 0.80988457 0.121045E-02 -0.157048E-03 9 0.80992375 0.80988474 0.570727E-03 -0.157047E-03 10 0.80990425 0.80988465 0.215205E-03 -0.157048E-03 11 0.80989445 0.80988470 0.283724E-04 -0.157047E-03 12 0.80989296 0.80989445 -0.465814E-06 0.283724E-04 13 0.80989299 0.80989296 0.948328E-09 -0.465814E-06 14 0.80989299 0.80989299 -0.993722E-09 0.948328E-09 15 0.80989299 0.80989299 -0.993722E-09 0.948328E-09 Absolute convergence of the X interval. Difference in EF= 0.0001088302 EF set to : 11.0191544519 new EF (no-mixing): 11.0191544519 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 20) Finished k-point 41 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 2) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 26) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 57 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 35 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 21 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 5) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 49 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 14) Finished k-point 29 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 42 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 2) Finished k-point 6 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 64 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 32 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 36 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 30 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 60 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 22 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 12 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 28 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 20 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -85.2354387167005 eV Ratio to renormalize= 1.00000000008317 nargs= 1 argi=dmft2.def 3) Finished k-point number 7 1 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 2) Finished k-point number 5 1 with #bands= 22 2) Finished k-point number 6 2 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 Emin,Emax= 0.3576081270 1.2395919378 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 11.0191544519408 sumw= 1728.00000000000 10) Finished k-point number 21 1 with #bands= 24 11) Finished k-point number 23 1 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 10) Finished k-point number 22 2 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 5) Finished k-point number 11 1 with #bands= 24 5) Finished k-point number 12 2 with #bands= 22 4) Finished k-point number 9 1 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 13) Finished k-point number 27 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 24 13) Finished k-point number 28 2 with #bands= 24 6) Finished k-point number 14 2 with #bands= 22 14) Finished k-point number 30 2 with #bands= 22 7) Finished k-point number 16 2 with #bands= 24 9) Finished k-point number 19 1 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 9) Finished k-point number 20 2 with #bands= 24 12) Finished k-point number 25 1 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 19) Finished k-point number 39 1 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 19) Finished k-point number 40 2 with #bands= 20 21) Finished k-point number 43 1 with #bands= 18 21) Finished k-point number 44 2 with #bands= 26 22) Finished k-point number 45 1 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 15) Finished k-point number 31 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 15) Finished k-point number 32 2 with #bands= 22 25) Finished k-point number 51 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 17) Finished k-point number 35 1 with #bands= 24 18) Finished k-point number 38 2 with #bands= 22 17) Finished k-point number 36 2 with #bands= 22 23) Finished k-point number 47 1 with #bands= 22 27) Finished k-point number 55 1 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 26) Finished k-point number 53 1 with #bands= 22 26) Finished k-point number 54 2 with #bands= 24 25) Finished k-point number 52 2 with #bands= 22 24) Finished k-point number 49 1 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 23) Finished k-point number 48 2 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 20 34) Finished k-point number 70 2 with #bands= 22 20) Finished k-point number 42 2 with #bands= 20 31) Finished k-point number 63 1 with #bands= 22 28) Finished k-point number 57 1 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 29) Finished k-point number 59 1 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 29) Finished k-point number 60 2 with #bands= 22 30) Finished k-point number 61 1 with #bands= 20 30) Finished k-point number 62 2 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 3) Finished k-point number 7 1 with #bands= 22 2) Finished k-point number 5 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.955910468542916 0.955931480195204 0) Finished k-point number 1 1 with #bands= 26 2) Finished k-point number 6 2 with #bands= 22 21) Finished k-point number 43 1 with #bands= 18 11) Finished k-point number 23 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 19) Finished k-point number 39 1 with #bands= 22 17) Finished k-point number 35 1 with #bands= 24 20) Finished k-point number 41 1 with #bands= 20 10) Finished k-point number 21 1 with #bands= 24 15) Finished k-point number 31 1 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 25) Finished k-point number 51 1 with #bands= 22 16) Finished k-point number 33 1 with #bands= 24 30) Finished k-point number 61 1 with #bands= 20 9) Finished k-point number 19 1 with #bands= 26 14) Finished k-point number 29 1 with #bands= 24 23) Finished k-point number 47 1 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 12) Finished k-point number 25 1 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 13) Finished k-point number 27 1 with #bands= 24 7) Finished k-point number 15 1 with #bands= 24 34) Finished k-point number 69 1 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 31) Finished k-point number 63 1 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 22) Finished k-point number 45 1 with #bands= 24 5) Finished k-point number 11 1 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 20) Finished k-point number 42 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 15) Finished k-point number 32 2 with #bands= 22 6) Finished k-point number 14 2 with #bands= 22 17) Finished k-point number 36 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 14) Finished k-point number 30 2 with #bands= 22 0) Finished k-point number 2 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 30) Finished k-point number 62 2 with #bands= 22 29) Finished k-point number 59 1 with #bands= 22 29) Finished k-point number 60 2 with #bands= 22 28) Finished k-point number 57 1 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 35) Finished k-point number 72 2 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 13) Finished k-point number 28 2 with #bands= 24 34) Finished k-point number 70 2 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 5) Finished k-point number 12 2 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 7) Finished k-point number 16 2 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 9) Finished k-point number 20 2 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 26) Finished k-point number 53 1 with #bands= 22 26) Finished k-point number 54 2 with #bands= 24 25) Finished k-point number 52 2 with #bands= 22 24) Finished k-point number 49 1 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 11.0191544519408 Density= 11.9998938158673 EF 11.2912682840544 Density= 12.4657765585968 Brent's Method Step XA XB F(XA) F(XB) 0 0.82989299 0.80989299 0.465777 -0.106184E-03 1 0.81989299 0.80989300 0.221440 -0.106184E-03 2 0.81489300 0.80989276 0.122172 -0.106184E-03 3 0.81239288 0.80989288 0.580243E-01 -0.106184E-03 4 0.81114288 0.80989282 0.319683E-01 -0.106184E-03 5 0.81051785 0.80989309 0.139995E-01 -0.106184E-03 6 0.81020547 0.80989272 0.349039E-02 -0.106184E-03 7 0.81004909 0.80989266 0.213732E-02 -0.106184E-03 8 0.80997088 0.80989269 0.123496E-02 -0.106184E-03 9 0.80993178 0.80989268 0.610590E-03 -0.106184E-03 10 0.80991223 0.80989268 0.260307E-03 -0.106184E-03 11 0.80990246 0.80989268 0.767334E-04 -0.106184E-03 12 0.80989836 0.80990246 -0.180806E-05 0.767334E-04 13 0.80989845 0.80989836 0.102853E-07 -0.180806E-05 14 0.80989845 0.80989836 0.114042E-11 -0.180806E-05 Absolute convergence of |F(X)|. Difference in EF= 0.0000743813 EF set to : 11.0192288332 new EF (no-mixing): 11.0192288332 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 20) Finished k-point 41 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 30) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 23) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 57 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 29 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 26) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 35 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 21 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 49 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 20) Finished k-point 42 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 64 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 6 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 32 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 36 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 29) Finished k-point 60 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 30 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 22 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 12 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 28 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 20 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -85.2337857947344 eV Ratio to renormalize= 1.00000000000026 nargs= 1 argi=dmft2.def Emin,Emax= 0.3576081270 1.2395919378 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 11.0192288331933 sumw= 1728.00000000000 2) Finished k-point number 5 1 with #bands= 22 2) Finished k-point number 6 2 with #bands= 22 4) Finished k-point number 9 1 with #bands= 26 8) Finished k-point number 17 1 with #bands= 26 10) Finished k-point number 21 1 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 5) Finished k-point number 11 1 with #bands= 24 6) Finished k-point number 13 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 5) Finished k-point number 12 2 with #bands= 22 6) Finished k-point number 14 2 with #bands= 22 7) Finished k-point number 16 2 with #bands= 24 3) Finished k-point number 7 1 with #bands= 22 10) Finished k-point number 22 2 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 3) Finished k-point number 8 2 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 1) Finished k-point number 3 1 with #bands= 26 21) Finished k-point number 43 1 with #bands= 18 17) Finished k-point number 35 1 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 22) Finished k-point number 45 1 with #bands= 24 9) Finished k-point number 19 1 with #bands= 26 18) Finished k-point number 37 1 with #bands= 22 17) Finished k-point number 36 2 with #bands= 22 9) Finished k-point number 20 2 with #bands= 24 14) Finished k-point number 29 1 with #bands= 24 18) Finished k-point number 38 2 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 11) Finished k-point number 23 1 with #bands= 22 22) Finished k-point number 46 2 with #bands= 24 21) Finished k-point number 44 2 with #bands= 26 14) Finished k-point number 30 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 15) Finished k-point number 32 2 with #bands= 22 12) Finished k-point number 25 1 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 20) Finished k-point number 41 1 with #bands= 20 13) Finished k-point number 27 1 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 19) Finished k-point number 39 1 with #bands= 22 13) Finished k-point number 28 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 19) Finished k-point number 40 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 20 23) Finished k-point number 47 1 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 24) Finished k-point number 49 1 with #bands= 24 25) Finished k-point number 51 1 with #bands= 22 26) Finished k-point number 53 1 with #bands= 22 24) Finished k-point number 50 2 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 25) Finished k-point number 52 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 29) Finished k-point number 59 1 with #bands= 22 29) Finished k-point number 60 2 with #bands= 22 30) Finished k-point number 61 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.955928472433855 0.955911107484578 21) Finished k-point number 43 1 with #bands= 18 3) Finished k-point number 7 1 with #bands= 22 2) Finished k-point number 5 1 with #bands= 22 2) Finished k-point number 6 2 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 11) Finished k-point number 23 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 10) Finished k-point number 21 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 24 30) Finished k-point number 61 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 22 5) Finished k-point number 11 1 with #bands= 24 7) Finished k-point number 15 1 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 26) Finished k-point number 53 1 with #bands= 22 14) Finished k-point number 29 1 with #bands= 24 9) Finished k-point number 19 1 with #bands= 26 23) Finished k-point number 47 1 with #bands= 22 12) Finished k-point number 25 1 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 24) Finished k-point number 49 1 with #bands= 24 28) Finished k-point number 57 1 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 13) Finished k-point number 27 1 with #bands= 24 31) Finished k-point number 63 1 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 29) Finished k-point number 59 1 with #bands= 22 27) Finished k-point number 55 1 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 22) Finished k-point number 45 1 with #bands= 24 32) Finished k-point number 65 1 with #bands= 24 20) Finished k-point number 42 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 15) Finished k-point number 32 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 22 14) Finished k-point number 30 2 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 5) Finished k-point number 12 2 with #bands= 22 10) Finished k-point number 22 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 0) Finished k-point number 2 2 with #bands= 26 21) Finished k-point number 44 2 with #bands= 26 25) Finished k-point number 52 2 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 7) Finished k-point number 16 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 29) Finished k-point number 60 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 26) Finished k-point number 54 2 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 24) Finished k-point number 50 2 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 9) Finished k-point number 20 2 with #bands= 24 8) Finished k-point number 18 2 with #bands= 26 27) Finished k-point number 56 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 11.0192288331933 Density= 11.9998697278229 EF 11.2913426653069 Density= 12.4658584079493 Brent's Method Step XA XB F(XA) F(XB) 0 0.82989845 0.80989845 0.465858 -0.130272E-03 1 0.81989845 0.80989847 0.221418 -0.130272E-03 2 0.81489846 0.80989870 0.122191 -0.130272E-03 3 0.81239858 0.80989882 0.579874E-01 -0.130272E-03 4 0.81114870 0.80989852 0.319813E-01 -0.130272E-03 5 0.81052361 0.80989844 0.140298E-01 -0.130272E-03 6 0.81021103 0.80989848 0.345625E-02 -0.130272E-03 7 0.81005475 0.80989870 0.207884E-02 -0.130272E-03 8 0.80997672 0.80989883 0.120086E-02 -0.130272E-03 9 0.80993778 0.80989852 0.588698E-03 -0.130272E-03 10 0.80991815 0.80989868 0.241326E-03 -0.130272E-03 11 0.80990841 0.80989860 0.603463E-04 -0.130272E-03 12 0.80990525 0.80989860 0.364723E-06 -0.130272E-03 13 0.80990523 0.80989860 0.240471E-08 -0.130272E-03 14 0.80990523 0.80989860 0.495604E-12 -0.130272E-03 Absolute convergence of |F(X)|. Difference in EF= 0.0000921835 EF set to : 11.0193210167 new EF (no-mixing): 11.0193210167 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 20) Finished k-point 41 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 30) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 57 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 5) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 29 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 26) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 35 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 21 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 49 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 42 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 64 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 2) Finished k-point 6 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 32 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 17) Finished k-point 36 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 30 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 29) Finished k-point 60 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 22 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 12 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 28 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 20 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -85.2311550461251 eV Ratio to renormalize= 1.00000000000034 nargs= 1 argi=dmft2.def 8) Finished k-point number 17 1 with #bands= 26 4) Finished k-point number 9 1 with #bands= 26 10) Finished k-point number 21 1 with #bands= 24 8) Finished k-point number 18 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 22 3) Finished k-point number 7 1 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 2) Finished k-point number 5 1 with #bands= 22 2) Finished k-point number 6 2 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 7) Finished k-point number 15 1 with #bands= 24 7) Finished k-point number 16 2 with #bands= 24 11) Finished k-point number 23 1 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 6) Finished k-point number 14 2 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 5) Finished k-point number 11 1 with #bands= 24 5) Finished k-point number 12 2 with #bands= 22 4) Finished k-point number 10 2 with #bands= 26 9) Finished k-point number 20 2 with #bands= 24 17) Finished k-point number 35 1 with #bands= 24 15) Finished k-point number 31 1 with #bands= 22 17) Finished k-point number 36 2 with #bands= 22 14) Finished k-point number 29 1 with #bands= 24 14) Finished k-point number 30 2 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 16) Finished k-point number 33 1 with #bands= 24 15) Finished k-point number 32 2 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 19) Finished k-point number 39 1 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 Emin,Emax= 0.3576081270 1.2395919378 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 13) Finished k-point number 27 1 with #bands= 24 25) Finished k-point number 51 1 with #bands= 22 Found EF.dat and EF is 11.0193210166676 13) Finished k-point number 28 2 with #bands= 24 12) Finished k-point number 25 1 with #bands= 24 25) Finished k-point number 52 2 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 28) Finished k-point number 57 1 with #bands= 22 24) Finished k-point number 49 1 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 26) Finished k-point number 53 1 with #bands= 22 sumw= 1728.00000000000 26) Finished k-point number 54 2 with #bands= 24 32) Finished k-point number 65 1 with #bands= 24 31) Finished k-point number 63 1 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 30) Finished k-point number 61 1 with #bands= 20 29) Finished k-point number 59 1 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 29) Finished k-point number 60 2 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 32) Finished k-point number 66 2 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 20) Finished k-point number 41 1 with #bands= 20 22) Finished k-point number 45 1 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 20) Finished k-point number 42 2 with #bands= 20 21) Finished k-point number 43 1 with #bands= 18 21) Finished k-point number 44 2 with #bands= 26 23) Finished k-point number 47 1 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.955949144330829 0.955900026510715 21) Finished k-point number 43 1 with #bands= 18 3) Finished k-point number 7 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 26 2) Finished k-point number 5 1 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 11) Finished k-point number 23 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 30) Finished k-point number 61 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 22 10) Finished k-point number 21 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 24 5) Finished k-point number 11 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 24 7) Finished k-point number 15 1 with #bands= 24 12) Finished k-point number 25 1 with #bands= 24 23) Finished k-point number 47 1 with #bands= 22 28) Finished k-point number 57 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 13) Finished k-point number 27 1 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 29) Finished k-point number 59 1 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 31) Finished k-point number 63 1 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 4) Finished k-point number 9 1 with #bands= 26 34) Finished k-point number 69 1 with #bands= 22 22) Finished k-point number 45 1 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 20) Finished k-point number 42 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 22 6) Finished k-point number 14 2 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 15) Finished k-point number 32 2 with #bands= 22 17) Finished k-point number 36 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 28) Finished k-point number 58 2 with #bands= 22 0) Finished k-point number 2 2 with #bands= 26 27) Finished k-point number 55 1 with #bands= 24 26) Finished k-point number 53 1 with #bands= 22 7) Finished k-point number 16 2 with #bands= 24 25) Finished k-point number 51 1 with #bands= 22 5) Finished k-point number 12 2 with #bands= 22 29) Finished k-point number 60 2 with #bands= 22 24) Finished k-point number 49 1 with #bands= 24 25) Finished k-point number 52 2 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 13) Finished k-point number 28 2 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 33) Finished k-point number 67 1 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 26) Finished k-point number 54 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 9) Finished k-point number 20 2 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 11.0193210166676 Density= 12.0001196973427 EF 10.7472071845540 Density= 11.5201539641388 Brent's Method Step XA XB F(XA) F(XB) 0 0.80990523 0.78990523 0.119697E-03 -0.479846 1 0.80990024 0.78990523 0.233250E-04 -0.479846 2 0.80989903 0.80990024 -0.195878E-06 0.233250E-04 3 0.80989904 0.80989903 0.312976E-09 -0.195878E-06 4 0.80989904 0.80989904 -0.163874E-08 0.312976E-09 5 0.80989904 0.80989904 -0.163874E-08 0.312976E-09 Absolute convergence of the X interval. Difference in EF= -0.0000841501 EF set to : 11.0192368666 new EF (no-mixing): 11.0192368666 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 20) Finished k-point 41 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 30) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 57 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 5) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 29 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 25) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 35 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 21 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 49 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 42 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 64 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 6 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 32 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 36 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 29) Finished k-point 60 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 30 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 22 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 12 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 28 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 20 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -85.2361263393100 eV Ratio to renormalize= 1.00000000013690 nargs= 1 argi=dmft2.def Emin,Emax= 0.3576081270 1.2395919378 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 2) Finished k-point number 5 1 with #bands= 22 2) Finished k-point number 6 2 with #bands= 22 Found EF.dat and EF is 11.0192368665581 sumw= 1728.00000000000 4) Finished k-point number 9 1 with #bands= 26 5) Finished k-point number 11 1 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 5) Finished k-point number 12 2 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 6) Finished k-point number 14 2 with #bands= 22 7) Finished k-point number 16 2 with #bands= 24 3) Finished k-point number 7 1 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 1) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 13) Finished k-point number 27 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 24 11) Finished k-point number 23 1 with #bands= 22 13) Finished k-point number 28 2 with #bands= 24 10) Finished k-point number 22 2 with #bands= 22 14) Finished k-point number 29 1 with #bands= 24 14) Finished k-point number 30 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 9) Finished k-point number 20 2 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 15) Finished k-point number 31 1 with #bands= 22 16) Finished k-point number 33 1 with #bands= 24 8) Finished k-point number 18 2 with #bands= 26 16) Finished k-point number 34 2 with #bands= 24 18) Finished k-point number 37 1 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 12) Finished k-point number 25 1 with #bands= 24 15) Finished k-point number 32 2 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 17) Finished k-point number 35 1 with #bands= 24 19) Finished k-point number 39 1 with #bands= 22 17) Finished k-point number 36 2 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 22) Finished k-point number 45 1 with #bands= 24 20) Finished k-point number 41 1 with #bands= 20 22) Finished k-point number 46 2 with #bands= 24 20) Finished k-point number 42 2 with #bands= 20 30) Finished k-point number 61 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 24 21) Finished k-point number 43 1 with #bands= 18 30) Finished k-point number 62 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 35) Finished k-point number 71 1 with #bands= 22 23) Finished k-point number 47 1 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 28) Finished k-point number 57 1 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 27) Finished k-point number 56 2 with #bands= 24 26) Finished k-point number 53 1 with #bands= 22 26) Finished k-point number 54 2 with #bands= 24 25) Finished k-point number 51 1 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 24) Finished k-point number 49 1 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 35) Finished k-point number 72 2 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 29) Finished k-point number 59 1 with #bands= 22 29) Finished k-point number 60 2 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.955907977647067 0.955932798972917 21) Finished k-point number 43 1 with #bands= 18 3) Finished k-point number 7 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 20) Finished k-point number 41 1 with #bands= 20 2) Finished k-point number 5 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 11) Finished k-point number 23 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 19) Finished k-point number 39 1 with #bands= 22 30) Finished k-point number 61 1 with #bands= 20 5) Finished k-point number 11 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 24 25) Finished k-point number 51 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 23) Finished k-point number 47 1 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 35) Finished k-point number 71 1 with #bands= 22 13) Finished k-point number 27 1 with #bands= 24 34) Finished k-point number 69 1 with #bands= 22 28) Finished k-point number 57 1 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 29) Finished k-point number 59 1 with #bands= 22 4) Finished k-point number 9 1 with #bands= 26 22) Finished k-point number 45 1 with #bands= 24 32) Finished k-point number 65 1 with #bands= 24 20) Finished k-point number 42 2 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 2) Finished k-point number 6 2 with #bands= 22 27) Finished k-point number 55 1 with #bands= 24 26) Finished k-point number 53 1 with #bands= 22 24) Finished k-point number 49 1 with #bands= 24 6) Finished k-point number 14 2 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 20 15) Finished k-point number 32 2 with #bands= 22 17) Finished k-point number 36 2 with #bands= 22 14) Finished k-point number 30 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 23) Finished k-point number 48 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 5) Finished k-point number 12 2 with #bands= 22 0) Finished k-point number 2 2 with #bands= 26 35) Finished k-point number 72 2 with #bands= 22 29) Finished k-point number 60 2 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 13) Finished k-point number 28 2 with #bands= 24 7) Finished k-point number 16 2 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 32) Finished k-point number 66 2 with #bands= 22 9) Finished k-point number 20 2 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 11.0192368665581 Density= 12.0001156478844 EF 10.7471230344445 Density= 11.5201746075919 Brent's Method Step XA XB F(XA) F(XB) 0 0.80989904 0.78989904 0.115648E-03 -0.479825 1 0.80989422 0.78989904 0.200520E-04 -0.479825 2 0.80989321 0.80989422 -0.144905E-06 0.200520E-04 3 0.80989322 0.80989321 0.177852E-09 -0.144905E-06 4 0.80989322 0.80989322 -0.182280E-08 0.177852E-09 5 0.80989322 0.80989322 -0.182280E-08 0.177852E-09 Absolute convergence of the X interval. Difference in EF= -0.0000792251 EF set to : 11.0191576415 new EF (no-mixing): 11.0191576415 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx 26 20) Finished k-point 41 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 30) Finished k-point 61 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 2) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 57 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 25) Finished k-point 51 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 35 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 21 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 5) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 29 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 27 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 59 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 24) Finished k-point 49 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 42 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 64 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 2) Finished k-point 6 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 32 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 17) Finished k-point 36 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 29) Finished k-point 60 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 14) Finished k-point 30 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 10) Finished k-point 22 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 12 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 13) Finished k-point 28 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 20 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -85.2396199882535 eV Ratio to renormalize= 1.00000000015226