nargs= 1 argi=dmft2.def 67) Finished k-point number 68 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.929028770204121 0.922470719725278 0.933115909905477 0.921806339167198 0.913920928166972 0.920043149987692 0.931272287553156 61) Finished k-point number 62 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.0463986485000 Density= 19.4676007069371 20.0000000000000 EF 15.3185124806136 Density= 19.9726101214048 20.0000000000000 EF 15.5906263127272 Density= 20.4870438277372 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1458900 1.1258900 0.487044 -0.273899E-01 1 1.1358900 1.1258905 0.229514 -0.273899E-01 2 1.1308902 1.1258907 0.100947 -0.273899E-01 3 1.1283905 1.1258901 0.368036E-01 -0.273899E-01 4 1.1271403 1.1258900 0.471205E-02 -0.273899E-01 5 1.1269568 1.1271403 -0.497784E-06 0.471205E-02 6 1.1269568 1.1269568 0.769163E-11 -0.497784E-06 Absolute convergence of |F(X)|. Difference in EF too large to mix 0.286627995623862 cutoff= 2.9999999E-02 Difference in EF= 0.2866279956 EF set to : 15.3330266441 new EF (no-mixing): 15.3330266441 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 32 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 36 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 18.5869551507131 eV Ratio to renormalize= 1.00000009470733 nargs= 1 argi=dmft2.def 65) Finished k-point number 66 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.928850978907110 0.922291944528244 0.932896986356510 0.921605906730948 0.913663447632074 0.919811004291646 0.931204749385973 49) Finished k-point number 50 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.3330266441239 Density= 19.9725615904118 20.0000000000000 EF 15.6051404762374 Density= 20.4873157735024 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1469568 1.1269568 0.487316 -0.274384E-01 1 1.1369568 1.1269563 0.229690 -0.274384E-01 2 1.1319565 1.1269565 0.100960 -0.274384E-01 3 1.1294565 1.1269564 0.367616E-01 -0.274384E-01 4 1.1282065 1.1269560 0.465737E-02 -0.274384E-01 5 1.1280251 1.1282065 -0.240573E-05 0.465737E-02 6 1.1280251 1.1280251 0.845546E-12 -0.240573E-05 Absolute convergence of |F(X)|. Difference in EF= 0.0145359540 EF set to : 15.3475625981 new EF (no-mixing): 15.3475625981 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 36 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 32 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 Sum of eigenvalues= 19.1542529233873 eV Ratio to renormalize= 1.00000008180022 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.928410857556516 0.921756712182001 0.932536985839086 0.921108761122042 0.913043900446343 0.919325883629172 0.930833622585929 0) Finished k-point number 1 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.3475625981370 Density= 19.9298262933461 20.0000000000000 EF 15.6196764302505 Density= 20.4479661133720 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1480251 1.1280251 0.447966 -0.701737E-01 1 1.1380251 1.1280256 0.187828 -0.701737E-01 2 1.1330254 1.1280259 0.585543E-01 -0.701737E-01 3 1.1307539 1.1280259 0.249291E-04 -0.701737E-01 4 1.1307529 1.1280259 0.114327E-08 -0.701737E-01 5 1.1307529 1.1307529 -0.143173E-08 0.114327E-08 Relative convergence of the X interval. Difference in EF too large to mix 3.711314128613156E-002 cutoff= 2.9999999E-02 Difference in EF= 0.0371131413 EF set to : 15.3846757394 new EF (no-mixing): 15.3846757394 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 36 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 32 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 Sum of eigenvalues= 20.3101252223288 eV Ratio to renormalize= 1.00000009024387 nargs= 1 argi=dmft2.def 67) Finished k-point number 68 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.928295016851421 0.921741916724485 0.932370077625543 0.921009727877801 0.912953586681439 0.919130295518393 0.930831657552153 60) Finished k-point number 61 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.3846757394231 Density= 19.9858591808805 20.0000000000000 EF 15.6567895715367 Density= 20.5016417791710 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1507529 1.1307529 0.501642 -0.141408E-01 1 1.1407529 1.1307534 0.245438 -0.141408E-01 2 1.1357532 1.1307527 0.114996 -0.141408E-01 3 1.1332529 1.1307530 0.503472E-01 -0.141408E-01 4 1.1320030 1.1307533 0.180885E-01 -0.141408E-01 5 1.1313782 1.1307527 0.197525E-02 -0.141408E-01 6 1.1313015 1.1313782 -0.121754E-05 0.197525E-02 7 1.1313015 1.1313782 -0.378897E-10 0.197525E-02 Absolute convergence of |F(X)|. Difference in EF= 0.0074645460 EF set to : 15.3921402854 new EF (no-mixing): 15.3921402854 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 32 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 20.4093438215914 eV Ratio to renormalize= 1.00000010512050 nargs= 1 argi=dmft2.def 61) Finished k-point number 62 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.928270265434210 0.921519566745638 0.932283910130997 0.920885021254963 0.912714095196733 0.919080322332787 0.930715562531380 67) Finished k-point number 68 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.3921402854034 Density= 19.9784659398133 20.0000000000000 EF 15.6642541175170 Density= 20.4952506213605 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1513015 1.1313015 0.495251 -0.215341E-01 1 1.1413015 1.1313011 0.238702 -0.215341E-01 2 1.1363013 1.1313013 0.107782 -0.215341E-01 3 1.1338013 1.1313012 0.430153E-01 -0.215341E-01 4 1.1325513 1.1313017 0.107136E-01 -0.215341E-01 5 1.1321364 1.1313017 0.268638E-05 -0.215341E-01 6 1.1321363 1.1313017 0.202551E-09 -0.215341E-01 7 1.1321363 1.1321363 -0.237845E-08 0.202551E-09 Relative convergence of the X interval. Difference in EF= 0.0113568830 EF set to : 15.4034971684 new EF (no-mixing): 15.4034971684 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 36 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 32 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 20.6447258168646 eV Ratio to renormalize= 1.00000013342585 nargs= 1 argi=dmft2.def 65) Finished k-point number 66 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.928352943840305 0.921680127043276 0.932342703525468 0.920941046536506 0.912746586372023 0.919032021803552 0.930752129354935 63) Finished k-point number 64 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.4034971683834 Density= 20.0051553968975 20.0000000000000 EF 15.1313833362698 Density= 19.5004798436375 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1321363 1.1121363 0.515540E-02 -0.499520 1 1.1319320 1.1321363 -0.115184E-03 0.515540E-02 2 1.1319364 1.1321363 -0.113964E-07 0.515540E-02 3 1.1319364 1.1321363 0.00000 0.515540E-02 Absolute convergence of |F(X)|. Difference in EF= -0.0027189619 EF set to : 15.4007782065 new EF (no-mixing): 15.4007782065 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 32 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 36 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 Sum of eigenvalues= 20.6229174926027 eV Ratio to renormalize= 1.00000011897992 nargs= 1 argi=dmft2.def 65) Finished k-point number 66 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 67) Finished k-point number 68 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.928314215380037 0.921582007992013 0.932324261975837 0.920951984354849 0.912807663474562 0.919151397168916 0.930790073519711 64) Finished k-point number 65 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.4007782064889 Density= 20.0001621404530 20.0000000000000 EF 15.1286643743753 Density= 19.4958353607683 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1319364 1.1119364 0.162140E-03 -0.504165 1 1.1319300 1.1319364 -0.368139E-05 0.162140E-03 2 1.1319301 1.1319364 -0.111662E-10 0.162140E-03 Absolute convergence of |F(X)|. Difference in EF= -0.0000855420 EF set to : 15.4006926644 new EF (no-mixing): 15.4006926644 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 36 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 32 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 20.6319659315111 eV Ratio to renormalize= 1.00000012315192 nargs= 1 argi=dmft2.def 67) Finished k-point number 68 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.928283271474053 0.921721922789837 0.932361891225594 0.920951682211899 0.912838244621225 0.919011145777819 0.930751740423545 65) Finished k-point number 66 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.4006926644459 Density= 19.9997479444690 20.0000000000000 EF 15.6728064965595 Density= 20.5148429545898 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1519301 1.1319301 0.514843 -0.252056E-03 1 1.1419301 1.1319297 0.260068 -0.252056E-03 2 1.1369299 1.1319299 0.129056 -0.252056E-03 3 1.1344299 1.1319298 0.642954E-01 -0.252056E-03 4 1.1331798 1.1319303 0.319967E-01 -0.252056E-03 5 1.1325551 1.1319296 0.158699E-01 -0.252056E-03 6 1.1322423 1.1319295 0.780055E-02 -0.252056E-03 7 1.1320859 1.1319295 0.376545E-02 -0.252056E-03 8 1.1320077 1.1319295 0.174881E-02 -0.252055E-03 9 1.1319686 1.1319295 0.740207E-03 -0.252056E-03 10 1.1319491 1.1319295 0.236089E-03 -0.252056E-03 11 1.1319397 1.1319491 -0.584058E-05 0.236089E-03 12 1.1319399 1.1319491 -0.258851E-10 0.236089E-03 Absolute convergence of |F(X)|. Difference in EF= 0.0001329768 EF set to : 15.4008256412 new EF (no-mixing): 15.4008256412 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 32 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 36 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 Sum of eigenvalues= 20.6324962721754 eV Ratio to renormalize= 1.00000012173351 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.928350297180248 0.921652151164561 0.932525630835912 0.920951987331147 0.912772131066926 0.919081732987518 0.930588487357780 62) Finished k-point number 63 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.4008256412407 Density= 19.9993671591642 20.0000000000000 EF 15.6729394733543 Density= 20.5144810375210 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1519399 1.1319399 0.514481 -0.632841E-03 1 1.1419399 1.1319404 0.259658 -0.632841E-03 2 1.1369402 1.1319406 0.128679 -0.632841E-03 3 1.1344404 1.1319400 0.639300E-01 -0.632841E-03 4 1.1331902 1.1319408 0.316300E-01 -0.632841E-03 5 1.1325655 1.1319400 0.155054E-01 -0.632841E-03 6 1.1322527 1.1319399 0.743563E-02 -0.632841E-03 7 1.1320963 1.1319399 0.340106E-02 -0.632841E-03 8 1.1320181 1.1319399 0.138429E-02 -0.632841E-03 9 1.1319790 1.1319399 0.375817E-03 -0.632841E-03 10 1.1319645 1.1319399 0.111366E-06 -0.632841E-03 11 1.1319644 1.1319399 0.242082E-10 -0.632841E-03 Absolute convergence of |F(X)|. Difference in EF= 0.0003338764 EF set to : 15.4011595176 new EF (no-mixing): 15.4011595176 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 32 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 36 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 20.6380308108777 eV Ratio to renormalize= 1.00000011848755 nargs= 1 argi=dmft2.def 61) Finished k-point number 62 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.928256929923691 0.921566632884761 0.932389621338741 0.920952880842548 0.912867422275384 0.919169133925229 0.930725883536372 62) Finished k-point number 63 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.4011595176424 Density= 19.6864876017181 20.0000000000000 EF 15.6732733497560 Density= 20.3223881788296 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1519644 1.1319644 0.322388 -0.313512 1 1.1419644 1.1519649 -0.453221E-02 0.322388 2 1.1421031 1.1419644 0.694944E-04 -0.453221E-02 3 1.1421010 1.1421031 -0.422779E-07 0.694944E-04 4 1.1421010 1.1421031 -0.401457E-12 0.694944E-04 Absolute convergence of |F(X)|. Difference in EF too large to mix 0.137914738098090 cutoff= 2.9999999E-02 Difference in EF= 0.1379147381 EF set to : 15.5390742557 new EF (no-mixing): 15.5390742557 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 20.6048903932855 eV Ratio to renormalize= 1.00000009148649 nargs= 1 argi=dmft2.def 63) Finished k-point number 64 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.928258343429643 0.921649504474228 0.932426117847397 0.920951807297294 0.912863800601657 0.919084054433972 0.930687646684192 64) Finished k-point number 65 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 67) Finished k-point number 68 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.5390742557405 Density= 19.9999154429956 20.0000000000000 EF 15.8111880878541 Density= 20.6160424258328 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1621010 1.1421010 0.616042 -0.845570E-04 1 1.1521010 1.1421005 0.326558 -0.845570E-04 2 1.1471008 1.1421008 0.167393 -0.845570E-04 3 1.1446008 1.1421007 0.840788E-01 -0.845570E-04 4 1.1433507 1.1421012 0.417402E-01 -0.845570E-04 5 1.1427259 1.1421004 0.207447E-01 -0.845570E-04 6 1.1424132 1.1421003 0.103020E-01 -0.845570E-04 7 1.1422568 1.1421004 0.509357E-02 -0.845570E-04 8 1.1421786 1.1421004 0.249345E-02 -0.845570E-04 9 1.1421395 1.1421004 0.119371E-02 -0.845570E-04 10 1.1421199 1.1421004 0.544234E-03 -0.845570E-04 11 1.1421101 1.1421008 0.219434E-03 -0.845570E-04 12 1.1421055 1.1421006 0.650199E-04 -0.845570E-04 13 1.1421034 1.1421055 -0.495201E-05 0.650199E-04 14 1.1421035 1.1421055 -0.448352E-10 0.650199E-04 Absolute convergence of |F(X)|. Difference in EF= 0.0000346340 EF set to : 15.5391088897 new EF (no-mixing): 15.5391088897 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 20.6056433745100 eV Ratio to renormalize= 1.00000009176458 nargs= 1 argi=dmft2.def 61) Finished k-point number 62 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.929099387197171 0.922491556282144 0.933163751970865 0.921830042583575 0.913845324361133 0.920078155321016 0.931445051117526 63) Finished k-point number 64 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.5391088897132 Density= 20.1366922421506 20.0000000000000 EF 15.2669950575996 Density= 19.5376706576245 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1421035 1.1221035 0.136692 -0.462329 1 1.1375397 1.1421035 -0.139167E-01 0.136692 2 1.1379614 1.1421035 -0.172195E-03 0.136692 3 1.1379667 1.1379614 0.216876E-06 -0.172195E-03 4 1.1379667 1.1379667 -0.644107E-11 0.216876E-06 Absolute convergence of |F(X)|. Difference in EF too large to mix -5.628492724011893E-002 cutoff= 2.9999999E-02 Difference in EF= -0.0562849272 EF set to : 15.4828239625 new EF (no-mixing): 15.4828239625 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 20.0336701155817 eV Ratio to renormalize= 1.00000040128552 nargs= 1 argi=dmft2.def 4) Finished k-point number 5 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.929138282855190 0.922510815885818 0.933220110248495 0.921966932950764 0.914094680006622 0.920352507832904 0.931628108792473 62) Finished k-point number 63 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.4828239624731 Density= 20.0219982887731 20.0000000000000 EF 15.2107101303595 Density= 19.4515455331144 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1379667 1.1179667 0.219983E-01 -0.548454 1 1.1371954 1.1379667 -0.310954E-02 0.219983E-01 2 1.1372909 1.1379667 -0.116320E-04 0.219983E-01 3 1.1372913 1.1372909 0.361759E-09 -0.116320E-04 4 1.1372913 1.1372913 -0.288333E-08 0.361759E-09 Relative convergence of the X interval. Difference in EF= -0.0091890199 EF set to : 15.4736349426 new EF (no-mixing): 15.4736349426 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 19.9748152304565 eV Ratio to renormalize= 1.00000033937549 nargs= 1 argi=dmft2.def 2) Finished k-point number 3 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.929192547174340 0.922508857780762 0.933108938714215 0.921943651390032 0.913995671134264 0.920311112454564 0.931700450634792 60) Finished k-point number 61 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.4736349425867 Density= 19.9995868369801 20.0000000000000 EF 15.7457487747003 Density= 20.6030840634494 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1572913 1.1372913 0.603084 -0.413163E-03 1 1.1472913 1.1372918 0.325467 -0.413163E-03 2 1.1422915 1.1372911 0.164338 -0.413163E-03 3 1.1397913 1.1372914 0.816570E-01 -0.413163E-03 4 1.1385414 1.1372917 0.404458E-01 -0.413163E-03 5 1.1379165 1.1372911 0.199619E-01 -0.413163E-03 6 1.1376038 1.1372919 0.975408E-02 -0.413163E-03 7 1.1374479 1.1372910 0.467566E-02 -0.413163E-03 8 1.1373694 1.1372915 0.212559E-02 -0.413163E-03 9 1.1373304 1.1372912 0.858489E-03 -0.413163E-03 10 1.1373108 1.1372913 0.221613E-03 -0.413163E-03 11 1.1373040 1.1372913 0.772974E-06 -0.413163E-03 12 1.1373040 1.1372913 0.103173E-08 -0.413163E-03 13 1.1373040 1.1373040 -0.221622E-08 0.103173E-08 Relative convergence of the X interval. Difference in EF= 0.0001730876 EF set to : 15.4738080302 new EF (no-mixing): 15.4738080302 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 19.9874543227036 eV Ratio to renormalize= 1.00000033947695 nargs= 1 argi=dmft2.def 66) Finished k-point number 67 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.929161764911997 0.922617943750848 0.933172040030690 0.921959533182301 0.914067889354684 0.920245507030480 0.931664006560382 67) Finished k-point number 68 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.4738080302351 Density= 20.0089344580225 20.0000000000000 EF 15.2016941981215 Density= 19.4417636983091 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1373040 1.1173040 0.893446E-02 -0.558236 1 1.1369890 1.1373040 -0.130282E-02 0.893446E-02 2 1.1370291 1.1373040 -0.203724E-05 0.893446E-02 3 1.1370291 1.1370291 0.997247E-11 -0.203724E-05 Absolute convergence of |F(X)|. Difference in EF= -0.0037401558 EF set to : 15.4700678744 new EF (no-mixing): 15.4700678744 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 19.9490494922088 eV Ratio to renormalize= 1.00000031331050 nargs= 1 argi=dmft2.def 65) Finished k-point number 66 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.929238007548488 0.922514292156033 0.933178992889016 0.921978377666109 0.914032564261741 0.920389903975673 0.931688175260822 66) Finished k-point number 67 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.4700678743971 Density= 20.0036978386211 20.0000000000000 EF 15.1979540422835 Density= 19.4378666011495 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1370291 1.1170291 0.369784E-02 -0.562133 1 1.1368984 1.1370291 -0.542909E-03 0.369784E-02 2 1.1369151 1.1370291 -0.353819E-06 0.369784E-02 3 1.1369152 1.1369151 0.284217E-12 -0.353819E-06 Absolute convergence of |F(X)|. Difference in EF= -0.0015505136 EF set to : 15.4685173607 new EF (no-mixing): 15.4685173607 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 19.9237313815247 eV Ratio to renormalize= 1.00000031580275 nargs= 1 argi=dmft2.def 63) Finished k-point number 64 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 67) Finished k-point number 68 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.929231462977481 0.922742160926780 0.933245135713482 0.921984886974571 0.914053650888414 0.920176417480870 0.931632592516895 60) Finished k-point number 61 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.4685173607493 Density= 20.0016075227506 20.0000000000000 EF 15.1964035286357 Density= 19.4362888700791 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1369152 1.1169152 0.160752E-02 -0.563711 1 1.1368583 1.1369152 -0.236759E-03 0.160752E-02 2 1.1368656 1.1369152 -0.673812E-07 0.160752E-02 3 1.1368656 1.1368656 0.355271E-14 -0.673812E-07 Absolute convergence of |F(X)|. Difference in EF= -0.0006744133 EF set to : 15.4678429474 new EF (no-mixing): 15.4678429474 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 19.9123087441262 eV Ratio to renormalize= 1.00000030945660 nargs= 1 argi=dmft2.def 65) Finished k-point number 66 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 67) Finished k-point number 68 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.929214555474007 0.922592181708575 0.933128778893525 0.921984333218357 0.914069716668916 0.920325619322386 0.931748162495038 37) Finished k-point number 38 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.4678429474396 Density= 19.7506542583056 20.0000000000000 EF 15.7399567795532 Density= 20.3241707585945 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1568656 1.1368656 0.324171 -0.249346 1 1.1468656 1.1368651 0.373813E-01 -0.249346 2 1.1455619 1.1468656 -0.792084E-03 0.373813E-01 3 1.1455890 1.1455619 0.218970E-06 -0.792084E-03 4 1.1455890 1.1455619 0.295586E-11 -0.792084E-03 Absolute convergence of |F(X)|. Difference in EF too large to mix 0.118687670470051 cutoff= 2.9999999E-02 Difference in EF= 0.1186876705 EF set to : 15.5865306179 new EF (no-mixing): 15.5865306179 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 34 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 19.9667200602162 eV Ratio to renormalize= 1.00000000017892 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.929290897194916 0.922672493193410 0.933165143454429 0.921990204861831 0.914005689302664 0.920257726987246 0.931721851569180 65) Finished k-point number 66 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.5865306179097 Density= 20.0009933043601 20.0000000000000 EF 15.3144167857961 Density= 19.4845787378937 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1455890 1.1255890 0.993304E-03 -0.515421 1 1.1455505 1.1455890 -0.133556E-03 0.993304E-03 2 1.1455551 1.1455505 0.249609E-08 -0.133556E-03 3 1.1455551 1.1455551 -0.433207E-09 0.249609E-08 Relative convergence of the X interval. Difference in EF= -0.0004613686 EF set to : 15.5860692493 new EF (no-mixing): 15.5860692493 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 34 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 19.9623174972560 eV Ratio to renormalize= 1.00000000020067 nargs= 1 argi=dmft2.def 67) Finished k-point number 68 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.929778555106272 0.923311947360903 0.933644318104651 0.922622240774771 0.914816392331246 0.920935698722367 0.932327106258498 60) Finished k-point number 61 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 67) Finished k-point number 68 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.5860692492931 Density= 20.0916705936304 20.0000000000000 EF 15.3139554171796 Density= 19.5545650529915 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1455551 1.1255551 0.916706E-01 -0.445435 1 1.1421416 1.1455551 -0.103856E-01 0.916706E-01 2 1.1424889 1.1421416 0.105571E-03 -0.103856E-01 3 1.1424854 1.1424889 -0.131535E-06 0.105571E-03 4 1.1424854 1.1424889 -0.111910E-11 0.105571E-03 Absolute convergence of |F(X)|. Difference in EF too large to mix -4.176434974014883E-002 cutoff= 2.9999999E-02 Difference in EF= -0.0417643497 EF set to : 15.5443048996 new EF (no-mixing): 15.5443048996 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 34 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 Sum of eigenvalues= 19.5849079365887 eV Ratio to renormalize= 1.00000000015284 nargs= 1 argi=dmft2.def 66) Finished k-point number 67 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 67) Finished k-point number 68 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.929924461110214 0.923368291801007 0.933935136376222 0.922762876179212 0.914952750653660 0.921163480198840 0.932279879558272 60) Finished k-point number 61 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.5443048995530 Density= 20.0177482765314 20.0000000000000 EF 15.2721910674394 Density= 19.4994493452443 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1424854 1.1224854 0.177483E-01 -0.500551 1 1.1418006 1.1424854 -0.296515E-02 0.177483E-01 2 1.1418986 1.1424854 -0.989789E-05 0.177483E-01 3 1.1418989 1.1418986 0.112524E-08 -0.989789E-05 4 1.1418989 1.1418989 -0.189114E-08 0.112524E-08 Relative convergence of the X interval. Difference in EF= -0.0079797239 EF set to : 15.5363251756 new EF (no-mixing): 15.5363251756 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 Sum of eigenvalues= 19.5147958461513 eV Ratio to renormalize= 1.00000000009688 nargs= 1 argi=dmft2.def 65) Finished k-point number 66 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.929960195179118 0.923530131555148 0.933819596761921 0.922824446826088 0.915039028820646 0.921123588251058 0.932501190751616 66) Finished k-point number 67 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.5363251756088 Density= 20.0085657974431 20.0000000000000 EF 15.2642113434952 Density= 19.4930771304832 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1418989 1.1218989 0.856580E-02 -0.506923 1 1.1415666 1.1418989 -0.145103E-02 0.856580E-02 2 1.1416147 1.1418989 -0.293223E-05 0.856580E-02 3 1.1416148 1.1416147 0.246985E-10 -0.293223E-05 Absolute convergence of |F(X)|. Difference in EF= -0.0038653421 EF set to : 15.5324598335 new EF (no-mixing): 15.5324598335 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 19.4728485645076 eV Ratio to renormalize= 1.00000000015254 nargs= 1 argi=dmft2.def 63) Finished k-point number 64 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.930009929862010 0.923445590844111 0.933887912842183 0.922826289734815 0.914988760721394 0.921206698140500 0.932436006524042 63) Finished k-point number 64 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.5324598334769 Density= 20.0002035160928 20.0000000000000 EF 15.2603460013633 Density= 19.4869563286119 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1416148 1.1216148 0.203516E-03 -0.513044 1 1.1416069 1.1416148 -0.351017E-04 0.203516E-03 2 1.1416081 1.1416148 -0.172428E-08 0.203516E-03 3 1.1416081 1.1416081 0.128445E-08 -0.172428E-08 Relative convergence of the X interval. Difference in EF= -0.0000920264 EF set to : 15.5323678071 new EF (no-mixing): 15.5323678071 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 19.4724058957943 eV Ratio to renormalize= 1.00000000008984 nargs= 1 argi=dmft2.def 10) Finished k-point number 11 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 67) Finished k-point number 68 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.929993423841011 0.923475696176397 0.933878144500502 0.922850486100346 0.915052091021002 0.921223210778005 0.932487752475325 60) Finished k-point number 61 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.5323678071125 Density= 20.0034513800106 20.0000000000000 EF 15.2602539749989 Density= 19.4894727224453 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1416081 1.1216081 0.345138E-02 -0.510527 1 1.1414738 1.1416081 -0.587505E-03 0.345138E-02 2 1.1414933 1.1416081 -0.490953E-06 0.345138E-02 3 1.1414933 1.1414933 0.170530E-12 -0.490953E-06 Absolute convergence of |F(X)|. Difference in EF= -0.0015612332 EF set to : 15.5308065739 new EF (no-mixing): 15.5308065739 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 Sum of eigenvalues= 19.4552891682169 eV Ratio to renormalize= 1.00000000015443 nargs= 1 argi=dmft2.def 62) Finished k-point number 63 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.930019864702492 0.923414451724093 0.933934116120483 0.922844272618263 0.915013806253035 0.921272570709333 0.932421100538213 63) Finished k-point number 64 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.5308065739349 Density= 19.9992594089062 20.0000000000000 EF 15.8029204060484 Density= 20.5578048192983 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1614933 1.1414933 0.557805 -0.740591E-03 1 1.1514933 1.1414929 0.290310 -0.740591E-03 2 1.1464931 1.1414931 0.148458 -0.740591E-03 3 1.1439931 1.1414930 0.747817E-01 -0.740591E-03 4 1.1427430 1.1414935 0.370876E-01 -0.740591E-03 5 1.1421183 1.1414937 0.181228E-01 -0.740591E-03 6 1.1418060 1.1414936 0.867748E-02 -0.740591E-03 7 1.1416498 1.1414932 0.396762E-02 -0.740591E-03 8 1.1415715 1.1414934 0.161023E-02 -0.740591E-03 9 1.1415325 1.1414933 0.435736E-03 -0.740591E-03 10 1.1415180 1.1415325 -0.547911E-06 0.435736E-03 11 1.1415180 1.1415325 -0.579554E-10 0.435736E-03 Absolute convergence of |F(X)|. Difference in EF= 0.0003352239 EF set to : 15.5311417978 new EF (no-mixing): 15.5311417978 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 19.4571060167577 eV Ratio to renormalize= 1.00000000015732 nargs= 1 argi=dmft2.def 62) Finished k-point number 63 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.929987690569680 0.923473098617202 0.933915531395758 0.922844285896522 0.915045931704118 0.921213684012376 0.932439708264227 63) Finished k-point number 64 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.5311417977874 Density= 19.8292743775869 20.0000000000000 EF 15.8032556299010 Density= 20.3711754179121 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1615180 1.1415180 0.371175 -0.170726 1 1.1515180 1.1415185 0.962727E-01 -0.170726 2 1.1479451 1.1415185 0.813015E-03 -0.170726 3 1.1479146 1.1415185 0.221753E-05 -0.170726 4 1.1479145 1.1415185 0.102570E-09 -0.170726 5 1.1479145 1.1479145 -0.256089E-08 0.102570E-09 Relative convergence of the X interval. Difference in EF too large to mix 8.702983759965732E-002 cutoff= 2.9999999E-02 Difference in EF= 0.0870298376 EF set to : 15.6181716354 new EF (no-mixing): 15.6181716354 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 34 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 19.4995013161048 eV Ratio to renormalize= 1.00000000030826 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.929945575889527 0.923488580691758 0.933870672541962 0.922843637867514 0.915086740042408 0.921196944351998 0.932483457298374 62) Finished k-point number 63 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6181716353870 Density= 19.9998789214604 20.0000000000000 EF 15.8902854675006 Density= 20.5332113419743 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1679145 1.1479145 0.533211 -0.121079E-03 1 1.1579145 1.1479141 0.268684 -0.121079E-03 2 1.1529143 1.1479143 0.133526 -0.121079E-03 3 1.1504143 1.1479142 0.666140E-01 -0.121079E-03 4 1.1491643 1.1479147 0.332068E-01 -0.121079E-03 5 1.1485395 1.1479140 0.165349E-01 -0.121079E-03 6 1.1482267 1.1479148 0.819669E-02 -0.121079E-03 7 1.1480708 1.1479139 0.404100E-02 -0.121079E-03 8 1.1479924 1.1479144 0.195170E-02 -0.121079E-03 9 1.1479534 1.1479142 0.913198E-03 -0.121079E-03 10 1.1479338 1.1479143 0.390980E-03 -0.121079E-03 11 1.1479240 1.1479147 0.131380E-03 -0.121079E-03 12 1.1479194 1.1479145 0.718189E-05 -0.121079E-03 13 1.1479191 1.1479194 -0.200056E-06 0.718189E-05 14 1.1479191 1.1479194 -0.603961E-13 0.718189E-05 Absolute convergence of |F(X)|. Difference in EF= 0.0000618538 EF set to : 15.6182334892 new EF (no-mixing): 15.6182334892 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 34 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 19.4999554623150 eV Ratio to renormalize= 1.00000000034773 nargs= 1 argi=dmft2.def 63) Finished k-point number 64 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.930125438077621 0.923726519031900 0.934106161926351 0.923024248522791 0.915253687937575 0.921315677128351 0.932581357753805 60) Finished k-point number 61 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 48) Finished k-point number 49 1 with #bands= 32 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6182334892099 Density= 20.0270913414590 20.0000000000000 EF 15.3461196570963 Density= 19.5351627600399 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1479191 1.1279191 0.270913E-01 -0.464837 1 1.1468177 1.1479191 -0.236971E-02 0.270913E-01 2 1.1469063 1.1479191 -0.162306E-05 0.270913E-01 3 1.1469063 1.1469063 0.848033E-11 -0.162306E-05 Absolute convergence of |F(X)|. Difference in EF= -0.0137795599 EF set to : 15.6044539293 new EF (no-mixing): 15.6044539293 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 34 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 19.4520627385018 eV Ratio to renormalize= 1.00000000018262 nargs= 1 argi=dmft2.def 66) Finished k-point number 67 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.930335750757584 0.923892247704133 0.934309425750164 0.923228907318984 0.915440786322767 0.921549566727746 0.932725202380214 63) Finished k-point number 64 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6044539293107 Density= 20.0302182627961 20.0000000000000 EF 15.3323400971971 Density= 19.5379246520111 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1469063 1.1269063 0.302183E-01 -0.462075 1 1.1456787 1.1469063 -0.279773E-02 0.302183E-01 2 1.1457827 1.1469063 -0.174663E-06 0.302183E-01 3 1.1457827 1.1469063 -0.923706E-12 0.302183E-01 Absolute convergence of |F(X)|. Difference in EF= -0.0152875716 EF set to : 15.5891663577 new EF (no-mixing): 15.5891663577 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 34 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 19.3244372994352 eV Ratio to renormalize= 1.00000000005249 nargs= 1 argi=dmft2.def 61) Finished k-point number 62 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.930363772788170 0.923883165014169 0.934268293223675 0.923266548962148 0.915496334397349 0.921638769396547 0.932826439032298 60) Finished k-point number 61 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.5891663577125 Density= 20.0018509417360 20.0000000000000 EF 15.3170525255989 Density= 19.5157852518693 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1457827 1.1257827 0.185094E-02 -0.484215 1 1.1457065 1.1457827 -0.197401E-03 0.185094E-02 2 1.1457139 1.1457065 0.233989E-09 -0.197401E-03 3 1.1457139 1.1457139 -0.245554E-08 0.233989E-09 Relative convergence of the X interval. Difference in EF= -0.0009363508 EF set to : 15.5882300069 new EF (no-mixing): 15.5882300069 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 34 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 41 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 Sum of eigenvalues= 19.2876470078507 eV Ratio to renormalize= 1.00000000042394 nargs= 1 argi=dmft2.def 65) Finished k-point number 66 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.930358900863118 0.923904399634166 0.934314938160889 0.923303017793941 0.915583911579546 0.921700248672824 0.932841044594669 63) Finished k-point number 64 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.5882300069367 Density= 20.0029176918545 20.0000000000000 EF 15.3161161748231 Density= 19.5167000145386 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1457139 1.1257139 0.291769E-02 -0.483300 1 1.1455939 1.1457139 -0.312171E-03 0.291769E-02 2 1.1456055 1.1455939 0.345739E-08 -0.312171E-03 3 1.1456055 1.1455939 0.106581E-13 -0.312171E-03 Absolute convergence of |F(X)|. Difference in EF= -0.0014750784 EF set to : 15.5867549285 new EF (no-mixing): 15.5867549285 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 34 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 41 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 19.2635658495410 eV Ratio to renormalize= 1.00000000041844 nargs= 1 argi=dmft2.def 65) Finished k-point number 66 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.930417071477795 0.923993756112780 0.934324110588303 0.923349636525909 0.915623155706177 0.921709376086975 0.932912062326304 60) Finished k-point number 61 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.5867549285114 Density= 20.0058453343831 20.0000000000000 EF 15.3146410963978 Density= 19.5190564240026 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1456055 1.1256055 0.584533E-02 -0.480944 1 1.1453653 1.1456055 -0.627193E-03 0.584533E-02 2 1.1453886 1.1453653 0.450666E-07 -0.627193E-03 3 1.1453886 1.1453653 0.408562E-12 -0.627193E-03 Absolute convergence of |F(X)|. Difference in EF= -0.0029509247 EF set to : 15.5838040038 new EF (no-mixing): 15.5838040038 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 34 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 Sum of eigenvalues= 19.2304243991233 eV Ratio to renormalize= 1.00000000009233 nargs= 1 argi=dmft2.def 61) Finished k-point number 62 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.930524432201208 0.923973594185295 0.934554392723534 0.923457783473806 0.915744104169713 0.921959038895739 0.932859701607220 71) Finished k-point number 72 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.5838040038482 Density= 20.0132020812136 20.0000000000000 EF 15.3116901717346 Density= 19.5249270591055 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1453886 1.1253886 0.132021E-01 -0.475073 1 1.1448478 1.1453886 -0.142756E-02 0.132021E-01 2 1.1449006 1.1448478 0.726883E-06 -0.142756E-02 3 1.1449005 1.1448478 0.494111E-10 -0.142756E-02 Absolute convergence of |F(X)|. Difference in EF= -0.0066398931 EF set to : 15.5771641107 new EF (no-mixing): 15.5771641107 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 34 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 19.1168989939386 eV Ratio to renormalize= 1.00000000093956 nargs= 1 argi=dmft2.def 61) Finished k-point number 62 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.930581114869604 0.924173799375325 0.934439572475333 0.923485244253853 0.915748975828146 0.921821247793813 0.933013619809654 65) Finished k-point number 66 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.5771641107117 Density= 20.0023320004871 20.0000000000000 EF 15.3050502785981 Density= 19.5165126965097 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1449005 1.1249005 0.233200E-02 -0.483487 1 1.1448045 1.1449005 -0.269565E-03 0.233200E-02 2 1.1448145 1.1448045 0.358135E-07 -0.269565E-03 3 1.1448145 1.1448045 0.568434E-12 -0.269565E-03 Absolute convergence of |F(X)|. Difference in EF= -0.0011708601 EF set to : 15.5759932506 new EF (no-mixing): 15.5759932506 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 34 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 Sum of eigenvalues= 19.0709215898038 eV Ratio to renormalize= 1.00000000050101 nargs= 1 argi=dmft2.def 65) Finished k-point number 66 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.930687044686156 0.924064500101585 0.934545502899544 0.923619823566020 0.915922058725200 0.922213724750150 0.933139120650526 63) Finished k-point number 64 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.5759932506211 Density= 20.0167970085607 20.0000000000000 EF 15.3038794185075 Density= 19.5281221721952 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1448145 1.1248145 0.167970E-01 -0.471878 1 1.1441270 1.1448145 -0.193678E-02 0.167970E-01 2 1.1441981 1.1441270 0.344807E-05 -0.193678E-02 3 1.1441980 1.1441270 0.862183E-09 -0.193678E-02 4 1.1441980 1.1441980 -0.186709E-08 0.862183E-09 Relative convergence of the X interval. Difference in EF= -0.0083879897 EF set to : 15.5676052609 new EF (no-mixing): 15.5676052609 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 34 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 Sum of eigenvalues= 18.9809620269975 eV Ratio to renormalize= 1.00000000040948 nargs= 1 argi=dmft2.def 11) Finished k-point number 12 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 67) Finished k-point number 68 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.930603512858909 0.924077157778027 0.934440526710261 0.923522015033056 0.915802461618711 0.921995461553525 0.933076336972249 63) Finished k-point number 64 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.5676052609469 Density= 19.8685741689566 20.0000000000000 EF 15.8397190930605 Density= 20.4052928135028 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1641980 1.1441980 0.405293 -0.131426 1 1.1541980 1.1441975 0.131329 -0.131426 2 1.1492497 1.1441975 0.550115E-03 -0.131426 3 1.1492287 1.1441975 0.744844E-06 -0.131426 4 1.1492287 1.1441975 0.689937E-11 -0.131426 Absolute convergence of |F(X)|. Difference in EF too large to mix 6.844660502122264E-002 cutoff= 2.9999999E-02 Difference in EF= 0.0684466050 EF set to : 15.6360518660 new EF (no-mixing): 15.6360518660 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 Sum of eigenvalues= 19.0885373332154 eV Ratio to renormalize= 1.00000000016209 nargs= 1 argi=dmft2.def 65) Finished k-point number 66 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 67) Finished k-point number 68 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.930701329111195 0.924081971914160 0.934594875837640 0.923613773971050 0.915893788809162 0.922181991133292 0.933080421215392 61) Finished k-point number 62 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6360518659682 Density= 20.0114454616547 20.0000000000000 EF 15.3639380338546 Density= 19.5222963773416 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1492287 1.1292287 0.114455E-01 -0.477704 1 1.1487607 1.1492287 -0.857172E-03 0.114455E-01 2 1.1487933 1.1492287 -0.441191E-06 0.114455E-01 3 1.1487934 1.1492287 -0.397904E-12 0.114455E-01 Absolute convergence of |F(X)|. Difference in EF= -0.0059232650 EF set to : 15.6301286009 new EF (no-mixing): 15.6301286009 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 Sum of eigenvalues= 19.0273534750309 eV Ratio to renormalize= 1.00000000015786 nargs= 1 argi=dmft2.def 65) Finished k-point number 66 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 67) Finished k-point number 68 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931035001701484 0.924670259943405 0.934831742068583 0.924018359665380 0.916383443277200 0.922427244647702 0.933530132018016 61) Finished k-point number 62 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 48) Finished k-point number 49 1 with #bands= 32 EF 15.6301286009305 Density= 20.0532315015101 20.0000000000000 EF 15.3580147688169 Density= 19.5566353963455 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1487934 1.1287934 0.532315E-01 -0.443365 1 1.1466495 1.1487934 -0.361707E-02 0.532315E-01 2 1.1467859 1.1487934 -0.300882E-05 0.532315E-01 3 1.1467860 1.1487934 -0.475673E-10 0.532315E-01 Absolute convergence of |F(X)|. Difference in EF= -0.0273111890 EF set to : 15.6028174119 new EF (no-mixing): 15.6028174119 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 34 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 Sum of eigenvalues= 18.7538909955564 eV Ratio to renormalize= 1.00000000014441 nargs= 1 argi=dmft2.def 61) Finished k-point number 62 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931103248721297 0.924595138386145 0.934923855968542 0.924017677982947 0.916311409522868 0.922498123998565 0.933437076331291 66) Finished k-point number 67 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6028174119278 Density= 19.9998067457370 20.0000000000000 EF 15.8749312440414 Density= 20.5294506134699 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1667860 1.1467860 0.529451 -0.193254E-03 1 1.1567860 1.1467865 0.264971 -0.193254E-03 2 1.1517863 1.1467858 0.132526 -0.193254E-03 3 1.1492860 1.1467862 0.661221E-01 -0.193254E-03 4 1.1480361 1.1467865 0.329471E-01 -0.193254E-03 5 1.1474113 1.1467858 0.163782E-01 -0.193254E-03 6 1.1470986 1.1467866 0.808889E-02 -0.193254E-03 7 1.1469426 1.1467858 0.395546E-02 -0.193254E-03 8 1.1468642 1.1467862 0.187736E-02 -0.193254E-03 9 1.1468252 1.1467860 0.844131E-03 -0.193254E-03 10 1.1468056 1.1467861 0.324638E-03 -0.193254E-03 11 1.1467958 1.1467865 0.663365E-04 -0.193254E-03 12 1.1467934 1.1467865 0.307219E-05 -0.193254E-03 13 1.1467933 1.1467865 0.499180E-07 -0.193254E-03 14 1.1467933 1.1467865 0.504414E-10 -0.193254E-03 Absolute convergence of |F(X)|. Difference in EF= 0.0000992290 EF set to : 15.6029166410 new EF (no-mixing): 15.6029166410 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 34 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 Sum of eigenvalues= 18.7559625707272 eV Ratio to renormalize= 1.00000000013973 nargs= 1 argi=dmft2.def 63) Finished k-point number 64 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 67) Finished k-point number 68 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931035522748017 0.924655565803487 0.934943907769607 0.924016004049169 0.916371690466776 0.922429474858736 0.933414115539760 65) Finished k-point number 66 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6029166409608 Density= 19.9994062987765 20.0000000000000 EF 15.8750304730744 Density= 20.5290918307817 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1667933 1.1467933 0.529092 -0.593701E-03 1 1.1567933 1.1467929 0.264593 -0.593701E-03 2 1.1517931 1.1467931 0.132123 -0.593701E-03 3 1.1492931 1.1467930 0.657219E-01 -0.593701E-03 4 1.1480430 1.1467926 0.325409E-01 -0.593701E-03 5 1.1474178 1.1467928 0.159592E-01 -0.593701E-03 6 1.1471053 1.1467931 0.767443E-02 -0.593701E-03 7 1.1469492 1.1467925 0.353774E-02 -0.593701E-03 8 1.1468708 1.1467928 0.146078E-02 -0.593701E-03 9 1.1468318 1.1467926 0.426731E-03 -0.593701E-03 10 1.1468155 1.1468318 -0.587101E-05 0.426731E-03 11 1.1468157 1.1468318 -0.290434E-10 0.426731E-03 Absolute convergence of |F(X)|. Difference in EF= 0.0003048052 EF set to : 15.6032214461 new EF (no-mixing): 15.6032214461 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 34 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 18.7605844976781 eV Ratio to renormalize= 1.00000000013581 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931019068370716 0.924731936082770 0.934876635561978 0.924015707502773 0.916386847887511 0.922351785169896 0.933480866417072 69) Finished k-point number 70 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6032214461191 Density= 19.9109340479807 20.0000000000000 EF 15.8753352782327 Density= 20.4503299051085 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1668157 1.1468157 0.450330 -0.890660E-01 1 1.1568157 1.1468162 0.176726 -0.890659E-01 2 1.1518160 1.1468155 0.424373E-01 -0.890659E-01 3 1.1502135 1.1468155 0.100432E-03 -0.890659E-01 4 1.1502097 1.1468155 0.646082E-07 -0.890659E-01 5 1.1502097 1.1468155 0.110134E-12 -0.890659E-01 Absolute convergence of |F(X)|. Difference in EF too large to mix 4.617706078209539E-002 cutoff= 2.9999999E-02 Difference in EF= 0.0461770608 EF set to : 15.6493985069 new EF (no-mixing): 15.6493985069 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 18.7792698585590 eV Ratio to renormalize= 0.999999999993166 nargs= 1 argi=dmft2.def 65) Finished k-point number 66 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 67) Finished k-point number 68 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931021076152245 0.924570622808410 0.934931011723476 0.924014678301512 0.916382828849666 0.922511038349019 0.933424664830166 61) Finished k-point number 62 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6493985069012 Density= 19.9997919559032 20.0000000000000 EF 15.9215123390148 Density= 20.5348686881404 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1702097 1.1502097 0.534869 -0.208044E-03 1 1.1602097 1.1502102 0.272617 -0.208044E-03 2 1.1552099 1.1502094 0.132892 -0.208044E-03 3 1.1527097 1.1502098 0.659594E-01 -0.208044E-03 4 1.1514597 1.1502101 0.327963E-01 -0.208044E-03 5 1.1508349 1.1502095 0.162812E-01 -0.208044E-03 6 1.1505222 1.1502103 0.802958E-02 -0.208044E-03 7 1.1503662 1.1502104 0.391753E-02 -0.208044E-03 8 1.1502883 1.1502098 0.186338E-02 -0.208044E-03 9 1.1502491 1.1502101 0.829680E-03 -0.208044E-03 10 1.1502296 1.1502100 0.316290E-03 -0.208044E-03 11 1.1502198 1.1502096 0.579012E-04 -0.208044E-03 12 1.1502175 1.1502198 -0.139760E-05 0.579012E-04 13 1.1502176 1.1502198 -0.490985E-11 0.579012E-04 Absolute convergence of |F(X)|. Difference in EF= 0.0001074429 EF set to : 15.6495059498 new EF (no-mixing): 15.6495059498 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 Sum of eigenvalues= 18.7795216348739 eV Ratio to renormalize= 0.999999999993629 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931346739496088 0.925057507529693 0.935207229013532 0.924350245238830 0.916735711578437 0.922710310427580 0.933736448478352 63) Finished k-point number 64 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6495059498181 Density= 20.0399155913651 20.0000000000000 EF 15.3773921177045 Density= 19.5432568327243 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1502176 1.1302176 0.399156E-01 -0.456743 1 1.1486102 1.1502176 -0.266849E-02 0.399156E-01 2 1.1487109 1.1502176 -0.351285E-05 0.399156E-01 3 1.1487111 1.1502176 -0.622933E-10 0.399156E-01 Absolute convergence of |F(X)|. Difference in EF= -0.0204970836 EF set to : 15.6290088662 new EF (no-mixing): 15.6290088662 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 34 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 Sum of eigenvalues= 18.6318241579548 eV Ratio to renormalize= 1.00000000007464 nargs= 1 argi=dmft2.def 67) Finished k-point number 68 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931390091959602 0.925037149281107 0.935128907955719 0.924347476753959 0.916701710283709 0.922739726494257 0.933803221265868 62) Finished k-point number 63 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6290088661999 Density= 20.0016915983416 20.0000000000000 EF 15.3568950340863 Density= 19.5128208862110 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1487111 1.1287111 0.169160E-02 -0.487179 1 1.1486419 1.1487111 -0.139147E-03 0.169160E-02 2 1.1486471 1.1487111 -0.655095E-08 0.169160E-02 3 1.1486471 1.1487111 -0.355271E-14 0.169160E-02 Absolute convergence of |F(X)|. Difference in EF= -0.0008700043 EF set to : 15.6281388619 new EF (no-mixing): 15.6281388619 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 34 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 18.5714618545874 eV Ratio to renormalize= 1.00000000007144 nargs= 1 argi=dmft2.def 61) Finished k-point number 62 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 67) Finished k-point number 68 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931384425155606 0.924903132392191 0.935147534034820 0.924395573278982 0.916805421818491 0.922972482029266 0.933867314439443 60) Finished k-point number 61 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6281388619281 Density= 20.0053702347809 20.0000000000000 EF 15.3560250298145 Density= 19.5158115141760 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1486471 1.1286471 0.537023E-02 -0.484188 1 1.1484277 1.1486471 -0.439014E-03 0.537023E-02 2 1.1484443 1.1486471 -0.569681E-07 0.537023E-02 3 1.1484443 1.1486471 -0.284217E-13 0.537023E-02 Absolute convergence of |F(X)|. Difference in EF= -0.0027593562 EF set to : 15.6253795057 new EF (no-mixing): 15.6253795057 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 34 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 18.5451347941088 eV Ratio to renormalize= 1.00000000007076 nargs= 1 argi=dmft2.def 65) Finished k-point number 66 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931363260680007 0.925037454372950 0.935184604010156 0.924381957460908 0.916797296258623 0.922808440182382 0.933806513588691 67) Finished k-point number 68 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6253795057079 Density= 19.9980611409324 20.0000000000000 EF 15.8974933378215 Density= 20.5329841251333 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1684443 1.1484443 0.532984 -0.193886E-02 1 1.1584443 1.1484448 0.266628 -0.193886E-02 2 1.1534446 1.1484450 0.131079 -0.193886E-02 3 1.1509448 1.1484444 0.643971E-01 -0.193886E-02 4 1.1496946 1.1484443 0.311888E-01 -0.193886E-02 5 1.1490694 1.1484444 0.146155E-01 -0.193886E-02 6 1.1487569 1.1484448 0.633693E-02 -0.193886E-02 7 1.1486008 1.1484450 0.220486E-02 -0.193886E-02 8 1.1485229 1.1484444 0.142626E-03 -0.193886E-02 9 1.1485175 1.1485229 -0.396804E-06 0.142626E-03 10 1.1485176 1.1485229 -0.141753E-11 0.142626E-03 Absolute convergence of |F(X)|. Difference in EF= 0.0009965499 EF set to : 15.6263760557 new EF (no-mixing): 15.6263760557 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 34 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 18.5542725688984 eV Ratio to renormalize= 1.00000000007202 nargs= 1 argi=dmft2.def 66) Finished k-point number 67 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931373261462773 0.924999751289838 0.935160642661980 0.924383320072162 0.916789335797816 0.922848280875609 0.933832929179021 63) Finished k-point number 64 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6263760556502 Density= 19.9999222732036 20.0000000000000 EF 15.8984898877637 Density= 20.5347907264243 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1685176 1.1485176 0.534791 -0.777268E-04 1 1.1585176 1.1485171 0.268603 -0.777268E-04 2 1.1535173 1.1485173 0.132969 -0.777268E-04 3 1.1510173 1.1485172 0.662635E-01 -0.777268E-04 4 1.1497673 1.1485168 0.330467E-01 -0.777268E-04 5 1.1491420 1.1485170 0.164655E-01 -0.777268E-04 6 1.1488295 1.1485174 0.818460E-02 -0.777268E-04 7 1.1486734 1.1485167 0.405059E-02 -0.777268E-04 8 1.1485951 1.1485170 0.197514E-02 -0.777268E-04 9 1.1485561 1.1485169 0.941891E-03 -0.777268E-04 10 1.1485365 1.1485170 0.423091E-03 -0.777268E-04 11 1.1485267 1.1485174 0.164793E-03 -0.777268E-04 12 1.1485221 1.1485172 0.414099E-04 -0.777268E-04 13 1.1485204 1.1485221 -0.298439E-05 0.414099E-04 14 1.1485205 1.1485221 -0.297717E-11 0.414099E-04 Absolute convergence of |F(X)|. Difference in EF= 0.0000399374 EF set to : 15.6264159931 new EF (no-mixing): 15.6264159931 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 34 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 18.5557208912787 eV Ratio to renormalize= 1.00000000007214 nargs= 1 argi=dmft2.def 65) Finished k-point number 66 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 67) Finished k-point number 68 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931372211051443 0.925042042988793 0.935150573120425 0.924382613722380 0.916788156450558 0.922803828155415 0.933842171241586 67) Finished k-point number 68 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6264159930541 Density= 19.9996216579855 20.0000000000000 EF 15.8985298251677 Density= 20.5344963383060 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1685205 1.1485205 0.534496 -0.378342E-03 1 1.1585205 1.1485210 0.268295 -0.378342E-03 2 1.1535207 1.1485212 0.132676 -0.378342E-03 3 1.1510210 1.1485206 0.659768E-01 -0.378342E-03 4 1.1497708 1.1485214 0.327588E-01 -0.378342E-03 5 1.1491461 1.1485205 0.161932E-01 -0.378342E-03 6 1.1488333 1.1485205 0.790602E-02 -0.378342E-03 7 1.1486769 1.1485205 0.376334E-02 -0.378342E-03 8 1.1485987 1.1485205 0.169266E-02 -0.378342E-03 9 1.1485596 1.1485205 0.657244E-03 -0.378342E-03 10 1.1485401 1.1485205 0.139634E-03 -0.378342E-03 11 1.1485348 1.1485205 0.445837E-07 -0.378342E-03 12 1.1485348 1.1485205 0.965272E-11 -0.378342E-03 Absolute convergence of |F(X)|. Difference in EF= 0.0001944184 EF set to : 15.6266104114 new EF (no-mixing): 15.6266104114 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 34 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 18.5582337699439 eV Ratio to renormalize= 1.00000000007161 nargs= 1 argi=dmft2.def 65) Finished k-point number 66 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 67) Finished k-point number 68 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931384368727112 0.925039020122736 0.935198365299169 0.924382493126186 0.916775869696435 0.922806658104871 0.933794263796167 63) Finished k-point number 64 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6266104114166 Density= 19.9480657947819 20.0000000000000 EF 15.8987242435302 Density= 20.4743817656113 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1685348 1.1485348 0.474382 -0.519342E-01 1 1.1585348 1.1485353 0.208455 -0.519342E-01 2 1.1535350 1.1485355 0.755116E-01 -0.519342E-01 3 1.1510353 1.1485349 0.113970E-01 -0.519342E-01 4 1.1505875 1.1485349 0.979184E-05 -0.519342E-01 5 1.1505872 1.1485349 0.176000E-08 -0.519342E-01 6 1.1505872 1.1505872 -0.780620E-09 0.176000E-08 Relative convergence of the X interval. Difference in EF= 0.0279240631 EF set to : 15.6545344745 new EF (no-mixing): 15.6545344745 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 Sum of eigenvalues= 18.5976735700527 eV Ratio to renormalize= 1.00000000088967 nargs= 1 argi=dmft2.def 61) Finished k-point number 62 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 67) Finished k-point number 68 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931363341801157 0.924936283258763 0.935207704232826 0.924382271002528 0.916796404545064 0.922908918894907 0.933784517834146 0) Finished k-point number 1 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6545344744743 Density= 19.9999101153776 20.0000000000000 EF 15.9266483065879 Density= 20.5248446590556 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1705872 1.1505872 0.524845 -0.898846E-04 1 1.1605872 1.1505877 0.266869 -0.898846E-04 2 1.1555874 1.1505879 0.128935 -0.898846E-04 3 1.1530877 1.1505873 0.638823E-01 -0.898847E-04 4 1.1518375 1.1505871 0.317819E-01 -0.898846E-04 5 1.1512123 1.1505872 0.158189E-01 -0.898846E-04 6 1.1508998 1.1505876 0.785883E-02 -0.898846E-04 7 1.1507437 1.1505879 0.388899E-02 -0.898847E-04 8 1.1506658 1.1505873 0.190852E-02 -0.898847E-04 9 1.1506265 1.1505876 0.910850E-03 -0.898847E-04 10 1.1506071 1.1505874 0.415943E-03 -0.898846E-04 11 1.1505973 1.1505880 0.166577E-03 -0.898846E-04 12 1.1505926 1.1505877 0.489210E-04 -0.898846E-04 13 1.1505908 1.1505877 0.221117E-05 -0.898846E-04 14 1.1505907 1.1505877 0.119567E-06 -0.898846E-04 15 1.1505907 1.1505877 0.450683E-09 -0.898846E-04 16 1.1505907 1.1505907 -0.209033E-08 0.450683E-09 Relative convergence of the X interval. Difference in EF= 0.0000481288 EF set to : 15.6545826033 new EF (no-mixing): 15.6545826033 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 18.5978395889065 eV Ratio to renormalize= 1.00000000079642 nargs= 1 argi=dmft2.def 62) Finished k-point number 63 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931372210691128 0.924959814063735 0.935245889456821 0.924356895657293 0.916743282412322 0.922842214047607 0.933701311349879 62) Finished k-point number 63 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6545826033102 Density= 19.9974891498265 20.0000000000000 EF 15.9266964354238 Density= 20.5224918996876 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1705907 1.1505907 0.522492 -0.251085E-02 1 1.1605907 1.1505902 0.264504 -0.251085E-02 2 1.1555905 1.1505905 0.126459 -0.251085E-02 3 1.1530905 1.1505904 0.614120E-01 -0.251085E-02 4 1.1518404 1.1505909 0.293292E-01 -0.251085E-02 5 1.1512157 1.1505901 0.133851E-01 -0.251085E-02 6 1.1509029 1.1505900 0.542384E-02 -0.251085E-02 7 1.1507465 1.1505901 0.144662E-02 -0.251085E-02 8 1.1506894 1.1507465 -0.368805E-05 0.144662E-02 9 1.1506895 1.1507465 -0.507345E-09 0.144662E-02 10 1.1506895 1.1506895 0.203348E-08 -0.507345E-09 Relative convergence of the X interval. Difference in EF= 0.0013448324 EF set to : 15.6559274357 new EF (no-mixing): 15.6559274357 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 18.6030773211450 eV Ratio to renormalize= 1.00000000092207 nargs= 1 argi=dmft2.def 65) Finished k-point number 66 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 67) Finished k-point number 68 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931521107619847 0.925280528878312 0.935381669820030 0.924540825547418 0.916962834549709 0.922892358451079 0.933881561289383 51) Finished k-point number 52 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6559274357386 Density= 20.0209810535501 20.0000000000000 EF 15.3838136036250 Density= 19.5431002494249 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1506895 1.1306895 0.209811E-01 -0.456900 1 1.1498115 1.1506895 -0.141633E-02 0.209811E-01 2 1.1498670 1.1506895 -0.241772E-05 0.209811E-01 3 1.1498671 1.1506895 -0.175433E-10 0.209811E-01 Absolute convergence of |F(X)|. Difference in EF= -0.0111902111 EF set to : 15.6447372247 new EF (no-mixing): 15.6447372247 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 18.4887232141854 eV Ratio to renormalize= 1.00000000082896 nargs= 1 argi=dmft2.def 65) Finished k-point number 66 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 67) Finished k-point number 68 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931551324454846 0.925267991263857 0.935259309550003 0.924570420907887 0.916990189815740 0.922963403994550 0.934058541168210 60) Finished k-point number 61 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 67) Finished k-point number 68 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6447372246662 Density= 20.0033548131724 20.0000000000000 EF 15.3726233925527 Density= 19.5289723537051 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1498671 1.1298671 0.335481E-02 -0.471028 1 1.1497256 1.1498671 -0.248608E-03 0.335481E-02 2 1.1497354 1.1498671 -0.610036E-07 0.335481E-02 3 1.1497354 1.1498671 -0.142109E-13 0.335481E-02 Absolute convergence of |F(X)|. Difference in EF= -0.0017915779 EF set to : 15.6429456467 new EF (no-mixing): 15.6429456467 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 18.4908241140572 eV Ratio to renormalize= 1.00000000082734 nargs= 1 argi=dmft2.def 63) Finished k-point number 64 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 67) Finished k-point number 68 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931536249180182 0.925195437956183 0.935303207511958 0.924574299899311 0.917014626721526 0.923045734218477 0.934022652913355 68) Finished k-point number 69 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 48) Finished k-point number 49 1 with #bands= 32 EF 15.6429456467466 Density= 20.0007550551325 20.0000000000000 EF 15.3708318146330 Density= 19.5268511822881 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1497354 1.1297354 0.755055E-03 -0.473149 1 1.1497035 1.1497354 -0.564987E-04 0.755055E-03 2 1.1497058 1.1497354 -0.310867E-08 0.755055E-03 3 1.1497058 1.1497058 0.106581E-13 -0.310867E-08 Absolute convergence of |F(X)|. Difference in EF= -0.0004033653 EF set to : 15.6425422814 new EF (no-mixing): 15.6425422814 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 Sum of eigenvalues= 18.4912481436414 eV Ratio to renormalize= 1.00000000084333 nargs= 1 argi=dmft2.def 61) Finished k-point number 62 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931582100390553 0.925232128409980 0.935341725432888 0.924579773187830 0.916981997864980 0.923022315493961 0.933994678050536 64) Finished k-point number 65 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6425422814223 Density= 20.0010957771939 20.0000000000000 EF 15.3704284493087 Density= 19.5272034209012 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1497058 1.1297058 0.109578E-02 -0.472797 1 1.1496595 1.1497058 -0.817200E-04 0.109578E-02 2 1.1496627 1.1497058 -0.655389E-08 0.109578E-02 3 1.1496627 1.1496627 0.710543E-14 -0.655389E-08 Absolute convergence of |F(X)|. Difference in EF= -0.0005855351 EF set to : 15.6419567463 new EF (no-mixing): 15.6419567463 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 Sum of eigenvalues= 18.4873278496160 eV Ratio to renormalize= 1.00000000088011 nargs= 1 argi=dmft2.def 62) Finished k-point number 63 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931550680920912 0.925192279249235 0.935316699397869 0.924573650179860 0.917002042708848 0.923050528192478 0.934008903481111 53) Finished k-point number 54 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 67) Finished k-point number 68 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 48) Finished k-point number 49 1 with #bands= 32 EF 15.6419567462962 Density= 19.9995562164285 20.0000000000000 EF 15.9140705784098 Density= 20.5243843885921 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1696627 1.1496627 0.524384 -0.443784E-03 1 1.1596627 1.1496623 0.263635 -0.443784E-03 2 1.1546625 1.1496625 0.128394 -0.443783E-03 3 1.1521625 1.1496624 0.635522E-01 -0.443783E-03 4 1.1509124 1.1496629 0.314553E-01 -0.443783E-03 5 1.1502877 1.1496622 0.154868E-01 -0.443783E-03 6 1.1499749 1.1496621 0.750945E-02 -0.443783E-03 7 1.1498185 1.1496621 0.352325E-02 -0.443783E-03 8 1.1497403 1.1496621 0.153173E-02 -0.443783E-03 9 1.1497012 1.1496621 0.535852E-03 -0.443784E-03 10 1.1496816 1.1496621 0.381365E-04 -0.443783E-03 11 1.1496801 1.1496816 -0.695223E-06 0.381365E-04 12 1.1496801 1.1496816 -0.192912E-11 0.381365E-04 Absolute convergence of |F(X)|. Difference in EF= 0.0002371505 EF set to : 15.6421938968 new EF (no-mixing): 15.6421938968 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 18.4873746444369 eV Ratio to renormalize= 1.00000000083273 nargs= 1 argi=dmft2.def 62) Finished k-point number 63 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931558239681261 0.925271473187340 0.935320616884314 0.924567724432675 0.916983717461777 0.922960523132899 0.933994853285709 61) Finished k-point number 62 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6421938967532 Density= 19.9627907088066 20.0000000000000 EF 15.9143077288668 Density= 20.4931547378685 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1696801 1.1496801 0.493155 -0.372093E-01 1 1.1596801 1.1496806 0.229094 -0.372093E-01 2 1.1546804 1.1496809 0.920926E-01 -0.372093E-01 3 1.1521806 1.1496803 0.268969E-01 -0.372093E-01 4 1.1511366 1.1496803 0.185109E-04 -0.372093E-01 5 1.1511359 1.1496803 0.582493E-08 -0.372093E-01 6 1.1511359 1.1496803 0.00000 -0.372093E-01 Absolute convergence of |F(X)|. Difference in EF= 0.0198063675 EF set to : 15.6620002642 new EF (no-mixing): 15.6620002642 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 18.4982913008984 eV Ratio to renormalize= 1.00000000036439 nargs= 1 argi=dmft2.def 62) Finished k-point number 63 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931568974647484 0.925142570992455 0.935146752650677 0.924572878629496 0.916983174036595 0.923099741913582 0.934177718468339 50) Finished k-point number 51 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6620002642209 Density= 20.0004135313875 20.0000000000000 EF 15.3898864321074 Density= 19.5235015707195 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1511359 1.1311359 0.413531E-03 -0.476498 1 1.1511185 1.1511359 -0.315559E-04 0.413531E-03 2 1.1511198 1.1511359 -0.150556E-08 0.413531E-03 3 1.1511198 1.1511198 0.106085E-08 -0.150556E-08 Relative convergence of the X interval. Difference in EF= -0.0002192206 EF set to : 15.6617810436 new EF (no-mixing): 15.6617810436 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 Sum of eigenvalues= 18.4962813542682 eV Ratio to renormalize= 1.00000000037720 nargs= 1 argi=dmft2.def 67) Finished k-point number 68 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931727676018593 0.925241815764065 0.935304218580786 0.924674542848480 0.917029076614512 0.923207218772251 0.934196357251144 61) Finished k-point number 62 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6617810435814 Density= 20.0113023372228 20.0000000000000 EF 15.3896672114678 Density= 19.5322459214507 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1511198 1.1311198 0.113023E-01 -0.467754 1 1.1506479 1.1511198 -0.830419E-03 0.113023E-01 2 1.1506802 1.1511198 -0.101100E-05 0.113023E-01 3 1.1506803 1.1511198 -0.239098E-11 0.113023E-01 Absolute convergence of |F(X)|. Difference in EF= -0.0059800129 EF set to : 15.6558010307 new EF (no-mixing): 15.6558010307 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 Sum of eigenvalues= 18.4415980020666 eV Ratio to renormalize= 1.00000000033661 nargs= 1 argi=dmft2.def 65) Finished k-point number 66 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931580847949848 0.925337494778719 0.935337727771402 0.924673525528073 0.917168926923373 0.923105192509560 0.934146019244114 61) Finished k-point number 62 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6558010306536 Density= 20.0022457468685 20.0000000000000 EF 15.3836871985400 Density= 19.5250627043504 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1506803 1.1306803 0.224575E-02 -0.474937 1 1.1505861 1.1506803 -0.172038E-03 0.224575E-02 2 1.1505928 1.1506803 -0.400258E-07 0.224575E-02 3 1.1505928 1.1506803 0.00000 0.224575E-02 Absolute convergence of |F(X)|. Difference in EF= -0.0011894927 EF set to : 15.6546115380 new EF (no-mixing): 15.6546115380 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 Sum of eigenvalues= 18.4241394644920 eV Ratio to renormalize= 1.00000000034364 nargs= 1 argi=dmft2.def 62) Finished k-point number 63 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 67) Finished k-point number 68 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931679623458092 0.925357665172562 0.935425826517898 0.924716761185682 0.917161512307961 0.923176588898538 0.934132232704706 62) Finished k-point number 63 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6546115379864 Density= 20.0060160892699 20.0000000000000 EF 15.3824977058728 Density= 19.5280732654637 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1505928 1.1305928 0.601609E-02 -0.471927 1 1.1503411 1.1505928 -0.455341E-03 0.601609E-02 2 1.1503588 1.1505928 -0.276381E-06 0.601609E-02 3 1.1503588 1.1505928 -0.198952E-12 0.601609E-02 Absolute convergence of |F(X)|. Difference in EF= -0.0031840727 EF set to : 15.6514274653 new EF (no-mixing): 15.6514274653 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 Sum of eigenvalues= 18.3805261148418 eV Ratio to renormalize= 1.00000000041349 nargs= 1 argi=dmft2.def 61) Finished k-point number 62 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931686152972247 0.925373600904377 0.935377905424223 0.924704241049033 0.917128085734975 0.923133804574222 0.934158892384291 63) Finished k-point number 64 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6514274652632 Density= 19.9984234841247 20.0000000000000 EF 15.9235412973768 Density= 20.5275431161483 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1703588 1.1503588 0.527543 -0.157652E-02 1 1.1603588 1.1503583 0.267317 -0.157652E-02 2 1.1553586 1.1503586 0.128861 -0.157652E-02 3 1.1528586 1.1503585 0.630934E-01 -0.157652E-02 4 1.1516085 1.1503590 0.306295E-01 -0.157652E-02 5 1.1509838 1.1503582 0.145001E-01 -0.157652E-02 6 1.1506710 1.1503591 0.644781E-02 -0.157652E-02 7 1.1505151 1.1503592 0.243779E-02 -0.157652E-02 8 1.1504371 1.1503586 0.434694E-03 -0.157652E-02 9 1.1504201 1.1504371 -0.162445E-05 0.434694E-03 10 1.1504202 1.1504371 -0.714415E-10 0.434694E-03 Absolute convergence of |F(X)|. Difference in EF= 0.0008350813 EF set to : 15.6522625466 new EF (no-mixing): 15.6522625466 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 Sum of eigenvalues= 18.3938205366553 eV Ratio to renormalize= 1.00000000036342 nargs= 1 argi=dmft2.def 60) Finished k-point number 61 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 67) Finished k-point number 68 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931712059342806 0.925310150953875 0.935368161730672 0.924701929756693 0.917096880991088 0.923191947422003 0.934164689411373 63) Finished k-point number 64 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6522625465643 Density= 19.9656957055404 20.0000000000000 EF 15.9243763786779 Density= 20.4836785139912 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1704202 1.1504202 0.483679 -0.343043E-01 1 1.1604202 1.1504197 0.227016 -0.343043E-01 2 1.1554200 1.1504200 0.909998E-01 -0.343043E-01 3 1.1529200 1.1504198 0.276854E-01 -0.343043E-01 4 1.1518098 1.1504198 0.350132E-04 -0.343043E-01 5 1.1518084 1.1504198 0.120651E-07 -0.343043E-01 6 1.1518084 1.1504198 0.355271E-14 -0.343043E-01 Absolute convergence of |F(X)|. Difference in EF= 0.0188870278 EF set to : 15.6711495743 new EF (no-mixing): 15.6711495743 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 18.3970753845303 eV Ratio to renormalize= 1.00000000064412 nargs= 1 argi=dmft2.def 63) Finished k-point number 64 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 67) Finished k-point number 68 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931653165717630 0.925373726466175 0.935376758279576 0.924708383333288 0.917169006271917 0.923141820742721 0.934167518709555 62) Finished k-point number 63 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6711495743388 Density= 20.0007735135514 20.0000000000000 EF 15.3990357422252 Density= 19.5328505917524 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1518084 1.1318084 0.773514E-03 -0.467149 1 1.1517753 1.1518084 -0.467857E-04 0.773514E-03 2 1.1517772 1.1518084 -0.468797E-08 0.773514E-03 3 1.1517772 1.1518084 0.00000 0.773514E-03 Absolute convergence of |F(X)|. Difference in EF= -0.0004241673 EF set to : 15.6707254070 new EF (no-mixing): 15.6707254070 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 Sum of eigenvalues= 18.3940080018134 eV Ratio to renormalize= 1.00000000064394 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931741650962361 0.925462038477401 0.935460780178343 0.924840910882843 0.917351419487105 0.923328735304776 0.934316840224441 62) Finished k-point number 63 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6707254070163 Density= 20.0153754053840 20.0000000000000 EF 15.3986115749028 Density= 19.5449616883180 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1517772 1.1317772 0.153754E-01 -0.455038 1 1.1511235 1.1517772 -0.878335E-03 0.153754E-01 2 1.1511588 1.1517772 -0.161372E-05 0.153754E-01 3 1.1511589 1.1517772 -0.982325E-11 0.153754E-01 Absolute convergence of |F(X)|. Difference in EF= -0.0084124948 EF set to : 15.6623129122 new EF (no-mixing): 15.6623129122 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 18.3290538686390 eV Ratio to renormalize= 1.00000000064175 nargs= 1 argi=dmft2.def 61) Finished k-point number 62 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931796590521366 0.925507454550478 0.935589720546939 0.924840997651846 0.917296677180892 0.923283300710107 0.934187610447091 62) Finished k-point number 63 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6623129122029 Density= 20.0002284012421 20.0000000000000 EF 15.3901990800893 Density= 19.5324265648864 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1511589 1.1311589 0.228401E-03 -0.467573 1 1.1511491 1.1511589 -0.140287E-04 0.228401E-03 2 1.1511497 1.1511589 -0.367145E-09 0.228401E-03 3 1.1511497 1.1511497 0.211547E-08 -0.367145E-09 Relative convergence of the X interval. Difference in EF= -0.0001251698 EF set to : 15.6621877424 new EF (no-mixing): 15.6621877424 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 Sum of eigenvalues= 18.3260951702123 eV Ratio to renormalize= 1.00000000065939 nargs= 1 argi=dmft2.def 67) Finished k-point number 68 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931762449397346 0.925390025129811 0.935602974940875 0.924857404642455 0.917363900922840 0.923432880680834 0.934200460820635 67) Finished k-point number 68 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6621877424454 Density= 20.0018241392574 20.0000000000000 EF 15.3900739103318 Density= 19.5338287213824 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1511497 1.1311497 0.182414E-02 -0.466171 1 1.1510717 1.1511497 -0.111916E-03 0.182414E-02 2 1.1510762 1.1511497 -0.232309E-07 0.182414E-02 3 1.1510762 1.1511497 0.00000 0.182414E-02 Absolute convergence of |F(X)|. Difference in EF= -0.0009993134 EF set to : 15.6611884291 new EF (no-mixing): 15.6611884291 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 18.2992540195059 eV Ratio to renormalize= 1.00000000064090 nargs= 1 argi=dmft2.def 27) Finished k-point number 28 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 67) Finished k-point number 68 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931822902161866 0.925533275426591 0.935514944461235 0.924854388391834 0.917296674632297 0.923282476423017 0.934282586415905 6) Finished k-point number 7 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 67) Finished k-point number 68 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6611884290587 Density= 19.9866002204229 20.0000000000000 EF 15.9333022611723 Density= 20.5256359161142 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1710762 1.1510762 0.525636 -0.133998E-01 1 1.1610762 1.1510758 0.262170 -0.133998E-01 2 1.1560760 1.1510760 0.119786 -0.133998E-01 3 1.1535760 1.1510759 0.525175E-01 -0.133998E-01 4 1.1523259 1.1510755 0.194033E-01 -0.133998E-01 5 1.1517007 1.1510757 0.295598E-02 -0.133998E-01 6 1.1515880 1.1517007 -0.103144E-05 0.295598E-02 7 1.1515880 1.1517007 -0.402792E-09 0.295598E-02 8 1.1515880 1.1515880 0.221987E-08 -0.402792E-09 Relative convergence of the X interval. Difference in EF= 0.0069635245 EF set to : 15.6681519535 new EF (no-mixing): 15.6681519535 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 18.3124006537556 eV Ratio to renormalize= 1.00000000030914 nargs= 1 argi=dmft2.def 11) Finished k-point number 12 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 67) Finished k-point number 68 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931804026391128 0.925552473994182 0.935478567961548 0.924860192456867 0.917327662443221 0.923275614833018 0.934329256721355 12) Finished k-point number 13 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 48) Finished k-point number 49 1 with #bands= 32 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6681519535171 Density= 20.0006630922562 20.0000000000000 EF 15.3960381214035 Density= 19.5165818846757 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1515880 1.1315880 0.663092E-03 -0.483418 1 1.1515606 1.1515880 -0.554853E-04 0.663092E-03 2 1.1515628 1.1515880 -0.484236E-08 0.663092E-03 3 1.1515628 1.1515880 -0.710543E-14 0.663092E-03 Absolute convergence of |F(X)|. Difference in EF= -0.0003439565 EF set to : 15.6678079970 new EF (no-mixing): 15.6678079970 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 18.3101205555255 eV Ratio to renormalize= 1.00000000042242 nargs= 1 argi=dmft2.def 51) Finished k-point number 52 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931835830790122 0.925479441938367 0.935609883000079 0.924862603190583 0.917303521956437 0.923355553511771 0.934200345215221 62) Finished k-point number 63 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6678079970383 Density= 20.0004936701404 20.0000000000000 EF 15.3956941649247 Density= 19.5164416630957 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1515628 1.1315628 0.493670E-03 -0.483558 1 1.1515424 1.1515628 -0.413225E-04 0.493670E-03 2 1.1515439 1.1515628 -0.267758E-08 0.493670E-03 3 1.1515439 1.1515439 0.355271E-14 -0.267758E-08 Relative convergence of the X interval. Difference in EF= -0.0002560838 EF set to : 15.6675519132 new EF (no-mixing): 15.6675519132 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 18.2971964060247 eV Ratio to renormalize= 1.00000000028900 nargs= 1 argi=dmft2.def 57) Finished k-point number 58 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931821353028363 0.925576788135033 0.935545491718660 0.924874723941182 0.917347352361289 0.923288584215123 0.934286805472158 22) Finished k-point number 23 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6675519132121 Density= 20.0016410857080 20.0000000000000 EF 15.3954380810985 Density= 19.5174172849643 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1515439 1.1315439 0.164109E-02 -0.482583 1 1.1514761 1.1515439 -0.136786E-03 0.164109E-02 2 1.1514814 1.1515439 -0.292420E-07 0.164109E-02 3 1.1514814 1.1515439 0.00000 0.164109E-02 Absolute convergence of |F(X)|. Difference in EF= -0.0008512535 EF set to : 15.6667006597 new EF (no-mixing): 15.6667006597 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 41 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 18.2959429772904 eV Ratio to renormalize= 1.00000000049461 nargs= 1 argi=dmft2.def 67) Finished k-point number 68 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931819907383030 0.925576901884525 0.935644078158786 0.924899203076534 0.917406846001892 0.923347495614247 0.934230996041827 63) Finished k-point number 64 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6667006596959 Density= 20.0035939262021 20.0000000000000 EF 15.3945868275824 Density= 19.5188413495377 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1514814 1.1314814 0.359393E-02 -0.481159 1 1.1513331 1.1514814 -0.296842E-03 0.359393E-02 2 1.1513444 1.1514814 -0.136185E-06 0.359393E-02 3 1.1513444 1.1514814 -0.142109E-13 0.359393E-02 Absolute convergence of |F(X)|. Difference in EF= -0.0018634468 EF set to : 15.6648372129 new EF (no-mixing): 15.6648372129 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 Sum of eigenvalues= 18.2825122939133 eV Ratio to renormalize= 1.00000000028839 nargs= 1 argi=dmft2.def 67) Finished k-point number 68 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931803356847630 0.925515289828521 0.935625532328315 0.924898815721668 0.917422372913908 0.923408064200252 0.934248853149302 60) Finished k-point number 61 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6648372129264 Density= 19.9731236703903 20.0000000000000 EF 15.9369510450399 Density= 20.4951025305440 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1713444 1.1513444 0.495103 -0.268763E-01 1 1.1613444 1.1513449 0.240261 -0.268763E-01 2 1.1563446 1.1513451 0.101014 -0.268763E-01 3 1.1538449 1.1513445 0.362469E-01 -0.268763E-01 4 1.1525947 1.1513444 0.451608E-02 -0.268763E-01 5 1.1524157 1.1513444 0.927195E-06 -0.268763E-01 6 1.1524156 1.1513444 0.307168E-10 -0.268763E-01 Absolute convergence of |F(X)|. Difference in EF= 0.0145746158 EF set to : 15.6794118287 new EF (no-mixing): 15.6794118287 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 18.2709251434943 eV Ratio to renormalize= 1.00000000062835 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931847919944182 0.925551962876692 0.935582511379829 0.924899412779405 0.917379052889950 0.923372627503190 0.934292905773728 62) Finished k-point number 63 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 48) Finished k-point number 49 1 with #bands= 32 EF 15.6794118287258 Density= 20.0000411817812 20.0000000000000 EF 15.4072979966122 Density= 19.5288384337112 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1524156 1.1324156 0.411818E-04 -0.471162 1 1.1524139 1.1524156 -0.285096E-05 0.411818E-04 2 1.1524140 1.1524156 -0.197566E-10 0.411818E-04 Absolute convergence of |F(X)|. Difference in EF= -0.0000222422 EF set to : 15.6793895865 new EF (no-mixing): 15.6793895865 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 18.2704809425247 eV Ratio to renormalize= 1.00000000063088 nargs= 1 argi=dmft2.def 61) Finished k-point number 62 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931835039867512 0.925463816039637 0.935555924492399 0.924936466743434 0.917459967557253 0.923529441361324 0.934384076767933 0) Finished k-point number 1 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6793895865480 Density= 20.0039805488493 20.0000000000000 EF 15.4072757544344 Density= 19.5320019798768 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1524140 1.1324140 0.398055E-02 -0.467998 1 1.1522453 1.1524140 -0.272189E-03 0.398055E-02 2 1.1522561 1.1524140 -0.178066E-06 0.398055E-02 3 1.1522561 1.1524140 -0.532907E-13 0.398055E-02 Absolute convergence of |F(X)|. Difference in EF= -0.0021479603 EF set to : 15.6772416263 new EF (no-mixing): 15.6772416263 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 18.2480126964767 eV Ratio to renormalize= 1.00000000062984 nargs= 1 argi=dmft2.def 61) Finished k-point number 62 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931948503159269 0.925624124134168 0.935662110730162 0.925025371676788 0.917524772911042 0.923549051690541 0.934432023805264 60) Finished k-point number 61 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6772416262793 Density= 20.0105811292180 20.0000000000000 EF 15.4051277941657 Density= 19.5372780495164 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1522561 1.1322561 0.105811E-01 -0.462722 1 1.1518090 1.1522561 -0.707509E-03 0.105811E-01 2 1.1518370 1.1522561 -0.115957E-05 0.105811E-01 3 1.1518371 1.1522561 -0.218137E-11 0.105811E-01 Absolute convergence of |F(X)|. Difference in EF= -0.0057014603 EF set to : 15.6715401660 new EF (no-mixing): 15.6715401660 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 18.1893435423662 eV Ratio to renormalize= 1.00000000062777 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 67) Finished k-point number 68 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931995478581018 0.925671521095663 0.935667940150325 0.925029588758346 0.917489035008780 0.923513015045060 0.934433474832561 63) Finished k-point number 64 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 67) Finished k-point number 68 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6715401659665 Density= 19.9898477250137 20.0000000000000 EF 15.9436539980801 Density= 20.5015422684917 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1718371 1.1518371 0.501542 -0.101523E-01 1 1.1618371 1.1518366 0.252636 -0.101523E-01 2 1.1568368 1.1518368 0.114088 -0.101523E-01 3 1.1543368 1.1518367 0.509376E-01 -0.101523E-01 4 1.1530868 1.1518373 0.202071E-01 -0.101523E-01 5 1.1524620 1.1518365 0.499232E-02 -0.101523E-01 6 1.1522561 1.1524620 -0.421307E-05 0.499232E-02 7 1.1522563 1.1524620 -0.326161E-08 0.499232E-02 8 1.1522563 1.1524620 -0.106581E-13 0.499232E-02 Absolute convergence of |F(X)|. Difference in EF= 0.0057041818 EF set to : 15.6772443478 new EF (no-mixing): 15.6772443478 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 18.2063090554529 eV Ratio to renormalize= 1.00000000029683 nargs= 1 argi=dmft2.def 59) Finished k-point number 60 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931968044993866 0.925602746206523 0.935798857362631 0.925033430583319 0.917522921754037 0.923588359642267 0.934309382936848 60) Finished k-point number 61 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6772443477586 Density= 20.0005349203611 20.0000000000000 EF 15.4051305156450 Density= 19.5406068050880 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1522563 1.1322563 0.534920E-03 -0.459393 1 1.1522330 1.1522563 -0.293856E-04 0.534920E-03 2 1.1522343 1.1522563 -0.240136E-08 0.534920E-03 3 1.1522343 1.1522343 0.244071E-10 -0.240136E-08 Relative convergence of the X interval. Difference in EF= -0.0003000008 EF set to : 15.6769443470 new EF (no-mixing): 15.6769443470 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 Sum of eigenvalues= 18.2048111092400 eV Ratio to renormalize= 1.00000000029686 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 67) Finished k-point number 68 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931970081150037 0.925744227254613 0.935638599002252 0.925057740883674 0.917567395603845 0.923494228997306 0.934512788809932 0) Finished k-point number 1 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6769443470044 Density= 20.0023171470251 20.0000000000000 EF 15.4048305148909 Density= 19.5421699237448 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1522343 1.1322343 0.231715E-02 -0.457830 1 1.1521335 1.1522343 -0.125735E-03 0.231715E-02 2 1.1521387 1.1522343 -0.437157E-07 0.231715E-02 3 1.1521387 1.1522343 -0.355271E-14 0.231715E-02 Absolute convergence of |F(X)|. Difference in EF= -0.0012997216 EF set to : 15.6756446254 new EF (no-mixing): 15.6756446254 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 18.1968493246217 eV Ratio to renormalize= 1.00000000030976 nargs= 1 argi=dmft2.def 62) Finished k-point number 63 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.932025178725126 0.925756842634921 0.935723925896258 0.925051022853292 0.917499134715755 0.923468175814942 0.934415573057275 63) Finished k-point number 64 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6756446254103 Density= 20.0081590901924 20.0000000000000 EF 15.4035307932968 Density= 19.5353318668471 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1521387 1.1321387 0.815909E-02 -0.464668 1 1.1517936 1.1521387 -0.576906E-03 0.815909E-02 2 1.1518164 1.1521387 -0.648838E-06 0.815909E-02 3 1.1518164 1.1521387 -0.856204E-12 0.815909E-02 Absolute convergence of |F(X)|. Difference in EF= -0.0043851517 EF set to : 15.6712594737 new EF (no-mixing): 15.6712594737 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 18.2039979794491 eV Ratio to renormalize= 0.999999999788261 nargs= 1 argi=dmft2.def 67) Finished k-point number 68 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931976460862485 0.925716604895217 0.935719047101190 0.925043932118204 0.917533548735446 0.923493908174897 0.934407997894954 64) Finished k-point number 65 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6712594737360 Density= 19.9992602006644 20.0000000000000 EF 15.9433733058495 Density= 20.5252783304014 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1718164 1.1518164 0.525278 -0.739799E-03 1 1.1618164 1.1518169 0.268634 -0.739799E-03 2 1.1568167 1.1518172 0.128555 -0.739799E-03 3 1.1543169 1.1518166 0.630837E-01 -0.739799E-03 4 1.1530667 1.1518164 0.310083E-01 -0.739799E-03 5 1.1524416 1.1518165 0.150960E-01 -0.739799E-03 6 1.1521290 1.1518169 0.716970E-02 -0.739799E-03 7 1.1519730 1.1518172 0.321877E-02 -0.739799E-03 8 1.1518951 1.1518166 0.124824E-02 -0.739799E-03 9 1.1518558 1.1518169 0.255701E-03 -0.739799E-03 10 1.1518458 1.1518169 0.249548E-05 -0.739799E-03 11 1.1518457 1.1518169 0.942051E-08 -0.739799E-03 12 1.1518457 1.1518169 0.465405E-12 -0.739799E-03 Absolute convergence of |F(X)|. Difference in EF= 0.0003981876 EF set to : 15.6716576613 new EF (no-mixing): 15.6716576613 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 Sum of eigenvalues= 18.2076286583676 eV Ratio to renormalize= 0.999999999690632 nargs= 1 argi=dmft2.def 63) Finished k-point number 64 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 67) Finished k-point number 68 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931926579794923 0.925515145821666 0.935623087672442 0.925022856277427 0.917541310833568 0.923652751004994 0.934467077924675 63) Finished k-point number 64 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6716576613106 Density= 19.9973837662797 20.0000000000000 EF 15.9437714934241 Density= 20.5233664816326 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1718457 1.1518457 0.523366 -0.261623E-02 1 1.1618457 1.1518452 0.266767 -0.261623E-02 2 1.1568455 1.1518455 0.126650 -0.261623E-02 3 1.1543455 1.1518454 0.611668E-01 -0.261623E-02 4 1.1530954 1.1518459 0.291040E-01 -0.261623E-02 5 1.1524706 1.1518451 0.132084E-01 -0.261623E-02 6 1.1521579 1.1518450 0.528007E-02 -0.261623E-02 7 1.1520015 1.1518451 0.132140E-02 -0.261623E-02 8 1.1519491 1.1520015 -0.328588E-05 0.132140E-02 9 1.1519492 1.1520015 -0.606658E-09 0.132140E-02 10 1.1519492 1.1519492 0.192164E-08 -0.606658E-09 Relative convergence of the X interval. Difference in EF= 0.0014084003 EF set to : 15.6730660617 new EF (no-mixing): 15.6730660617 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 Sum of eigenvalues= 18.2202838314285 eV Ratio to renormalize= 0.999999999705183 nargs= 1 argi=dmft2.def 69) Finished k-point number 70 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 67) Finished k-point number 68 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931987033685009 0.925674423198393 0.935671726506085 0.925020101751882 0.917475925377471 0.923488698863431 0.934413917381250 70) Finished k-point number 71 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6730660616562 Density= 20.0026269493469 20.0000000000000 EF 15.4009522295427 Density= 19.5370838369290 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1519492 1.1319492 0.262695E-02 -0.462916 1 1.1518364 1.1519492 -0.183945E-03 0.262695E-02 2 1.1518437 1.1519492 -0.664372E-07 0.262695E-02 3 1.1518437 1.1519492 -0.106581E-13 0.262695E-02 Absolute convergence of |F(X)|. Difference in EF= -0.0014349559 EF set to : 15.6716311057 new EF (no-mixing): 15.6716311057 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 34 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 41 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 18.2196413354700 eV Ratio to renormalize= 1.00000000041436 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 67) Finished k-point number 68 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931924968201501 0.925544826232571 0.935563824941282 0.925012908876793 0.917523500173732 0.923603635318923 0.934509310335318 57) Finished k-point number 58 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6716311057266 Density= 19.9990504064419 20.0000000000000 EF 15.9437449378402 Density= 20.5194435136978 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1718437 1.1518437 0.519444 -0.949594E-03 1 1.1618437 1.1518433 0.266010 -0.949593E-03 2 1.1568435 1.1518435 0.126573 -0.949593E-03 3 1.1543435 1.1518434 0.619163E-01 -0.949593E-03 4 1.1530935 1.1518439 0.303094E-01 -0.949594E-03 5 1.1524687 1.1518432 0.146446E-01 -0.949594E-03 6 1.1521559 1.1518431 0.683174E-02 -0.949594E-03 7 1.1519995 1.1518431 0.293073E-02 -0.949593E-03 8 1.1519213 1.1518431 0.982500E-03 -0.949593E-03 9 1.1518822 1.1518431 0.845385E-05 -0.949594E-03 10 1.1518819 1.1518822 -0.677766E-07 0.845385E-05 11 1.1518819 1.1518822 -0.781597E-13 0.845385E-05 Absolute convergence of |F(X)|. Difference in EF= 0.0005188617 EF set to : 15.6721499674 new EF (no-mixing): 15.6721499674 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 34 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 41 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 Sum of eigenvalues= 18.2242056251908 eV Ratio to renormalize= 1.00000000044963 nargs= 1 argi=dmft2.def 51) Finished k-point number 52 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 67) Finished k-point number 68 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931974218657290 0.925695363615368 0.935695759782580 0.924999868782729 0.917447224541826 0.923425834312853 0.934354796800282 22) Finished k-point number 23 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6721499674266 Density= 19.9987693839773 20.0000000000000 EF 15.9442637995402 Density= 20.5191475055490 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1718819 1.1518819 0.519148 -0.123062E-02 1 1.1618819 1.1518814 0.265833 -0.123062E-02 2 1.1568817 1.1518817 0.126350 -0.123062E-02 3 1.1543817 1.1518815 0.616556E-01 -0.123062E-02 4 1.1531316 1.1518821 0.300374E-01 -0.123062E-02 5 1.1525068 1.1518813 0.143678E-01 -0.123062E-02 6 1.1521941 1.1518812 0.655280E-02 -0.123062E-02 7 1.1520376 1.1518813 0.265073E-02 -0.123062E-02 8 1.1519595 1.1518812 0.701983E-03 -0.123062E-02 9 1.1519311 1.1519595 -0.398012E-05 0.701983E-03 10 1.1519313 1.1519595 -0.389196E-09 0.701983E-03 11 1.1519313 1.1519313 0.210202E-08 -0.389196E-09 Relative convergence of the X interval. Difference in EF= 0.0006722120 EF set to : 15.6728221795 new EF (no-mixing): 15.6728221795 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 34 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 41 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 Sum of eigenvalues= 18.2332589145733 eV Ratio to renormalize= 1.00000000045456 nargs= 1 argi=dmft2.def 67) Finished k-point number 68 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931935791691854 0.925647619872443 0.935744816119036 0.924998501917509 0.917482140505492 0.923470025299679 0.934303422080488 61) Finished k-point number 62 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6728221794519 Density= 19.9988449330518 20.0000000000000 EF 15.9449360115655 Density= 20.5154570878376 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1719313 1.1519313 0.515457 -0.115507E-02 1 1.1619313 1.1519308 0.264479 -0.115507E-02 2 1.1569311 1.1519311 0.125230 -0.115507E-02 3 1.1544311 1.1519309 0.610463E-01 -0.115507E-02 4 1.1531810 1.1519315 0.297625E-01 -0.115507E-02 5 1.1525562 1.1519317 0.142684E-01 -0.115507E-02 6 1.1522440 1.1519316 0.655303E-02 -0.115507E-02 7 1.1520878 1.1519312 0.270059E-02 -0.115507E-02 8 1.1520095 1.1519314 0.770674E-03 -0.115507E-02 9 1.1519782 1.1519314 0.120084E-05 -0.115507E-02 10 1.1519782 1.1519314 0.851962E-09 -0.115507E-02 11 1.1519782 1.1519782 -0.161143E-08 0.851962E-09 Relative convergence of the X interval. Difference in EF= 0.0006380589 EF set to : 15.6734602383 new EF (no-mixing): 15.6734602383 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 18.2279640126887 eV Ratio to renormalize= 1.00000000030147 nargs= 1 argi=dmft2.def 65) Finished k-point number 66 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931946875612789 0.925534274758455 0.935675598872166 0.924998877819004 0.917471725046374 0.923584028507274 0.934373282573601 60) Finished k-point number 61 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6734602383493 Density= 20.0000910460806 20.0000000000000 EF 15.4013464062357 Density= 19.5345652109740 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1519782 1.1319782 0.910461E-04 -0.465435 1 1.1519743 1.1519782 -0.532540E-05 0.910461E-04 2 1.1519745 1.1519782 -0.645066E-10 0.910461E-04 Absolute convergence of |F(X)|. Difference in EF= -0.0000502783 EF set to : 15.6734099600 new EF (no-mixing): 15.6734099600 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 18.2274831851159 eV Ratio to renormalize= 1.00000000034738 nargs= 1 argi=dmft2.def 67) Finished k-point number 68 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931953692775961 0.925483938791910 0.935684233025707 0.925019622080323 0.917504291989743 0.923673535544961 0.934399999487377 61) Finished k-point number 62 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6734099600211 Density= 19.9885163879484 20.0000000000000 EF 15.9455237921347 Density= 20.5106146382499 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1719745 1.1519745 0.510615 -0.114836E-01 1 1.1619745 1.1519740 0.257478 -0.114836E-01 2 1.1569743 1.1519743 0.116354 -0.114836E-01 3 1.1544743 1.1519741 0.513933E-01 -0.114836E-01 4 1.1532242 1.1519747 0.197628E-01 -0.114836E-01 5 1.1525994 1.1519739 0.410247E-02 -0.114836E-01 6 1.1524351 1.1525994 -0.354255E-05 0.410247E-02 7 1.1524352 1.1525994 -0.227779E-08 0.410247E-02 8 1.1524352 1.1524352 0.218868E-09 -0.227779E-08 Relative convergence of the X interval. Difference in EF= 0.0062686737 EF set to : 15.6796786337 new EF (no-mixing): 15.6796786337 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 34 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 18.2083045383768 eV Ratio to renormalize= 1.00000000006953 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931930579054104 0.925701293423969 0.935691671149572 0.925026740154736 0.917541301237066 0.923470142549623 0.934404880542915 63) Finished k-point number 64 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 48) Finished k-point number 49 1 with #bands= 32 EF 15.6796786336852 Density= 20.0008780629337 20.0000000000000 EF 15.4075648015716 Density= 19.5325606049026 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1524352 1.1324352 0.878063E-03 -0.467439 1 1.1523977 1.1524352 -0.579546E-04 0.878063E-03 2 1.1524000 1.1524352 -0.784085E-08 0.878063E-03 3 1.1524000 1.1524352 0.00000 0.878063E-03 Absolute convergence of |F(X)|. Difference in EF= -0.0004786011 EF set to : 15.6792000326 new EF (no-mixing): 15.6792000326 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 34 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 18.2028033298488 eV Ratio to renormalize= 1.00000000019668 nargs= 1 argi=dmft2.def 6) Finished k-point number 7 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 67) Finished k-point number 68 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931954073354057 0.925670214254240 0.935648302271454 0.925035129853571 0.917535179974327 0.923518867942604 0.934463015797349 71) Finished k-point number 72 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6792000326020 Density= 20.0008772769473 20.0000000000000 EF 15.4070862004884 Density= 19.5326016577425 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1524000 1.1324001 0.877277E-03 -0.467398 1 1.1523626 1.1524000 -0.579978E-04 0.877277E-03 2 1.1523649 1.1524000 -0.773609E-08 0.877277E-03 3 1.1523649 1.1523649 0.355271E-14 -0.773609E-08 Absolute convergence of |F(X)|. Difference in EF= -0.0004781669 EF set to : 15.6787218657 new EF (no-mixing): 15.6787218657 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 34 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 Sum of eigenvalues= 18.1989801012268 eV Ratio to renormalize= 1.00000000014243 nargs= 1 argi=dmft2.def 53) Finished k-point number 54 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 67) Finished k-point number 68 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931997435164398 0.925631060518813 0.935691973251205 0.925045953314500 0.917515651111231 0.923582402286547 0.934438557045136 56) Finished k-point number 57 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6787218657314 Density= 20.0013975731572 20.0000000000000 EF 15.4066080336179 Density= 19.5329990536769 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1523649 1.1323649 0.139757E-02 -0.467001 1 1.1523052 1.1523649 -0.922797E-04 0.139757E-02 2 1.1523089 1.1523649 -0.196185E-07 0.139757E-02 3 1.1523089 1.1523649 0.00000 0.139757E-02 Absolute convergence of |F(X)|. Difference in EF= -0.0007616137 EF set to : 15.6779602521 new EF (no-mixing): 15.6779602521 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 34 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 18.1946570918622 eV Ratio to renormalize= 1.00000000017117 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.932009219538697 0.925733925593201 0.935693444512168 0.925054900475798 0.917522956891271 0.923498642296883 0.934452269810320 61) Finished k-point number 62 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6779602520502 Density= 20.0059996267794 20.0000000000000 EF 15.4058464199366 Density= 19.5341594557533 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1523089 1.1323089 0.599963E-02 -0.465841 1 1.1520546 1.1523089 -0.378759E-03 0.599963E-02 2 1.1520697 1.1523089 -0.295329E-06 0.599963E-02 3 1.1520697 1.1523089 -0.344613E-12 0.599963E-02 Absolute convergence of |F(X)|. Difference in EF= -0.0032544082 EF set to : 15.6747058438 new EF (no-mixing): 15.6747058438 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 18.2055460922529 eV Ratio to renormalize= 1.00000000062186 nargs= 1 argi=dmft2.def 63) Finished k-point number 64 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.932037719129190 0.925659758001025 0.935651870960067 0.925047495073065 0.917479733208979 0.923558031926024 0.934481177646645 6) Finished k-point number 7 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6747058438453 Density= 19.9990427480979 20.0000000000000 EF 15.9468196759589 Density= 20.5230361755539 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1720697 1.1520697 0.523036 -0.957252E-03 1 1.1620697 1.1520693 0.268472 -0.957252E-03 2 1.1570695 1.1520695 0.127565 -0.957252E-03 3 1.1545695 1.1520694 0.623111E-01 -0.957252E-03 4 1.1533194 1.1520699 0.304943E-01 -0.957252E-03 5 1.1526947 1.1520692 0.147333E-01 -0.957252E-03 6 1.1523819 1.1520700 0.687246E-02 -0.957252E-03 7 1.1522260 1.1520691 0.295926E-02 -0.957252E-03 8 1.1521476 1.1520696 0.992912E-03 -0.957252E-03 9 1.1521086 1.1520694 0.157623E-04 -0.957252E-03 10 1.1521079 1.1521086 -0.123356E-06 0.157623E-04 11 1.1521079 1.1521086 -0.259348E-12 0.157623E-04 Absolute convergence of |F(X)|. Difference in EF= 0.0005197882 EF set to : 15.6752256321 new EF (no-mixing): 15.6752256321 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 Sum of eigenvalues= 18.2117522555230 eV Ratio to renormalize= 1.00000000062280 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931971744304727 0.925764315245541 0.935641698587142 0.925043765596896 0.917539120752162 0.923447092887446 0.934485298835184 56) Finished k-point number 57 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6752256320574 Density= 19.9954143730331 20.0000000000000 EF 15.9473394641710 Density= 20.5112969958045 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1721079 1.1521079 0.511297 -0.458563E-02 1 1.1621079 1.1521075 0.261225 -0.458563E-02 2 1.1571077 1.1521077 0.121723 -0.458563E-02 3 1.1546077 1.1521076 0.575447E-01 -0.458563E-02 4 1.1533577 1.1521081 0.262936E-01 -0.458563E-02 5 1.1527329 1.1521074 0.108181E-01 -0.458563E-02 6 1.1524201 1.1521073 0.310073E-02 -0.458563E-02 7 1.1522941 1.1524201 -0.481138E-05 0.310073E-02 8 1.1522943 1.1524201 -0.212821E-08 0.310073E-02 9 1.1522943 1.1522943 0.334268E-09 -0.212821E-08 Relative convergence of the X interval. Difference in EF= 0.0025352386 EF set to : 15.6777608707 new EF (no-mixing): 15.6777608707 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 Sum of eigenvalues= 18.2011491110791 eV Ratio to renormalize= 1.00000000024589 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.932016330640357 0.925555571754564 0.935596305568271 0.925049168497183 0.917504910491634 0.923666260588260 0.934540020528752 71) Finished k-point number 72 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6777608706564 Density= 20.0004691669721 20.0000000000000 EF 15.4056470385428 Density= 19.5343944186843 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1522943 1.1322943 0.469167E-03 -0.465606 1 1.1522741 1.1522943 -0.266418E-04 0.469167E-03 2 1.1522752 1.1522943 -0.175476E-08 0.469167E-03 3 1.1522752 1.1522752 0.707789E-09 -0.175476E-08 Relative convergence of the X interval. Difference in EF= -0.0002591990 EF set to : 15.6775016716 new EF (no-mixing): 15.6775016716 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 18.1972487278291 eV Ratio to renormalize= 1.00000000022757 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.932006219124228 0.925754112118031 0.935847216530895 0.925055478153811 0.917526301680717 0.923479043293341 0.934300089255839 62) Finished k-point number 63 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6775016716126 Density= 19.9966477306918 20.0000000000000 EF 15.9496155037262 Density= 20.5224418997657 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1722752 1.1522752 0.522442 -0.335227E-02 1 1.1622752 1.1522757 0.268576 -0.335227E-02 2 1.1572755 1.1522759 0.126513 -0.335227E-02 3 1.1547757 1.1522754 0.605513E-01 -0.335227E-02 4 1.1535255 1.1522752 0.284117E-01 -0.335227E-02 5 1.1529004 1.1522753 0.124886E-01 -0.335227E-02 6 1.1525878 1.1522757 0.455945E-02 -0.335227E-02 7 1.1524318 1.1522760 0.607378E-03 -0.335227E-02 8 1.1524078 1.1522760 0.207984E-05 -0.335227E-02 9 1.1524078 1.1522760 0.177164E-08 -0.335227E-02 10 1.1524078 1.1524078 -0.758956E-09 0.177164E-08 Relative convergence of the X interval. Difference in EF= 0.0018031772 EF set to : 15.6793048488 new EF (no-mixing): 15.6793048488 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 18.1925313130980 eV Ratio to renormalize= 1.00000000022776 nargs= 1 argi=dmft2.def 57) Finished k-point number 58 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.932020831532244 0.925774059711871 0.935684808741418 0.925056558460556 0.917514010761170 0.923461455565285 0.934464352278848 65) Finished k-point number 66 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6793048488397 Density= 19.9999131281803 20.0000000000000 EF 15.9514186809533 Density= 20.5253961060901 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1724078 1.1524078 0.525396 -0.868718E-04 1 1.1624078 1.1524082 0.272033 -0.868718E-04 2 1.1574080 1.1524085 0.129942 -0.868718E-04 3 1.1549082 1.1524079 0.638640E-01 -0.868718E-04 4 1.1536581 1.1524077 0.316955E-01 -0.868718E-04 5 1.1530329 1.1524078 0.157620E-01 -0.868718E-04 6 1.1527203 1.1524082 0.782856E-02 -0.868718E-04 7 1.1525643 1.1524085 0.387456E-02 -0.868718E-04 8 1.1524864 1.1524079 0.190259E-02 -0.868718E-04 9 1.1524471 1.1524082 0.909336E-03 -0.868718E-04 10 1.1524277 1.1524080 0.416656E-03 -0.868718E-04 11 1.1524178 1.1524086 0.168421E-03 -0.868718E-04 12 1.1524132 1.1524083 0.513004E-04 -0.868718E-04 13 1.1524113 1.1524083 0.240320E-05 -0.868718E-04 14 1.1524112 1.1524083 0.140577E-06 -0.868718E-04 15 1.1524112 1.1524083 0.611717E-09 -0.868718E-04 16 1.1524112 1.1524112 -0.191770E-08 0.611717E-09 Relative convergence of the X interval. Difference in EF= 0.0000467291 EF set to : 15.6793515779 new EF (no-mixing): 15.6793515779 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 18.1918178440066 eV Ratio to renormalize= 1.00000000015950 nargs= 1 argi=dmft2.def 61) Finished k-point number 62 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.932038525570282 0.925727668172401 0.935680668689141 0.925070007702939 0.917527267988464 0.923538843443598 0.934490956703376 60) Finished k-point number 61 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 2) Finished k-point number 3 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6793515779301 Density= 20.0018295343595 20.0000000000000 EF 15.4072377458165 Density= 19.5260044809886 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1524112 1.1324112 0.182953E-02 -0.473996 1 1.1523343 1.1524112 -0.116270E-03 0.182953E-02 2 1.1523389 1.1524112 -0.296833E-07 0.182953E-02 3 1.1523389 1.1524112 0.00000 0.182953E-02 Absolute convergence of |F(X)|. Difference in EF= -0.0009837353 EF set to : 15.6783678427 new EF (no-mixing): 15.6783678427 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 18.1780340443118 eV Ratio to renormalize= 1.00000000018980 nargs= 1 argi=dmft2.def 63) Finished k-point number 64 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 67) Finished k-point number 68 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.932050669546168 0.925812756854232 0.935693722686338 0.925096056374240 0.917569478668872 0.923507771661944 0.934522964160497 66) Finished k-point number 67 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6783678426566 Density= 20.0031116808770 20.0000000000000 EF 15.4062540105430 Density= 19.5271126430426 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1523389 1.1323389 0.311168E-02 -0.472887 1 1.1522081 1.1523389 -0.196478E-03 0.311168E-02 2 1.1522159 1.1523389 -0.834922E-07 0.311168E-02 3 1.1522159 1.1523389 -0.213163E-13 0.311168E-02 Absolute convergence of |F(X)|. Difference in EF= -0.0016731568 EF set to : 15.6766946858 new EF (no-mixing): 15.6766946858 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 Sum of eigenvalues= 18.1565940163589 eV Ratio to renormalize= 1.00000000019067 nargs= 1 argi=dmft2.def 49) Finished k-point number 50 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 67) Finished k-point number 68 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.932022040465847 0.925706411003106 0.935720083725106 0.925095277588776 0.917595835054750 0.923612627060586 0.934495219458783 57) Finished k-point number 58 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6766946858116 Density= 19.9969210529046 20.0000000000000 EF 15.9488085179251 Density= 20.5163908737941 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1722159 1.1522159 0.516391 -0.307895E-02 1 1.1622159 1.1522155 0.264074 -0.307895E-02 2 1.1572157 1.1522157 0.124261 -0.307895E-02 3 1.1547157 1.1522156 0.595918E-01 -0.307895E-02 4 1.1534656 1.1522151 0.280782E-01 -0.307895E-02 5 1.1528404 1.1522154 0.124533E-01 -0.307895E-02 6 1.1525279 1.1522157 0.467184E-02 -0.307895E-02 7 1.1523718 1.1522151 0.792181E-03 -0.307895E-02 8 1.1523398 1.1523718 -0.391655E-05 0.792181E-03 9 1.1523399 1.1523718 -0.413142E-09 0.792181E-03 10 1.1523399 1.1523399 0.207086E-08 -0.413142E-09 Relative convergence of the X interval. Difference in EF= 0.0016871274 EF set to : 15.6783818132 new EF (no-mixing): 15.6783818132 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 18.1657984005848 eV Ratio to renormalize= 1.00000000021187 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 67) Finished k-point number 68 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 32 34) Finished k-point number 35 1 with #bands= 32 47) Finished k-point number 48 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 30 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.932056568901769 0.925705650246713 0.935746998597427 0.925093458053116 0.917557514809066 0.923609580290257 0.934465153242660 6) Finished k-point number 7 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 30 71) Finished k-point number 72 1 with #bands= 30 70) Finished k-point number 71 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 30 Data-size pr_processor[MBy]= 0.2197266 Total datasize is[MBy]= 21.97266 max_nbands= 32 nomega= 450 pr_proc= 1 nprocs= 100 EF 15.6783818132332 Density= 19.9997279431225 20.0000000000000 EF 15.9504956453468 Density= 20.5190961669808 20.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 1.1723399 1.1523399 0.519096 -0.272057E-03 1 1.1623399 1.1523395 0.267131 -0.272057E-03 2 1.1573397 1.1523397 0.127232 -0.272057E-03 3 1.1548397 1.1523396 0.624413E-01 -0.272057E-03 4 1.1535896 1.1523391 0.309004E-01 -0.272057E-03 5 1.1529644 1.1523394 0.152666E-01 -0.272057E-03 6 1.1526519 1.1523397 0.748165E-02 -0.272057E-03 7 1.1524958 1.1523391 0.360046E-02 -0.272057E-03 8 1.1524174 1.1523394 0.165321E-02 -0.272057E-03 9 1.1523784 1.1523392 0.684082E-03 -0.272057E-03 10 1.1523588 1.1523393 0.197557E-03 -0.272057E-03 11 1.1523507 1.1523588 -0.421453E-05 0.197557E-03 12 1.1523509 1.1523588 -0.110880E-09 0.197557E-03 13 1.1523509 1.1523509 0.237214E-08 -0.110880E-09 Relative convergence of the X interval. Difference in EF= 0.0001490785 EF set to : 15.6785308917 new EF (no-mixing): 15.6785308917 mpr_proc= 1 myrank= 0 nprocs= 100 nkpt= 1 6) Finished k-point 7 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 32 71) Finished k-point 72 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 36 69) Finished k-point 70 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 46) Finished k-point 47 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 34 5) Finished k-point 6 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 14) Finished k-point 15 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 9) Finished k-point 10 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 8) Finished k-point 9 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 2) Finished k-point 3 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 34) Finished k-point 35 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 28) Finished k-point 29 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 19) Finished k-point 20 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 25) Finished k-point 26 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 63) Finished k-point 64 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 66) Finished k-point 67 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 39) Finished k-point 40 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 59) Finished k-point 60 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 48) Finished k-point 49 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 52) Finished k-point 53 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 49) Finished k-point 50 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 18.1677292094385 eV Ratio to renormalize= 1.00000000027295