nargs= 1 argi=dmft2.def Emin,Emax= 0.1826481164 1.0646319273 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 2) Finished k-point number 5 1 with #bands= 26 2) Finished k-point number 6 2 with #bands= 26 3) Finished k-point number 7 1 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 1) Finished k-point number 3 1 with #bands= 26 5) Finished k-point number 11 1 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 1) Finished k-point number 4 2 with #bands= 26 5) Finished k-point number 12 2 with #bands= 26 sumw= 1728.00000000000 6) Finished k-point number 14 2 with #bands= 24 9) Finished k-point number 19 1 with #bands= 26 10) Finished k-point number 21 1 with #bands= 26 4) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 7) Finished k-point number 15 1 with #bands= 24 15) Finished k-point number 31 1 with #bands= 22 13) Finished k-point number 27 1 with #bands= 26 7) Finished k-point number 16 2 with #bands= 26 8) Finished k-point number 17 1 with #bands= 26 15) Finished k-point number 32 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 11) Finished k-point number 23 1 with #bands= 22 11) Finished k-point number 24 2 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 12) Finished k-point number 25 1 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 14) Finished k-point number 29 1 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 14) Finished k-point number 30 2 with #bands= 24 0) Finished k-point number 2 2 with #bands= 26 16) Finished k-point number 34 2 with #bands= 24 19) Finished k-point number 39 1 with #bands= 24 29) Finished k-point number 59 1 with #bands= 24 30) Finished k-point number 61 1 with #bands= 24 23) Finished k-point number 47 1 with #bands= 24 23) Finished k-point number 48 2 with #bands= 24 19) Finished k-point number 40 2 with #bands= 24 20) Finished k-point number 41 1 with #bands= 22 20) Finished k-point number 42 2 with #bands= 22 29) Finished k-point number 60 2 with #bands= 24 30) Finished k-point number 62 2 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 17) Finished k-point number 35 1 with #bands= 26 18) Finished k-point number 38 2 with #bands= 24 21) Finished k-point number 43 1 with #bands= 20 17) Finished k-point number 36 2 with #bands= 24 21) Finished k-point number 44 2 with #bands= 26 28) Finished k-point number 57 1 with #bands= 24 26) Finished k-point number 53 1 with #bands= 24 25) Finished k-point number 51 1 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 25) Finished k-point number 52 2 with #bands= 24 28) Finished k-point number 58 2 with #bands= 22 22) Finished k-point number 45 1 with #bands= 26 31) Finished k-point number 63 1 with #bands= 22 22) Finished k-point number 46 2 with #bands= 24 31) Finished k-point number 64 2 with #bands= 22 27) Finished k-point number 55 1 with #bands= 24 24) Finished k-point number 49 1 with #bands= 26 27) Finished k-point number 56 2 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 34) Finished k-point number 69 1 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 33) Finished k-point number 67 1 with #bands= 24 34) Finished k-point number 70 2 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 32) Finished k-point number 66 2 with #bands= 24 35) Finished k-point number 72 2 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.960011067763724 0.958436311344401 3) Finished k-point number 7 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 21) Finished k-point number 43 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 1) Finished k-point number 3 1 with #bands= 26 2) Finished k-point number 5 1 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 5) Finished k-point number 11 1 with #bands= 26 19) Finished k-point number 39 1 with #bands= 24 9) Finished k-point number 19 1 with #bands= 26 4) Finished k-point number 9 1 with #bands= 26 8) Finished k-point number 17 1 with #bands= 26 31) Finished k-point number 63 1 with #bands= 22 23) Finished k-point number 47 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 26 28) Finished k-point number 57 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 26 14) Finished k-point number 29 1 with #bands= 26 30) Finished k-point number 61 1 with #bands= 24 25) Finished k-point number 51 1 with #bands= 24 34) Finished k-point number 69 1 with #bands= 22 26) Finished k-point number 53 1 with #bands= 24 35) Finished k-point number 71 1 with #bands= 22 13) Finished k-point number 27 1 with #bands= 26 27) Finished k-point number 55 1 with #bands= 24 29) Finished k-point number 59 1 with #bands= 24 33) Finished k-point number 67 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 24) Finished k-point number 49 1 with #bands= 26 32) Finished k-point number 65 1 with #bands= 24 20) Finished k-point number 42 2 with #bands= 22 6) Finished k-point number 14 2 with #bands= 24 3) Finished k-point number 8 2 with #bands= 26 11) Finished k-point number 24 2 with #bands= 24 18) Finished k-point number 38 2 with #bands= 24 15) Finished k-point number 32 2 with #bands= 24 0) Finished k-point number 2 2 with #bands= 26 31) Finished k-point number 64 2 with #bands= 22 19) Finished k-point number 40 2 with #bands= 24 21) Finished k-point number 44 2 with #bands= 26 28) Finished k-point number 58 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 7) Finished k-point number 16 2 with #bands= 26 2) Finished k-point number 6 2 with #bands= 26 23) Finished k-point number 48 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 17) Finished k-point number 36 2 with #bands= 24 14) Finished k-point number 30 2 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 27) Finished k-point number 56 2 with #bands= 24 25) Finished k-point number 52 2 with #bands= 24 5) Finished k-point number 12 2 with #bands= 26 26) Finished k-point number 54 2 with #bands= 24 29) Finished k-point number 60 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 22) Finished k-point number 46 2 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 26 32) Finished k-point number 66 2 with #bands= 24 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 8.51702709126000 Density= 11.7447800984254 EF 8.78914092337358 Density= 12.3557612695957 Brent's Method Step XA XB F(XA) F(XB) 0 0.64599000 0.62599000 0.355761 -0.255220 1 0.63599000 0.62599002 0.601234E-01 -0.255220 2 0.63403032 0.62599002 0.352185E-02 -0.255220 3 0.63391077 0.63403032 -0.292559E-02 0.352185E-02 4 0.63396501 0.63403032 -0.310777E-02 0.352185E-02 5 0.63399767 0.63396501 0.123038E-02 -0.310777E-02 6 0.63398841 0.63396501 0.107769E-03 -0.310777E-02 7 0.63398755 0.63398841 -0.149396E-04 0.107769E-03 8 0.63398765 0.63398755 0.179863E-06 -0.149396E-04 9 0.63398765 0.63398755 0.292584E-09 -0.149396E-04 10 0.63398765 0.63398765 -0.141369E-07 0.292584E-09 11 0.63398765 0.63398765 -0.141369E-07 0.292584E-09 Absolute convergence of the X interval. Difference in EF too large to mix 0.108813551126805 cutoff= 2.9999999E-02 Difference in EF= 0.1088135511 EF set to : 8.6258406424 new EF (no-mixing): 8.6258406424 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 41 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 23) Finished k-point 47 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 30) Finished k-point 61 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 53 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 28) Finished k-point 57 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 25) Finished k-point 51 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 2) Finished k-point 5 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 5) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 67 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 17) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 10) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 14) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 27 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 22) Finished k-point 45 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 49 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 42 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 64 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 11) Finished k-point 24 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 18) Finished k-point 38 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 15) Finished k-point 32 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 40 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 48 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 25) Finished k-point 52 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 60 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 66 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 17) Finished k-point 36 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 22 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 14) Finished k-point 30 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 2) Finished k-point 6 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 12 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 20 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 28 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -147.096779185626 eV Ratio to renormalize= 1.00000000117846 nargs= 1 argi=dmft2.def Emin,Emax= 0.1826481164 1.0646319273 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.62584064238680 1) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 7 1 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 sumw= 1728.00000000000 2) Finished k-point number 5 1 with #bands= 26 2) Finished k-point number 6 2 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 5) Finished k-point number 11 1 with #bands= 26 5) Finished k-point number 12 2 with #bands= 26 4) Finished k-point number 9 1 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 7) Finished k-point number 15 1 with #bands= 24 6) Finished k-point number 14 2 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 7) Finished k-point number 16 2 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 10) Finished k-point number 21 1 with #bands= 26 11) Finished k-point number 23 1 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 11) Finished k-point number 24 2 with #bands= 24 8) Finished k-point number 18 2 with #bands= 26 15) Finished k-point number 31 1 with #bands= 22 13) Finished k-point number 27 1 with #bands= 26 14) Finished k-point number 29 1 with #bands= 26 15) Finished k-point number 32 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 26 14) Finished k-point number 30 2 with #bands= 24 12) Finished k-point number 25 1 with #bands= 24 18) Finished k-point number 37 1 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 29) Finished k-point number 59 1 with #bands= 24 19) Finished k-point number 39 1 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 18) Finished k-point number 38 2 with #bands= 24 29) Finished k-point number 60 2 with #bands= 24 19) Finished k-point number 40 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 30) Finished k-point number 61 1 with #bands= 22 27) Finished k-point number 55 1 with #bands= 24 30) Finished k-point number 62 2 with #bands= 22 27) Finished k-point number 56 2 with #bands= 24 21) Finished k-point number 43 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 26 25) Finished k-point number 51 1 with #bands= 24 31) Finished k-point number 63 1 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 17) Finished k-point number 36 2 with #bands= 24 28) Finished k-point number 58 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 22 25) Finished k-point number 52 2 with #bands= 24 26) Finished k-point number 53 1 with #bands= 24 9) Finished k-point number 20 2 with #bands= 26 23) Finished k-point number 47 1 with #bands= 24 23) Finished k-point number 48 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 21) Finished k-point number 44 2 with #bands= 26 24) Finished k-point number 49 1 with #bands= 26 22) Finished k-point number 46 2 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 35) Finished k-point number 71 1 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 33) Finished k-point number 67 1 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 32) Finished k-point number 66 2 with #bands= 24 34) Finished k-point number 70 2 with #bands= 22 20) Finished k-point number 41 1 with #bands= 22 20) Finished k-point number 42 2 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.959737925794538 0.958124706753171 0) Finished k-point number 1 1 with #bands= 26 3) Finished k-point number 7 1 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 21) Finished k-point number 43 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 1) Finished k-point number 3 1 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 2) Finished k-point number 5 1 with #bands= 26 5) Finished k-point number 11 1 with #bands= 26 16) Finished k-point number 33 1 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 19) Finished k-point number 39 1 with #bands= 24 30) Finished k-point number 61 1 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 31) Finished k-point number 63 1 with #bands= 22 23) Finished k-point number 47 1 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 10) Finished k-point number 21 1 with #bands= 26 35) Finished k-point number 71 1 with #bands= 22 25) Finished k-point number 51 1 with #bands= 24 28) Finished k-point number 57 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 26 14) Finished k-point number 29 1 with #bands= 26 26) Finished k-point number 53 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 26 27) Finished k-point number 55 1 with #bands= 24 29) Finished k-point number 59 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 24) Finished k-point number 49 1 with #bands= 26 20) Finished k-point number 42 2 with #bands= 22 6) Finished k-point number 14 2 with #bands= 24 11) Finished k-point number 24 2 with #bands= 24 0) Finished k-point number 2 2 with #bands= 26 3) Finished k-point number 8 2 with #bands= 26 18) Finished k-point number 38 2 with #bands= 24 15) Finished k-point number 32 2 with #bands= 24 31) Finished k-point number 64 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 19) Finished k-point number 40 2 with #bands= 24 21) Finished k-point number 44 2 with #bands= 26 12) Finished k-point number 26 2 with #bands= 24 28) Finished k-point number 58 2 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 7) Finished k-point number 16 2 with #bands= 26 23) Finished k-point number 48 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 2) Finished k-point number 6 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 17) Finished k-point number 36 2 with #bands= 24 5) Finished k-point number 12 2 with #bands= 26 14) Finished k-point number 30 2 with #bands= 24 25) Finished k-point number 52 2 with #bands= 24 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 33) Finished k-point number 67 1 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 32) Finished k-point number 66 2 with #bands= 24 29) Finished k-point number 60 2 with #bands= 24 8) Finished k-point number 18 2 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 22) Finished k-point number 46 2 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 26 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 8.62584064238680 Density= 11.9791061317093 EF 8.89795447450039 Density= 12.4374193895640 Brent's Method Step XA XB F(XA) F(XB) 0 0.65398765 0.63398765 0.437419 -0.208939E-01 1 0.64398765 0.63398767 0.207410 -0.208939E-01 2 0.63898766 0.63398790 0.123063 -0.208939E-01 3 0.63648778 0.63398754 0.457535E-01 -0.208939E-01 4 0.63523766 0.63398772 0.706340E-02 -0.208939E-01 5 0.63494933 0.63398772 0.190517E-02 -0.208939E-01 6 0.63484944 0.63398772 0.900096E-03 -0.208939E-01 7 0.63476448 0.63398772 0.160538E-03 -0.208939E-01 8 0.63474656 0.63476448 -0.109002E-03 0.160538E-03 9 0.63475381 0.63474656 0.756839E-05 -0.109002E-03 10 0.63475334 0.63474656 0.321703E-06 -0.109002E-03 11 0.63475331 0.63475334 -0.712941E-10 0.321703E-06 Absolute convergence of |F(X)|. Difference in EF= 0.0104173907 EF set to : 8.6362580331 new EF (no-mixing): 8.6362580331 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 41 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 30) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 47 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 28) Finished k-point 57 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 2) Finished k-point 5 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 39 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 25) Finished k-point 51 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 53 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 67 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 17) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 10) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 14) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 27 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 49 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 42 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 64 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 18) Finished k-point 38 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 15) Finished k-point 32 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 19) Finished k-point 40 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 48 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 25) Finished k-point 52 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 60 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 17) Finished k-point 36 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 22 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 14) Finished k-point 30 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 5) Finished k-point 12 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 2) Finished k-point 6 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 20 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 28 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -146.754976651221 eV Ratio to renormalize= 1.00000000000631 nargs= 1 argi=dmft2.def Emin,Emax= 0.1826481164 1.0646319273 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.63625803313437 3) Finished k-point number 7 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 5) Finished k-point number 11 1 with #bands= 26 3) Finished k-point number 8 2 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 5) Finished k-point number 12 2 with #bands= 24 7) Finished k-point number 15 1 with #bands= 24 sumw= 1728.00000000000 7) Finished k-point number 16 2 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 6) Finished k-point number 14 2 with #bands= 24 9) Finished k-point number 19 1 with #bands= 26 4) Finished k-point number 9 1 with #bands= 26 2) Finished k-point number 5 1 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 2) Finished k-point number 6 2 with #bands= 26 15) Finished k-point number 31 1 with #bands= 22 12) Finished k-point number 25 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 26 11) Finished k-point number 23 1 with #bands= 22 15) Finished k-point number 32 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 26 12) Finished k-point number 26 2 with #bands= 24 14) Finished k-point number 29 1 with #bands= 26 11) Finished k-point number 24 2 with #bands= 24 10) Finished k-point number 21 1 with #bands= 26 14) Finished k-point number 30 2 with #bands= 24 10) Finished k-point number 22 2 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 29) Finished k-point number 59 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 23) Finished k-point number 47 1 with #bands= 24 20) Finished k-point number 41 1 with #bands= 22 0) Finished k-point number 2 2 with #bands= 26 22) Finished k-point number 45 1 with #bands= 26 23) Finished k-point number 48 2 with #bands= 22 17) Finished k-point number 35 1 with #bands= 26 25) Finished k-point number 51 1 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 31) Finished k-point number 63 1 with #bands= 22 17) Finished k-point number 36 2 with #bands= 24 20) Finished k-point number 42 2 with #bands= 22 21) Finished k-point number 43 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 25) Finished k-point number 52 2 with #bands= 24 24) Finished k-point number 49 1 with #bands= 26 27) Finished k-point number 56 2 with #bands= 24 31) Finished k-point number 64 2 with #bands= 22 19) Finished k-point number 39 1 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 29) Finished k-point number 60 2 with #bands= 24 21) Finished k-point number 44 2 with #bands= 26 19) Finished k-point number 40 2 with #bands= 22 24) Finished k-point number 50 2 with #bands= 24 28) Finished k-point number 58 2 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 30) Finished k-point number 61 1 with #bands= 22 26) Finished k-point number 53 1 with #bands= 24 30) Finished k-point number 62 2 with #bands= 22 26) Finished k-point number 54 2 with #bands= 24 18) Finished k-point number 37 1 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 33) Finished k-point number 67 1 with #bands= 24 34) Finished k-point number 70 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 32) Finished k-point number 66 2 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.958514672466866 0.956844373940699 3) Finished k-point number 7 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 21) Finished k-point number 43 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 20) Finished k-point number 41 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 2) Finished k-point number 5 1 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 19) Finished k-point number 39 1 with #bands= 24 5) Finished k-point number 11 1 with #bands= 26 31) Finished k-point number 63 1 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 30) Finished k-point number 61 1 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 23) Finished k-point number 47 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 26 35) Finished k-point number 71 1 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 28) Finished k-point number 57 1 with #bands= 24 25) Finished k-point number 51 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 26 26) Finished k-point number 53 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 26 14) Finished k-point number 29 1 with #bands= 26 29) Finished k-point number 59 1 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 32) Finished k-point number 65 1 with #bands= 24 33) Finished k-point number 67 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 24) Finished k-point number 49 1 with #bands= 26 6) Finished k-point number 14 2 with #bands= 24 20) Finished k-point number 42 2 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 24 3) Finished k-point number 8 2 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 15) Finished k-point number 32 2 with #bands= 24 19) Finished k-point number 40 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 30) Finished k-point number 62 2 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 5) Finished k-point number 12 2 with #bands= 24 7) Finished k-point number 16 2 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 33) Finished k-point number 68 2 with #bands= 22 2) Finished k-point number 6 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 17) Finished k-point number 36 2 with #bands= 24 14) Finished k-point number 30 2 with #bands= 24 25) Finished k-point number 52 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 29) Finished k-point number 60 2 with #bands= 24 8) Finished k-point number 18 2 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 32) Finished k-point number 66 2 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 26 24) Finished k-point number 50 2 with #bands= 24 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 8.63625803313437 Density= 11.9581726505783 EF 8.90837186524795 Density= 12.6050399456683 Brent's Method Step XA XB F(XA) F(XB) 0 0.65475331 0.63475331 0.605040 -0.418273E-01 1 0.64475331 0.63475333 0.112342 -0.418273E-01 2 0.63975332 0.63475356 0.989843E-01 -0.418274E-01 3 0.63725344 0.63475369 0.104090E-02 -0.418273E-01 4 0.63720288 0.63475369 0.746665E-02 -0.418273E-01 5 0.63597828 0.63720288 -0.426049E-01 0.746665E-02 6 0.63659058 0.63597837 0.547826E-02 -0.426049E-01 7 0.63652083 0.63597837 0.830659E-02 -0.426049E-01 8 0.63624960 0.63652083 -0.215390E-02 0.830659E-02 9 0.63630545 0.63624960 0.515430E-02 -0.215390E-02 10 0.63627752 0.63624966 0.214714E-02 -0.215390E-02 11 0.63626359 0.63624966 0.214242E-03 -0.215390E-02 12 0.63626219 0.63626359 -0.192344E-05 0.214242E-03 13 0.63626220 0.63626219 0.192759E-07 -0.192344E-05 14 0.63626220 0.63626219 0.149569E-11 -0.192344E-05 Absolute convergence of |F(X)|. Difference in EF= 0.0205294432 EF set to : 8.6567874763 new EF (no-mixing): 8.6567874763 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 41 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 47 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 2) Finished k-point 5 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 39 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 25) Finished k-point 51 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 53 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 67 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 28) Finished k-point 57 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 10) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 17) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 27 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 14) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 49 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 22) Finished k-point 45 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 42 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 64 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 32 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 19) Finished k-point 40 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 25) Finished k-point 52 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 60 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 12 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 17) Finished k-point 36 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 14) Finished k-point 30 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 22 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 2) Finished k-point 6 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 20 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 28 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -145.058360723237 eV Ratio to renormalize= 1.00000000000020 nargs= 1 argi=dmft2.def Emin,Emax= 0.1826481164 1.0646319273 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.65678747634761 sumw= 1728.00000000000 4) Finished k-point number 9 1 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 4) Finished k-point number 10 2 with #bands= 26 6) Finished k-point number 14 2 with #bands= 24 5) Finished k-point number 11 1 with #bands= 26 5) Finished k-point number 12 2 with #bands= 24 7) Finished k-point number 15 1 with #bands= 24 7) Finished k-point number 16 2 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 1) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 7 1 with #bands= 22 0) Finished k-point number 2 2 with #bands= 26 16) Finished k-point number 33 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 3) Finished k-point number 8 2 with #bands= 26 2) Finished k-point number 5 1 with #bands= 26 17) Finished k-point number 36 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 2) Finished k-point number 6 2 with #bands= 24 10) Finished k-point number 21 1 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 18) Finished k-point number 37 1 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 20) Finished k-point number 41 1 with #bands= 22 23) Finished k-point number 47 1 with #bands= 24 11) Finished k-point number 23 1 with #bands= 22 19) Finished k-point number 39 1 with #bands= 24 23) Finished k-point number 48 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 24 20) Finished k-point number 42 2 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 13) Finished k-point number 27 1 with #bands= 26 15) Finished k-point number 31 1 with #bands= 22 24) Finished k-point number 49 1 with #bands= 26 13) Finished k-point number 28 2 with #bands= 26 15) Finished k-point number 32 2 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 9) Finished k-point number 19 1 with #bands= 26 31) Finished k-point number 63 1 with #bands= 22 28) Finished k-point number 57 1 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 9) Finished k-point number 20 2 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 26 31) Finished k-point number 64 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 14) Finished k-point number 30 2 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 26) Finished k-point number 53 1 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 33) Finished k-point number 67 1 with #bands= 24 25) Finished k-point number 51 1 with #bands= 24 32) Finished k-point number 65 1 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 30) Finished k-point number 61 1 with #bands= 22 22) Finished k-point number 45 1 with #bands= 26 32) Finished k-point number 66 2 with #bands= 24 30) Finished k-point number 62 2 with #bands= 22 29) Finished k-point number 59 1 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 29) Finished k-point number 60 2 with #bands= 24 34) Finished k-point number 69 1 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 21) Finished k-point number 43 1 with #bands= 20 21) Finished k-point number 44 2 with #bands= 26 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.954619976525790 0.952688938426841 0) Finished k-point number 1 1 with #bands= 26 3) Finished k-point number 7 1 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 21) Finished k-point number 43 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 18) Finished k-point number 37 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 2) Finished k-point number 5 1 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 5) Finished k-point number 11 1 with #bands= 26 19) Finished k-point number 39 1 with #bands= 24 9) Finished k-point number 19 1 with #bands= 26 30) Finished k-point number 61 1 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 10) Finished k-point number 21 1 with #bands= 26 8) Finished k-point number 17 1 with #bands= 26 34) Finished k-point number 69 1 with #bands= 22 23) Finished k-point number 47 1 with #bands= 24 35) Finished k-point number 71 1 with #bands= 22 25) Finished k-point number 51 1 with #bands= 24 28) Finished k-point number 57 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 26 26) Finished k-point number 53 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 26 29) Finished k-point number 59 1 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 26 32) Finished k-point number 65 1 with #bands= 24 33) Finished k-point number 67 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 24) Finished k-point number 49 1 with #bands= 26 19) Finished k-point number 40 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 24 20) Finished k-point number 42 2 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 0) Finished k-point number 2 2 with #bands= 26 11) Finished k-point number 24 2 with #bands= 24 3) Finished k-point number 8 2 with #bands= 26 15) Finished k-point number 32 2 with #bands= 24 31) Finished k-point number 64 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 2) Finished k-point number 6 2 with #bands= 24 34) Finished k-point number 70 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 25) Finished k-point number 52 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 5) Finished k-point number 12 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 7) Finished k-point number 16 2 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 17) Finished k-point number 36 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 29) Finished k-point number 60 2 with #bands= 24 14) Finished k-point number 30 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 32) Finished k-point number 66 2 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 26 24) Finished k-point number 50 2 with #bands= 24 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 8.65678747634761 Density= 11.8553987515467 EF 8.92890130846120 Density= 12.4494905922837 Brent's Method Step XA XB F(XA) F(XB) 0 0.65626220 0.63626220 0.449491 -0.144601 1 0.64626220 0.63626222 0.148293 -0.144601 2 0.64126221 0.63626197 0.434569E-02 -0.144601 3 0.64111382 0.64126221 -0.480511E-02 0.434569E-02 4 0.64118802 0.64111391 0.790950E-03 -0.480511E-02 5 0.64117754 0.64111391 0.166338E-03 -0.480511E-02 6 0.64117485 0.64117754 -0.177077E-05 0.166338E-03 7 0.64117487 0.64117485 0.165538E-07 -0.177077E-05 8 0.64117487 0.64117485 0.131273E-11 -0.177077E-05 Absolute convergence of |F(X)|. Difference in EF too large to mix 6.684032086370274E-002 cutoff= 2.9999999E-02 Difference in EF= 0.0668403209 EF set to : 8.7236277972 new EF (no-mixing): 8.7236277972 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 41 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 30) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 47 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 2) Finished k-point 5 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 39 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 25) Finished k-point 51 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 53 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 5) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 67 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 28) Finished k-point 57 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 27 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 17) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 14) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 49 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 42 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 31) Finished k-point 64 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 15) Finished k-point 32 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 60 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 2) Finished k-point 6 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 66 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 5) Finished k-point 12 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 22 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 17) Finished k-point 36 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 14) Finished k-point 30 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 20 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 28 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -139.974251320272 eV Ratio to renormalize= 1.00000000000024 nargs= 1 argi=dmft2.def Emin,Emax= 0.1826481164 1.0646319273 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.72362779721132 3) Finished k-point number 7 1 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 sumw= 1728.00000000000 2) Finished k-point number 5 1 with #bands= 26 2) Finished k-point number 6 2 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 1) Finished k-point number 3 1 with #bands= 26 7) Finished k-point number 15 1 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 7) Finished k-point number 16 2 with #bands= 26 14) Finished k-point number 29 1 with #bands= 26 15) Finished k-point number 31 1 with #bands= 22 14) Finished k-point number 30 2 with #bands= 24 15) Finished k-point number 32 2 with #bands= 24 12) Finished k-point number 25 1 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 26 18) Finished k-point number 37 1 with #bands= 22 13) Finished k-point number 28 2 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 0) Finished k-point number 2 2 with #bands= 26 6) Finished k-point number 14 2 with #bands= 24 5) Finished k-point number 11 1 with #bands= 26 9) Finished k-point number 19 1 with #bands= 26 8) Finished k-point number 17 1 with #bands= 26 18) Finished k-point number 38 2 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 5) Finished k-point number 12 2 with #bands= 24 30) Finished k-point number 61 1 with #bands= 22 9) Finished k-point number 20 2 with #bands= 26 31) Finished k-point number 63 1 with #bands= 22 8) Finished k-point number 18 2 with #bands= 26 30) Finished k-point number 62 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 22 17) Finished k-point number 35 1 with #bands= 26 19) Finished k-point number 39 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 26 11) Finished k-point number 23 1 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 24 10) Finished k-point number 22 2 with #bands= 24 11) Finished k-point number 24 2 with #bands= 24 28) Finished k-point number 57 1 with #bands= 24 28) Finished k-point number 58 2 with #bands= 22 22) Finished k-point number 45 1 with #bands= 26 23) Finished k-point number 47 1 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 29) Finished k-point number 59 1 with #bands= 24 23) Finished k-point number 48 2 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 29) Finished k-point number 60 2 with #bands= 24 34) Finished k-point number 70 2 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 32) Finished k-point number 66 2 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 27) Finished k-point number 55 1 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 24) Finished k-point number 49 1 with #bands= 26 20) Finished k-point number 41 1 with #bands= 22 25) Finished k-point number 51 1 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 25) Finished k-point number 52 2 with #bands= 22 20) Finished k-point number 42 2 with #bands= 22 26) Finished k-point number 53 1 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 21) Finished k-point number 43 1 with #bands= 20 21) Finished k-point number 44 2 with #bands= 26 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.954478438738679 0.952517488697981 3) Finished k-point number 7 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 21) Finished k-point number 43 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 18) Finished k-point number 37 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 2) Finished k-point number 5 1 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 19) Finished k-point number 39 1 with #bands= 24 5) Finished k-point number 11 1 with #bands= 26 4) Finished k-point number 9 1 with #bands= 26 30) Finished k-point number 61 1 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 31) Finished k-point number 63 1 with #bands= 22 23) Finished k-point number 47 1 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 10) Finished k-point number 21 1 with #bands= 26 28) Finished k-point number 57 1 with #bands= 24 34) Finished k-point number 69 1 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 33) Finished k-point number 67 1 with #bands= 22 13) Finished k-point number 27 1 with #bands= 26 25) Finished k-point number 51 1 with #bands= 24 26) Finished k-point number 53 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 26 17) Finished k-point number 35 1 with #bands= 26 27) Finished k-point number 55 1 with #bands= 24 29) Finished k-point number 59 1 with #bands= 24 32) Finished k-point number 65 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 24) Finished k-point number 49 1 with #bands= 26 19) Finished k-point number 40 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 24 18) Finished k-point number 38 2 with #bands= 22 20) Finished k-point number 42 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 24 3) Finished k-point number 8 2 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 15) Finished k-point number 32 2 with #bands= 24 31) Finished k-point number 64 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 2) Finished k-point number 6 2 with #bands= 24 21) Finished k-point number 44 2 with #bands= 26 23) Finished k-point number 48 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 5) Finished k-point number 12 2 with #bands= 24 7) Finished k-point number 16 2 with #bands= 26 16) Finished k-point number 34 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 17) Finished k-point number 36 2 with #bands= 24 14) Finished k-point number 30 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 29) Finished k-point number 60 2 with #bands= 24 32) Finished k-point number 66 2 with #bands= 24 8) Finished k-point number 18 2 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 22) Finished k-point number 46 2 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 26 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 8.72362779721132 Density= 11.9875384632095 EF 8.99574162932490 Density= 12.4747882405699 Brent's Method Step XA XB F(XA) F(XB) 0 0.66117487 0.64117487 0.474788 -0.124615E-01 1 0.65117487 0.64117489 0.222373 -0.124615E-01 2 0.64617488 0.64117512 0.133063 -0.124615E-01 3 0.64367500 0.64117525 0.659840E-01 -0.124615E-01 4 0.64242512 0.64117495 0.316919E-01 -0.124615E-01 5 0.64180003 0.64117486 0.106226E-01 -0.124615E-01 6 0.64150458 0.64117486 0.130516E-02 -0.124615E-01 7 0.64146786 0.64150458 -0.408258E-03 0.130516E-02 8 0.64147661 0.64150458 -0.100707E-04 0.130516E-02 9 0.64147683 0.64147661 0.411918E-05 -0.100707E-04 10 0.64147676 0.64147683 -0.200530E-07 0.411918E-05 11 0.64147676 0.64147683 -0.395257E-10 0.411918E-05 Absolute convergence of |F(X)|. Difference in EF= 0.0041074202 EF set to : 8.7277352174 new EF (no-mixing): 8.7277352174 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 41 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 47 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 2) Finished k-point 5 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 33) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 53 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 25) Finished k-point 51 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 5) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 28) Finished k-point 57 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 27 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 17) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 14) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 49 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 42 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 64 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 15) Finished k-point 32 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 60 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 2) Finished k-point 6 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 66 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 5) Finished k-point 12 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 22 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 17) Finished k-point 36 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 14) Finished k-point 30 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 20 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 28 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -139.849148191726 eV Ratio to renormalize= 1.00000000000364 nargs= 1 argi=dmft2.def Emin,Emax= 0.1826481164 1.0646319273 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.72773521740342 sumw= 1728.00000000000 2) Finished k-point number 5 1 with #bands= 26 2) Finished k-point number 6 2 with #bands= 24 6) Finished k-point number 13 1 with #bands= 22 5) Finished k-point number 11 1 with #bands= 26 5) Finished k-point number 12 2 with #bands= 24 6) Finished k-point number 14 2 with #bands= 24 10) Finished k-point number 21 1 with #bands= 26 9) Finished k-point number 19 1 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 1) Finished k-point number 3 1 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 7) Finished k-point number 15 1 with #bands= 24 3) Finished k-point number 7 1 with #bands= 22 7) Finished k-point number 16 2 with #bands= 26 3) Finished k-point number 8 2 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 11) Finished k-point number 23 1 with #bands= 22 0) Finished k-point number 2 2 with #bands= 26 8) Finished k-point number 17 1 with #bands= 26 11) Finished k-point number 24 2 with #bands= 24 8) Finished k-point number 18 2 with #bands= 26 14) Finished k-point number 29 1 with #bands= 26 15) Finished k-point number 31 1 with #bands= 22 14) Finished k-point number 30 2 with #bands= 24 15) Finished k-point number 32 2 with #bands= 24 12) Finished k-point number 25 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 26 12) Finished k-point number 26 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 26 25) Finished k-point number 51 1 with #bands= 24 18) Finished k-point number 37 1 with #bands= 22 16) Finished k-point number 33 1 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 21) Finished k-point number 43 1 with #bands= 20 25) Finished k-point number 52 2 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 27) Finished k-point number 56 2 with #bands= 24 23) Finished k-point number 47 1 with #bands= 24 21) Finished k-point number 44 2 with #bands= 26 23) Finished k-point number 48 2 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 17) Finished k-point number 35 1 with #bands= 26 17) Finished k-point number 36 2 with #bands= 24 20) Finished k-point number 41 1 with #bands= 22 20) Finished k-point number 42 2 with #bands= 22 24) Finished k-point number 49 1 with #bands= 26 19) Finished k-point number 39 1 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 19) Finished k-point number 40 2 with #bands= 20 26) Finished k-point number 53 1 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 30) Finished k-point number 61 1 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 33) Finished k-point number 67 1 with #bands= 24 32) Finished k-point number 65 1 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 32) Finished k-point number 66 2 with #bands= 24 31) Finished k-point number 64 2 with #bands= 22 28) Finished k-point number 57 1 with #bands= 24 28) Finished k-point number 58 2 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 29) Finished k-point number 59 1 with #bands= 24 34) Finished k-point number 70 2 with #bands= 22 29) Finished k-point number 60 2 with #bands= 24 35) Finished k-point number 71 1 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 22) Finished k-point number 45 1 with #bands= 26 22) Finished k-point number 46 2 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.955475944804133 0.953508443512409 3) Finished k-point number 7 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 11) Finished k-point number 23 1 with #bands= 22 21) Finished k-point number 43 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 20) Finished k-point number 41 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 2) Finished k-point number 5 1 with #bands= 26 4) Finished k-point number 9 1 with #bands= 26 16) Finished k-point number 33 1 with #bands= 24 5) Finished k-point number 11 1 with #bands= 26 19) Finished k-point number 39 1 with #bands= 24 9) Finished k-point number 19 1 with #bands= 26 31) Finished k-point number 63 1 with #bands= 22 30) Finished k-point number 61 1 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 10) Finished k-point number 21 1 with #bands= 26 23) Finished k-point number 47 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 26 34) Finished k-point number 69 1 with #bands= 22 28) Finished k-point number 57 1 with #bands= 24 25) Finished k-point number 51 1 with #bands= 24 35) Finished k-point number 71 1 with #bands= 22 17) Finished k-point number 35 1 with #bands= 26 26) Finished k-point number 53 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 26 27) Finished k-point number 55 1 with #bands= 24 29) Finished k-point number 59 1 with #bands= 24 33) Finished k-point number 67 1 with #bands= 24 32) Finished k-point number 65 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 24) Finished k-point number 49 1 with #bands= 26 19) Finished k-point number 40 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 22 20) Finished k-point number 42 2 with #bands= 22 6) Finished k-point number 14 2 with #bands= 24 11) Finished k-point number 24 2 with #bands= 24 3) Finished k-point number 8 2 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 15) Finished k-point number 32 2 with #bands= 24 31) Finished k-point number 64 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 25) Finished k-point number 52 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 2) Finished k-point number 6 2 with #bands= 24 5) Finished k-point number 12 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 7) Finished k-point number 16 2 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 33) Finished k-point number 68 2 with #bands= 22 10) Finished k-point number 22 2 with #bands= 24 17) Finished k-point number 36 2 with #bands= 24 14) Finished k-point number 30 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 29) Finished k-point number 60 2 with #bands= 24 8) Finished k-point number 18 2 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 13) Finished k-point number 28 2 with #bands= 26 32) Finished k-point number 66 2 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 EF 8.72773521740342 Density= 12.0111085499971 EF 8.45562138528984 Density= 11.4996961862271 Brent's Method Step XA XB F(XA) F(XB) 0 0.64147676 0.62147676 0.111086E-01 -0.500304 1 0.64104234 0.64147676 -0.306650E-02 0.111086E-01 2 0.64113632 0.64147676 -0.719834E-02 0.111086E-01 3 0.64130654 0.64113632 0.663151E-02 -0.719834E-02 4 0.64122492 0.64113632 0.930206E-04 -0.719834E-02 5 0.64122377 0.64113632 0.764699E-04 -0.719834E-02 6 0.64121853 0.64113632 0.103126E-03 -0.719834E-02 7 0.64117742 0.64121853 -0.198732E-03 0.103126E-03 8 0.64119798 0.64117752 0.750592E-03 -0.198732E-03 9 0.64118775 0.64117747 0.541481E-03 -0.198732E-03 10 0.64118261 0.64117726 0.235456E-03 -0.198732E-03 11 0.64117994 0.64117737 0.265972E-04 -0.198732E-03 12 0.64117962 0.64117994 -0.607491E-07 0.265972E-04 13 0.64117962 0.64117962 0.502983E-09 -0.607491E-07 14 0.64117962 0.64117962 -0.805118E-08 0.502983E-09 15 0.64117962 0.64117962 -0.805118E-08 0.502983E-09 Absolute convergence of the X interval. Difference in EF= -0.0040428268 EF set to : 8.7236923906 new EF (no-mixing): 8.7236923906 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 41 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 47 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 2) Finished k-point 5 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 39 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 25) Finished k-point 51 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 53 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 5) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 67 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 28) Finished k-point 57 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 27 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 17) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 14) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 49 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 42 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 31) Finished k-point 64 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 15) Finished k-point 32 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 60 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 2) Finished k-point 6 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 12 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 17) Finished k-point 36 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 22 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 14) Finished k-point 30 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 20 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 28 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -140.660721400494 eV Ratio to renormalize= 1.00000000067131 nargs= 1 argi=dmft2.def Emin,Emax= 0.1826481164 1.0646319273 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.72369239064798 13) Finished k-point number 27 1 with #bands= 26 15) Finished k-point number 31 1 with #bands= 22 13) Finished k-point number 28 2 with #bands= 26 15) Finished k-point number 32 2 with #bands= 24 3) Finished k-point number 7 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 8 2 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 5) Finished k-point number 11 1 with #bands= 26 7) Finished k-point number 15 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 26 17) Finished k-point number 36 2 with #bands= 24 19) Finished k-point number 39 1 with #bands= 24 5) Finished k-point number 12 2 with #bands= 24 14) Finished k-point number 29 1 with #bands= 26 7) Finished k-point number 16 2 with #bands= 26 19) Finished k-point number 40 2 with #bands= 20 14) Finished k-point number 30 2 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 18) Finished k-point number 37 1 with #bands= 22 12) Finished k-point number 25 1 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 18) Finished k-point number 38 2 with #bands= 22 sumw= 1728.00000000000 12) Finished k-point number 26 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 6) Finished k-point number 13 1 with #bands= 22 4) Finished k-point number 10 2 with #bands= 26 6) Finished k-point number 14 2 with #bands= 24 2) Finished k-point number 5 1 with #bands= 26 20) Finished k-point number 41 1 with #bands= 22 2) Finished k-point number 6 2 with #bands= 24 23) Finished k-point number 47 1 with #bands= 24 28) Finished k-point number 57 1 with #bands= 24 28) Finished k-point number 58 2 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 20) Finished k-point number 42 2 with #bands= 22 24) Finished k-point number 49 1 with #bands= 26 31) Finished k-point number 63 1 with #bands= 22 21) Finished k-point number 43 1 with #bands= 20 31) Finished k-point number 64 2 with #bands= 22 24) Finished k-point number 50 2 with #bands= 24 21) Finished k-point number 44 2 with #bands= 26 27) Finished k-point number 55 1 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 32) Finished k-point number 65 1 with #bands= 24 0) Finished k-point number 2 2 with #bands= 26 26) Finished k-point number 53 1 with #bands= 24 32) Finished k-point number 66 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 30) Finished k-point number 61 1 with #bands= 22 22) Finished k-point number 45 1 with #bands= 26 30) Finished k-point number 62 2 with #bands= 22 33) Finished k-point number 67 1 with #bands= 24 29) Finished k-point number 59 1 with #bands= 24 34) Finished k-point number 69 1 with #bands= 22 22) Finished k-point number 46 2 with #bands= 24 25) Finished k-point number 51 1 with #bands= 24 35) Finished k-point number 71 1 with #bands= 22 29) Finished k-point number 60 2 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 33) Finished k-point number 68 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 8) Finished k-point number 18 2 with #bands= 26 9) Finished k-point number 19 1 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 10) Finished k-point number 21 1 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 11) Finished k-point number 23 1 with #bands= 22 11) Finished k-point number 24 2 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.955274667552593 0.953333160401581 0) Finished k-point number 1 1 with #bands= 26 3) Finished k-point number 7 1 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 21) Finished k-point number 43 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 20) Finished k-point number 41 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 2) Finished k-point number 5 1 with #bands= 26 16) Finished k-point number 33 1 with #bands= 24 5) Finished k-point number 11 1 with #bands= 26 4) Finished k-point number 9 1 with #bands= 26 19) Finished k-point number 39 1 with #bands= 24 30) Finished k-point number 61 1 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 8) Finished k-point number 17 1 with #bands= 26 23) Finished k-point number 47 1 with #bands= 24 31) Finished k-point number 63 1 with #bands= 22 10) Finished k-point number 21 1 with #bands= 26 34) Finished k-point number 69 1 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 13) Finished k-point number 27 1 with #bands= 26 25) Finished k-point number 51 1 with #bands= 24 28) Finished k-point number 57 1 with #bands= 24 26) Finished k-point number 53 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 26 14) Finished k-point number 29 1 with #bands= 26 27) Finished k-point number 55 1 with #bands= 24 29) Finished k-point number 59 1 with #bands= 24 32) Finished k-point number 65 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 33) Finished k-point number 67 1 with #bands= 24 24) Finished k-point number 49 1 with #bands= 26 19) Finished k-point number 40 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 24 18) Finished k-point number 38 2 with #bands= 22 20) Finished k-point number 42 2 with #bands= 22 0) Finished k-point number 2 2 with #bands= 26 3) Finished k-point number 8 2 with #bands= 26 11) Finished k-point number 24 2 with #bands= 24 15) Finished k-point number 32 2 with #bands= 24 30) Finished k-point number 62 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 23) Finished k-point number 48 2 with #bands= 22 2) Finished k-point number 6 2 with #bands= 24 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 25) Finished k-point number 52 2 with #bands= 22 5) Finished k-point number 12 2 with #bands= 24 28) Finished k-point number 58 2 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 7) Finished k-point number 16 2 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 17) Finished k-point number 36 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 14) Finished k-point number 30 2 with #bands= 24 29) Finished k-point number 60 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 32) Finished k-point number 66 2 with #bands= 24 8) Finished k-point number 18 2 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 22) Finished k-point number 46 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 26 24) Finished k-point number 50 2 with #bands= 24 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 8.72369239064798 Density= 11.9928322342210 EF 8.99580622276156 Density= 12.5087421001699 Brent's Method Step XA XB F(XA) F(XB) 0 0.66117962 0.64117962 0.508742 -0.716777E-02 1 0.65117962 0.64117964 0.233347 -0.716777E-02 2 0.64617963 0.64117987 0.134277 -0.716777E-02 3 0.64367975 0.64117999 0.635661E-01 -0.716776E-02 4 0.64242987 0.64117969 0.351816E-01 -0.716777E-02 5 0.64180478 0.64117960 0.795281E-02 -0.716776E-02 6 0.64150070 0.64117965 0.401695E-02 -0.716777E-02 7 0.64129296 0.64150070 -0.139928E-01 0.401695E-02 8 0.64139683 0.64150087 -0.317577E-02 0.401695E-02 9 0.64143933 0.64150087 -0.296622E-03 0.401695E-02 10 0.64144365 0.64143933 0.112384E-03 -0.296622E-03 11 0.64144246 0.64143933 0.121873E-05 -0.296622E-03 12 0.64144245 0.64144246 -0.493339E-09 0.121873E-05 13 0.64144245 0.64144245 0.892859E-08 -0.493339E-09 14 0.64144245 0.64144245 0.892859E-08 -0.493339E-09 Absolute convergence of the X interval. Difference in EF= 0.0035759618 EF set to : 8.7272683524 new EF (no-mixing): 8.7272683524 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 41 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 47 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 2) Finished k-point 5 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 39 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 25) Finished k-point 51 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 53 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 5) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 28) Finished k-point 57 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 67 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 10) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 27 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 17) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 14) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 49 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 42 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 64 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 15) Finished k-point 32 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 60 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 2) Finished k-point 6 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 5) Finished k-point 12 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 10) Finished k-point 22 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 17) Finished k-point 36 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 14) Finished k-point 30 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 20 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 28 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -140.420908272938 eV Ratio to renormalize= 0.999999999256301 nargs= 1 argi=dmft2.def Emin,Emax= 0.1826481164 1.0646319273 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 4) Finished k-point number 9 1 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 5) Finished k-point number 11 1 with #bands= 26 7) Finished k-point number 15 1 with #bands= 24 6) Finished k-point number 13 1 with #bands= 22 5) Finished k-point number 12 2 with #bands= 24 7) Finished k-point number 16 2 with #bands= 26 6) Finished k-point number 14 2 with #bands= 24 Found EF.dat and EF is 8.72726835240266 8) Finished k-point number 17 1 with #bands= 26 10) Finished k-point number 21 1 with #bands= 26 11) Finished k-point number 23 1 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 3) Finished k-point number 7 1 with #bands= 22 9) Finished k-point number 20 2 with #bands= 26 11) Finished k-point number 24 2 with #bands= 24 1) Finished k-point number 3 1 with #bands= 26 16) Finished k-point number 33 1 with #bands= 24 3) Finished k-point number 8 2 with #bands= 26 2) Finished k-point number 5 1 with #bands= 26 17) Finished k-point number 35 1 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 19) Finished k-point number 39 1 with #bands= 24 2) Finished k-point number 6 2 with #bands= 24 17) Finished k-point number 36 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 19) Finished k-point number 40 2 with #bands= 20 18) Finished k-point number 37 1 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 sumw= 1728.00000000000 29) Finished k-point number 59 1 with #bands= 24 30) Finished k-point number 61 1 with #bands= 22 29) Finished k-point number 60 2 with #bands= 24 30) Finished k-point number 62 2 with #bands= 22 28) Finished k-point number 57 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 31) Finished k-point number 63 1 with #bands= 22 0) Finished k-point number 2 2 with #bands= 26 31) Finished k-point number 64 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 12) Finished k-point number 25 1 with #bands= 24 15) Finished k-point number 31 1 with #bands= 22 13) Finished k-point number 27 1 with #bands= 26 14) Finished k-point number 29 1 with #bands= 26 12) Finished k-point number 26 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 26 15) Finished k-point number 32 2 with #bands= 24 14) Finished k-point number 30 2 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 25) Finished k-point number 51 1 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 25) Finished k-point number 52 2 with #bands= 22 24) Finished k-point number 49 1 with #bands= 26 26) Finished k-point number 53 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 24) Finished k-point number 50 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 21) Finished k-point number 43 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 20) Finished k-point number 42 2 with #bands= 22 23) Finished k-point number 47 1 with #bands= 24 23) Finished k-point number 48 2 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 33) Finished k-point number 67 1 with #bands= 24 34) Finished k-point number 70 2 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.955605611214182 0.953693627944143 35) Finished k-point number 71 1 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 32) Finished k-point number 66 2 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 3) Finished k-point number 7 1 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 21) Finished k-point number 43 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 18) Finished k-point number 37 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 2) Finished k-point number 5 1 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 5) Finished k-point number 11 1 with #bands= 26 19) Finished k-point number 39 1 with #bands= 24 9) Finished k-point number 19 1 with #bands= 26 30) Finished k-point number 61 1 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 31) Finished k-point number 63 1 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 23) Finished k-point number 47 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 26 35) Finished k-point number 71 1 with #bands= 22 26) Finished k-point number 53 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 26 25) Finished k-point number 51 1 with #bands= 24 28) Finished k-point number 57 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 26 14) Finished k-point number 29 1 with #bands= 26 27) Finished k-point number 55 1 with #bands= 24 29) Finished k-point number 59 1 with #bands= 24 32) Finished k-point number 65 1 with #bands= 24 33) Finished k-point number 67 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 24) Finished k-point number 49 1 with #bands= 26 19) Finished k-point number 40 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 22 6) Finished k-point number 14 2 with #bands= 24 20) Finished k-point number 42 2 with #bands= 22 0) Finished k-point number 2 2 with #bands= 26 11) Finished k-point number 24 2 with #bands= 24 3) Finished k-point number 8 2 with #bands= 26 15) Finished k-point number 32 2 with #bands= 24 30) Finished k-point number 62 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 2) Finished k-point number 6 2 with #bands= 24 34) Finished k-point number 70 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 5) Finished k-point number 12 2 with #bands= 24 7) Finished k-point number 16 2 with #bands= 26 28) Finished k-point number 58 2 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 26) Finished k-point number 54 2 with #bands= 24 17) Finished k-point number 36 2 with #bands= 24 14) Finished k-point number 30 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 29) Finished k-point number 60 2 with #bands= 24 9) Finished k-point number 20 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 32) Finished k-point number 66 2 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 26 24) Finished k-point number 50 2 with #bands= 24 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 8.72726835240266 Density= 12.0091324936602 EF 8.45515452028908 Density= 11.4935368007232 Brent's Method Step XA XB F(XA) F(XB) 0 0.64144245 0.62144245 0.913249E-02 -0.506463 1 0.64108820 0.62144245 0.158328E-02 -0.506463 2 0.64101414 0.62144245 0.195241E-03 -0.506463 3 0.64100373 0.62144245 0.503255E-05 -0.506463 4 0.64100345 0.62144245 0.186272E-06 -0.506463 5 0.64100344 0.62144245 0.153458E-09 -0.506463 6 0.64100344 0.64100344 -0.160500E-08 0.153458E-09 7 0.64100344 0.64100344 -0.160500E-08 0.153458E-09 Absolute convergence of the X interval. Difference in EF= -0.0059730301 EF set to : 8.7212953223 new EF (no-mixing): 8.7212953223 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 41 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 30) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 23) Finished k-point 47 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 26) Finished k-point 53 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 25) Finished k-point 51 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 2) Finished k-point 5 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 5) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 67 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 28) Finished k-point 57 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 10) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 27 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 17) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 14) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 22) Finished k-point 45 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 49 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 42 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 64 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 15) Finished k-point 32 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 60 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 2) Finished k-point 6 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 5) Finished k-point 12 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 17) Finished k-point 36 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 22 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 14) Finished k-point 30 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 20 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 28 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -140.862778491596 eV Ratio to renormalize= 1.00000000013412 nargs= 1 argi=dmft2.def Emin,Emax= 0.1826481164 1.0646319273 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.72129532229714 5) Finished k-point number 11 1 with #bands= 26 7) Finished k-point number 15 1 with #bands= 24 5) Finished k-point number 12 2 with #bands= 24 7) Finished k-point number 16 2 with #bands= 26 2) Finished k-point number 5 1 with #bands= 26 1) Finished k-point number 3 1 with #bands= 26 4) Finished k-point number 9 1 with #bands= 26 2) Finished k-point number 6 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 4) Finished k-point number 10 2 with #bands= 26 6) Finished k-point number 14 2 with #bands= 24 sumw= 1728.00000000000 13) Finished k-point number 27 1 with #bands= 26 13) Finished k-point number 28 2 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 3) Finished k-point number 7 1 with #bands= 22 14) Finished k-point number 29 1 with #bands= 26 3) Finished k-point number 8 2 with #bands= 26 15) Finished k-point number 31 1 with #bands= 22 14) Finished k-point number 30 2 with #bands= 24 15) Finished k-point number 32 2 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 10) Finished k-point number 21 1 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 18) Finished k-point number 37 1 with #bands= 22 16) Finished k-point number 33 1 with #bands= 24 28) Finished k-point number 57 1 with #bands= 24 11) Finished k-point number 23 1 with #bands= 22 29) Finished k-point number 59 1 with #bands= 24 24) Finished k-point number 49 1 with #bands= 26 27) Finished k-point number 55 1 with #bands= 24 28) Finished k-point number 58 2 with #bands= 22 19) Finished k-point number 39 1 with #bands= 24 19) Finished k-point number 40 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 22 17) Finished k-point number 35 1 with #bands= 26 17) Finished k-point number 36 2 with #bands= 24 11) Finished k-point number 24 2 with #bands= 24 29) Finished k-point number 60 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 9) Finished k-point number 19 1 with #bands= 26 16) Finished k-point number 34 2 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 9) Finished k-point number 20 2 with #bands= 26 32) Finished k-point number 65 1 with #bands= 24 34) Finished k-point number 69 1 with #bands= 22 32) Finished k-point number 66 2 with #bands= 24 20) Finished k-point number 41 1 with #bands= 22 33) Finished k-point number 67 1 with #bands= 24 30) Finished k-point number 61 1 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 25) Finished k-point number 51 1 with #bands= 24 34) Finished k-point number 70 2 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 20) Finished k-point number 42 2 with #bands= 22 23) Finished k-point number 47 1 with #bands= 24 26) Finished k-point number 53 1 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 23) Finished k-point number 48 2 with #bands= 22 22) Finished k-point number 45 1 with #bands= 26 22) Finished k-point number 46 2 with #bands= 24 21) Finished k-point number 43 1 with #bands= 20 21) Finished k-point number 44 2 with #bands= 26 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.955605245824744 0.953684483023281 3) Finished k-point number 7 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 21) Finished k-point number 43 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 1) Finished k-point number 3 1 with #bands= 26 2) Finished k-point number 5 1 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 16) Finished k-point number 33 1 with #bands= 24 5) Finished k-point number 11 1 with #bands= 26 19) Finished k-point number 39 1 with #bands= 24 9) Finished k-point number 19 1 with #bands= 26 30) Finished k-point number 61 1 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 23) Finished k-point number 47 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 26 8) Finished k-point number 17 1 with #bands= 26 13) Finished k-point number 27 1 with #bands= 26 26) Finished k-point number 53 1 with #bands= 24 28) Finished k-point number 57 1 with #bands= 24 25) Finished k-point number 51 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 26 14) Finished k-point number 29 1 with #bands= 26 34) Finished k-point number 69 1 with #bands= 22 27) Finished k-point number 55 1 with #bands= 24 29) Finished k-point number 59 1 with #bands= 24 35) Finished k-point number 71 1 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 33) Finished k-point number 67 1 with #bands= 24 24) Finished k-point number 49 1 with #bands= 26 19) Finished k-point number 40 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 24 20) Finished k-point number 42 2 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 11) Finished k-point number 24 2 with #bands= 24 15) Finished k-point number 32 2 with #bands= 24 31) Finished k-point number 64 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 2) Finished k-point number 6 2 with #bands= 24 23) Finished k-point number 48 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 5) Finished k-point number 12 2 with #bands= 24 25) Finished k-point number 52 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 7) Finished k-point number 16 2 with #bands= 26 14) Finished k-point number 30 2 with #bands= 24 10) Finished k-point number 22 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 17) Finished k-point number 36 2 with #bands= 24 9) Finished k-point number 20 2 with #bands= 26 29) Finished k-point number 60 2 with #bands= 24 8) Finished k-point number 18 2 with #bands= 26 22) Finished k-point number 46 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 26 24) Finished k-point number 50 2 with #bands= 24 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 34) Finished k-point number 70 2 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 32) Finished k-point number 66 2 with #bands= 24 EF 8.72129532229714 Density= 12.0003882727997 EF 8.44918149018356 Density= 11.4775014701819 Brent's Method Step XA XB F(XA) F(XB) 0 0.64100344 0.62100344 0.388273E-03 -0.522499 1 0.64098859 0.62100344 0.109861E-03 -0.522499 2 0.64098273 0.64098859 -0.882274E-05 0.109861E-03 3 0.64098317 0.64098273 0.287630E-06 -0.882274E-05 4 0.64098315 0.64098273 0.785171E-09 -0.882274E-05 5 0.64098315 0.64098315 -0.130122E-08 0.785171E-09 6 0.64098315 0.64098315 -0.130122E-08 0.785171E-09 Absolute convergence of the X interval. Difference in EF= -0.0002760386 EF set to : 8.7210192837 new EF (no-mixing): 8.7210192837 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 20) Finished k-point 41 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 47 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 2) Finished k-point 5 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 51 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 53 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 28) Finished k-point 57 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 5) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 39 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 10) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 67 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 27 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 17) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 14) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 49 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 42 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 31) Finished k-point 64 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 11) Finished k-point 24 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 15) Finished k-point 32 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 2) Finished k-point 6 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 60 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 12 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 17) Finished k-point 36 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 22 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 14) Finished k-point 30 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 20 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 28 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -140.851821500938 eV Ratio to renormalize= 1.00000000010880 nargs= 1 argi=dmft2.def Emin,Emax= 0.1826481164 1.0646319273 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.72101928369855 2) Finished k-point number 5 1 with #bands= 26 2) Finished k-point number 6 2 with #bands= 24 3) Finished k-point number 7 1 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 1) Finished k-point number 3 1 with #bands= 26 sumw= 1728.00000000000 15) Finished k-point number 31 1 with #bands= 22 12) Finished k-point number 25 1 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 15) Finished k-point number 32 2 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 5) Finished k-point number 11 1 with #bands= 26 7) Finished k-point number 15 1 with #bands= 24 5) Finished k-point number 12 2 with #bands= 24 7) Finished k-point number 16 2 with #bands= 26 13) Finished k-point number 27 1 with #bands= 26 13) Finished k-point number 28 2 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 17) Finished k-point number 35 1 with #bands= 26 16) Finished k-point number 33 1 with #bands= 24 17) Finished k-point number 36 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 0) Finished k-point number 2 2 with #bands= 26 14) Finished k-point number 29 1 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 14) Finished k-point number 30 2 with #bands= 24 18) Finished k-point number 37 1 with #bands= 22 6) Finished k-point number 14 2 with #bands= 24 18) Finished k-point number 38 2 with #bands= 22 19) Finished k-point number 39 1 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 19) Finished k-point number 40 2 with #bands= 20 23) Finished k-point number 47 1 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 21) Finished k-point number 43 1 with #bands= 20 23) Finished k-point number 48 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 20) Finished k-point number 41 1 with #bands= 22 29) Finished k-point number 59 1 with #bands= 24 20) Finished k-point number 42 2 with #bands= 22 22) Finished k-point number 45 1 with #bands= 26 25) Finished k-point number 51 1 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 24) Finished k-point number 49 1 with #bands= 26 25) Finished k-point number 52 2 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 31) Finished k-point number 64 2 with #bands= 22 29) Finished k-point number 60 2 with #bands= 24 28) Finished k-point number 57 1 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 33) Finished k-point number 67 1 with #bands= 24 8) Finished k-point number 18 2 with #bands= 26 32) Finished k-point number 65 1 with #bands= 24 35) Finished k-point number 71 1 with #bands= 22 24) Finished k-point number 50 2 with #bands= 24 28) Finished k-point number 58 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 32) Finished k-point number 66 2 with #bands= 24 30) Finished k-point number 61 1 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 30) Finished k-point number 62 2 with #bands= 22 9) Finished k-point number 20 2 with #bands= 26 27) Finished k-point number 55 1 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 26) Finished k-point number 53 1 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 10) Finished k-point number 21 1 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 11) Finished k-point number 23 1 with #bands= 22 11) Finished k-point number 24 2 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.955709346309183 0.953830975411580 3) Finished k-point number 7 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 21) Finished k-point number 43 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 1) Finished k-point number 3 1 with #bands= 26 2) Finished k-point number 5 1 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 5) Finished k-point number 11 1 with #bands= 26 16) Finished k-point number 33 1 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 19) Finished k-point number 39 1 with #bands= 24 9) Finished k-point number 19 1 with #bands= 26 30) Finished k-point number 61 1 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 10) Finished k-point number 21 1 with #bands= 26 8) Finished k-point number 17 1 with #bands= 26 23) Finished k-point number 47 1 with #bands= 24 28) Finished k-point number 57 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 26 25) Finished k-point number 51 1 with #bands= 24 26) Finished k-point number 53 1 with #bands= 24 35) Finished k-point number 71 1 with #bands= 22 17) Finished k-point number 35 1 with #bands= 26 34) Finished k-point number 69 1 with #bands= 22 27) Finished k-point number 55 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 26 29) Finished k-point number 59 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 32) Finished k-point number 65 1 with #bands= 24 24) Finished k-point number 49 1 with #bands= 26 33) Finished k-point number 67 1 with #bands= 24 20) Finished k-point number 42 2 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 24 18) Finished k-point number 38 2 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 11) Finished k-point number 24 2 with #bands= 24 0) Finished k-point number 2 2 with #bands= 26 15) Finished k-point number 32 2 with #bands= 24 31) Finished k-point number 64 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 30) Finished k-point number 62 2 with #bands= 22 2) Finished k-point number 6 2 with #bands= 24 23) Finished k-point number 48 2 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 28) Finished k-point number 58 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 5) Finished k-point number 12 2 with #bands= 24 34) Finished k-point number 70 2 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 17) Finished k-point number 36 2 with #bands= 24 7) Finished k-point number 16 2 with #bands= 26 27) Finished k-point number 56 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 14) Finished k-point number 30 2 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 29) Finished k-point number 60 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 22) Finished k-point number 46 2 with #bands= 24 32) Finished k-point number 66 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 26 24) Finished k-point number 50 2 with #bands= 24 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 8.72101928369855 Density= 12.0022646794691 EF 8.44890545158496 Density= 11.4672638229664 Brent's Method Step XA XB F(XA) F(XB) 0 0.64098315 0.62098315 0.226468E-02 -0.532736 1 0.64089849 0.62098315 0.429886E-03 -0.532736 2 0.64087867 0.64089849 -0.154595E-03 0.429886E-03 3 0.64088391 0.64087867 0.241702E-04 -0.154595E-03 4 0.64088320 0.64087867 0.114730E-05 -0.154595E-03 5 0.64088317 0.64088320 -0.564585E-09 0.114730E-05 6 0.64088317 0.64088317 0.271000E-08 -0.564585E-09 7 0.64088317 0.64088317 0.271000E-08 -0.564585E-09 Absolute convergence of the X interval. Difference in EF= -0.0013603238 EF set to : 8.7196589599 new EF (no-mixing): 8.7196589599 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 41 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 30) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 47 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 2) Finished k-point 5 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 25) Finished k-point 51 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 53 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 28) Finished k-point 57 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 10) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 67 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 27 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 17) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 14) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 49 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 42 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 6) Finished k-point 14 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 64 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 32 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 60 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 2) Finished k-point 6 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 5) Finished k-point 12 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 10) Finished k-point 22 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 17) Finished k-point 36 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 14) Finished k-point 30 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 20 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 28 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -141.009554044164 eV Ratio to renormalize= 0.999999999774514 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 Emin,Emax= 0.1826481164 1.0646319273 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.71965895992596 3) Finished k-point number 7 1 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 14) Finished k-point number 29 1 with #bands= 26 sumw= 1728.00000000000 14) Finished k-point number 30 2 with #bands= 24 12) Finished k-point number 25 1 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 2) Finished k-point number 5 1 with #bands= 26 2) Finished k-point number 6 2 with #bands= 24 13) Finished k-point number 27 1 with #bands= 26 13) Finished k-point number 28 2 with #bands= 26 15) Finished k-point number 31 1 with #bands= 22 10) Finished k-point number 21 1 with #bands= 26 15) Finished k-point number 32 2 with #bands= 24 11) Finished k-point number 23 1 with #bands= 22 11) Finished k-point number 24 2 with #bands= 24 10) Finished k-point number 22 2 with #bands= 24 19) Finished k-point number 39 1 with #bands= 24 18) Finished k-point number 37 1 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 22 16) Finished k-point number 33 1 with #bands= 24 31) Finished k-point number 63 1 with #bands= 22 28) Finished k-point number 57 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 16) Finished k-point number 34 2 with #bands= 24 31) Finished k-point number 64 2 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 17) Finished k-point number 36 2 with #bands= 24 0) Finished k-point number 2 2 with #bands= 26 26) Finished k-point number 53 1 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 27) Finished k-point number 55 1 with #bands= 24 9) Finished k-point number 20 2 with #bands= 26 26) Finished k-point number 54 2 with #bands= 24 28) Finished k-point number 58 2 with #bands= 22 8) Finished k-point number 18 2 with #bands= 26 27) Finished k-point number 56 2 with #bands= 24 21) Finished k-point number 43 1 with #bands= 20 25) Finished k-point number 51 1 with #bands= 24 32) Finished k-point number 65 1 with #bands= 24 25) Finished k-point number 52 2 with #bands= 22 29) Finished k-point number 59 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 22) Finished k-point number 46 2 with #bands= 24 24) Finished k-point number 49 1 with #bands= 26 21) Finished k-point number 44 2 with #bands= 26 7) Finished k-point number 15 1 with #bands= 24 33) Finished k-point number 67 1 with #bands= 24 6) Finished k-point number 13 1 with #bands= 22 29) Finished k-point number 60 2 with #bands= 24 32) Finished k-point number 66 2 with #bands= 24 30) Finished k-point number 61 1 with #bands= 22 7) Finished k-point number 16 2 with #bands= 26 6) Finished k-point number 14 2 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 30) Finished k-point number 62 2 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 20) Finished k-point number 41 1 with #bands= 22 20) Finished k-point number 42 2 with #bands= 22 4) Finished k-point number 9 1 with #bands= 26 23) Finished k-point number 47 1 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 23) Finished k-point number 48 2 with #bands= 22 5) Finished k-point number 11 1 with #bands= 26 5) Finished k-point number 12 2 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.955816182200757 0.953923313570117 0) Finished k-point number 1 1 with #bands= 26 3) Finished k-point number 7 1 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 21) Finished k-point number 43 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 20) Finished k-point number 41 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 2) Finished k-point number 5 1 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 5) Finished k-point number 11 1 with #bands= 26 4) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 19 1 with #bands= 26 19) Finished k-point number 39 1 with #bands= 24 30) Finished k-point number 61 1 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 10) Finished k-point number 21 1 with #bands= 26 23) Finished k-point number 47 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 26 26) Finished k-point number 53 1 with #bands= 24 25) Finished k-point number 51 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 26 28) Finished k-point number 57 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 26 34) Finished k-point number 69 1 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 29) Finished k-point number 59 1 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 32) Finished k-point number 65 1 with #bands= 24 24) Finished k-point number 49 1 with #bands= 26 33) Finished k-point number 67 1 with #bands= 24 18) Finished k-point number 38 2 with #bands= 22 6) Finished k-point number 14 2 with #bands= 24 19) Finished k-point number 40 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 24 0) Finished k-point number 2 2 with #bands= 26 3) Finished k-point number 8 2 with #bands= 26 15) Finished k-point number 32 2 with #bands= 24 31) Finished k-point number 64 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 2) Finished k-point number 6 2 with #bands= 24 23) Finished k-point number 48 2 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 5) Finished k-point number 12 2 with #bands= 24 25) Finished k-point number 52 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 7) Finished k-point number 16 2 with #bands= 26 34) Finished k-point number 70 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 1) Finished k-point number 4 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 17) Finished k-point number 36 2 with #bands= 24 14) Finished k-point number 30 2 with #bands= 24 29) Finished k-point number 60 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 9) Finished k-point number 20 2 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 22) Finished k-point number 46 2 with #bands= 24 32) Finished k-point number 66 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 26 24) Finished k-point number 50 2 with #bands= 24 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 8.71965895992596 Density= 12.0041689720234 EF 8.44754512781238 Density= 11.4596414010356 Brent's Method Step XA XB F(XA) F(XB) 0 0.64088317 0.62088317 0.416897E-02 -0.540359 1 0.64073005 0.64088317 -0.117773E-02 0.416897E-02 2 0.64076378 0.64088317 -0.208629E-03 0.416897E-02 3 0.64077069 0.64076378 0.125877E-03 -0.208629E-03 4 0.64076809 0.64077069 -0.675305E-05 0.125877E-03 5 0.64076822 0.64077069 -0.189428E-06 0.125877E-03 6 0.64076823 0.64076822 0.244995E-10 -0.189428E-06 Absolute convergence of |F(X)|. Difference in EF= -0.0015639022 EF set to : 8.7180950577 new EF (no-mixing): 8.7180950577 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 20) Finished k-point 41 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 30) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 47 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 53 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 25) Finished k-point 51 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 2) Finished k-point 5 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 5) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 28) Finished k-point 57 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 39 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 67 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 27 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 17) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 14) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 49 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 42 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 31) Finished k-point 64 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 32 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 60 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 2) Finished k-point 6 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 12 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 22 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 17) Finished k-point 36 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 14) Finished k-point 30 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 20 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 28 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -141.124501227721 eV Ratio to renormalize= 0.999999999998317 nargs= 1 argi=dmft2.def Emin,Emax= 0.1826481164 1.0646319273 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.71809505770759 sumw= 1728.00000000000 3) Finished k-point number 7 1 with #bands= 22 2) Finished k-point number 5 1 with #bands= 26 3) Finished k-point number 8 2 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 26 8) Finished k-point number 17 1 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 11) Finished k-point number 23 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 12) Finished k-point number 26 2 with #bands= 24 2) Finished k-point number 6 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 26 11) Finished k-point number 24 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 9) Finished k-point number 19 1 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 10) Finished k-point number 21 1 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 14) Finished k-point number 29 1 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 15) Finished k-point number 31 1 with #bands= 22 14) Finished k-point number 30 2 with #bands= 24 15) Finished k-point number 32 2 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 27) Finished k-point number 55 1 with #bands= 24 17) Finished k-point number 36 2 with #bands= 24 7) Finished k-point number 15 1 with #bands= 24 6) Finished k-point number 14 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 7) Finished k-point number 16 2 with #bands= 26 22) Finished k-point number 45 1 with #bands= 26 19) Finished k-point number 39 1 with #bands= 24 26) Finished k-point number 53 1 with #bands= 24 18) Finished k-point number 37 1 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 18) Finished k-point number 38 2 with #bands= 22 21) Finished k-point number 43 1 with #bands= 20 19) Finished k-point number 40 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 21) Finished k-point number 44 2 with #bands= 26 4) Finished k-point number 9 1 with #bands= 26 24) Finished k-point number 49 1 with #bands= 26 23) Finished k-point number 47 1 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 23) Finished k-point number 48 2 with #bands= 22 24) Finished k-point number 50 2 with #bands= 24 5) Finished k-point number 11 1 with #bands= 26 5) Finished k-point number 12 2 with #bands= 24 29) Finished k-point number 59 1 with #bands= 24 28) Finished k-point number 57 1 with #bands= 24 25) Finished k-point number 51 1 with #bands= 24 29) Finished k-point number 60 2 with #bands= 24 25) Finished k-point number 52 2 with #bands= 22 30) Finished k-point number 61 1 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 31) Finished k-point number 64 2 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 32) Finished k-point number 66 2 with #bands= 24 33) Finished k-point number 67 1 with #bands= 24 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 20) Finished k-point number 41 1 with #bands= 22 20) Finished k-point number 42 2 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.955812394304448 0.953907167071762 3) Finished k-point number 7 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 21) Finished k-point number 43 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 1) Finished k-point number 3 1 with #bands= 26 2) Finished k-point number 5 1 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 16) Finished k-point number 33 1 with #bands= 24 5) Finished k-point number 11 1 with #bands= 26 9) Finished k-point number 19 1 with #bands= 26 19) Finished k-point number 39 1 with #bands= 24 30) Finished k-point number 61 1 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 23) Finished k-point number 47 1 with #bands= 24 31) Finished k-point number 63 1 with #bands= 22 10) Finished k-point number 21 1 with #bands= 26 25) Finished k-point number 51 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 26 14) Finished k-point number 29 1 with #bands= 26 17) Finished k-point number 35 1 with #bands= 26 26) Finished k-point number 53 1 with #bands= 24 28) Finished k-point number 57 1 with #bands= 24 35) Finished k-point number 71 1 with #bands= 22 29) Finished k-point number 59 1 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 24) Finished k-point number 49 1 with #bands= 26 18) Finished k-point number 38 2 with #bands= 22 6) Finished k-point number 14 2 with #bands= 24 19) Finished k-point number 40 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 24 3) Finished k-point number 8 2 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 15) Finished k-point number 32 2 with #bands= 24 31) Finished k-point number 64 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 23) Finished k-point number 48 2 with #bands= 22 2) Finished k-point number 6 2 with #bands= 24 25) Finished k-point number 52 2 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 5) Finished k-point number 12 2 with #bands= 24 28) Finished k-point number 58 2 with #bands= 22 7) Finished k-point number 16 2 with #bands= 26 16) Finished k-point number 34 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 33) Finished k-point number 67 1 with #bands= 24 32) Finished k-point number 65 1 with #bands= 24 17) Finished k-point number 36 2 with #bands= 24 10) Finished k-point number 22 2 with #bands= 24 14) Finished k-point number 30 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 29) Finished k-point number 60 2 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 27) Finished k-point number 56 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 22) Finished k-point number 46 2 with #bands= 24 32) Finished k-point number 66 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 26 24) Finished k-point number 50 2 with #bands= 24 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 8.71809505770759 Density= 11.9986227993862 EF 8.99020888982117 Density= 12.5819933951548 Brent's Method Step XA XB F(XA) F(XB) 0 0.66076822 0.64076823 0.581993 -0.137720E-02 1 0.65076822 0.64076824 0.210869 -0.137720E-02 2 0.64576823 0.64076847 0.122617 -0.137720E-02 3 0.64326835 0.64076812 0.626060E-01 -0.137720E-02 4 0.64201824 0.64076830 0.370398E-01 -0.137720E-02 5 0.64139327 0.64076845 0.141765E-01 -0.137720E-02 6 0.64108086 0.64076813 0.116727E-02 -0.137720E-02 7 0.64094761 0.64076813 0.426404E-02 -0.137720E-02 8 0.64085787 0.64076832 0.226522E-02 -0.137720E-02 9 0.64081310 0.64076823 0.108601E-02 -0.137720E-02 10 0.64079066 0.64081310 -0.222769E-04 0.108601E-02 11 0.64079111 0.64079066 0.404695E-05 -0.222769E-04 12 0.64079104 0.64079066 0.870716E-08 -0.222769E-04 13 0.64079104 0.64079066 0.513367E-12 -0.222769E-04 Absolute convergence of |F(X)|. Difference in EF= 0.0003104704 EF set to : 8.7184055281 new EF (no-mixing): 8.7184055281 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 41 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 30) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 47 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 2) Finished k-point 5 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 39 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 25) Finished k-point 51 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 53 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 28) Finished k-point 57 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 67 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 17) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 10) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 27 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 14) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 49 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 42 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 31) Finished k-point 64 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 15) Finished k-point 32 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 29) Finished k-point 60 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 2) Finished k-point 6 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 12 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 17) Finished k-point 36 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 14) Finished k-point 30 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 22 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 20 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 28 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -141.118895707119 eV Ratio to renormalize= 1.00000000000035 nargs= 1 argi=dmft2.def Emin,Emax= 0.1826481164 1.0646319273 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.71840552814101 1) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 7 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 6) Finished k-point number 13 1 with #bands= 22 1) Finished k-point number 4 2 with #bands= 26 3) Finished k-point number 8 2 with #bands= 26 7) Finished k-point number 16 2 with #bands= 26 6) Finished k-point number 14 2 with #bands= 24 sumw= 1728.00000000000 4) Finished k-point number 9 1 with #bands= 26 10) Finished k-point number 21 1 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 9) Finished k-point number 19 1 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 8) Finished k-point number 17 1 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 2) Finished k-point number 5 1 with #bands= 26 11) Finished k-point number 23 1 with #bands= 22 5) Finished k-point number 11 1 with #bands= 26 2) Finished k-point number 6 2 with #bands= 24 11) Finished k-point number 24 2 with #bands= 24 5) Finished k-point number 12 2 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 15) Finished k-point number 31 1 with #bands= 22 13) Finished k-point number 27 1 with #bands= 26 18) Finished k-point number 37 1 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 15) Finished k-point number 32 2 with #bands= 24 18) Finished k-point number 38 2 with #bands= 22 13) Finished k-point number 28 2 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 26 19) Finished k-point number 39 1 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 14) Finished k-point number 30 2 with #bands= 24 19) Finished k-point number 40 2 with #bands= 20 17) Finished k-point number 35 1 with #bands= 26 17) Finished k-point number 36 2 with #bands= 24 26) Finished k-point number 53 1 with #bands= 24 23) Finished k-point number 47 1 with #bands= 24 21) Finished k-point number 43 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 23) Finished k-point number 48 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 27) Finished k-point number 56 2 with #bands= 24 25) Finished k-point number 51 1 with #bands= 24 28) Finished k-point number 57 1 with #bands= 24 25) Finished k-point number 52 2 with #bands= 22 30) Finished k-point number 61 1 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 24) Finished k-point number 49 1 with #bands= 26 22) Finished k-point number 45 1 with #bands= 26 24) Finished k-point number 50 2 with #bands= 24 29) Finished k-point number 59 1 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 29) Finished k-point number 60 2 with #bands= 24 33) Finished k-point number 67 1 with #bands= 24 31) Finished k-point number 63 1 with #bands= 22 31) Finished k-point number 64 2 with #bands= 22 20) Finished k-point number 41 1 with #bands= 22 20) Finished k-point number 42 2 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 32) Finished k-point number 66 2 with #bands= 24 35) Finished k-point number 71 1 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.955933219555227 0.954058313042571 0) Finished k-point number 1 1 with #bands= 26 3) Finished k-point number 7 1 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 21) Finished k-point number 43 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 1) Finished k-point number 3 1 with #bands= 26 2) Finished k-point number 5 1 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 5) Finished k-point number 11 1 with #bands= 26 19) Finished k-point number 39 1 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 19 1 with #bands= 26 30) Finished k-point number 61 1 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 23) Finished k-point number 47 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 26 28) Finished k-point number 57 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 26 25) Finished k-point number 51 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 26 35) Finished k-point number 71 1 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 26) Finished k-point number 53 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 26 27) Finished k-point number 55 1 with #bands= 24 29) Finished k-point number 59 1 with #bands= 24 32) Finished k-point number 65 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 33) Finished k-point number 67 1 with #bands= 24 24) Finished k-point number 49 1 with #bands= 26 19) Finished k-point number 40 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 6) Finished k-point number 14 2 with #bands= 24 0) Finished k-point number 2 2 with #bands= 26 11) Finished k-point number 24 2 with #bands= 24 3) Finished k-point number 8 2 with #bands= 26 15) Finished k-point number 32 2 with #bands= 24 31) Finished k-point number 64 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 2) Finished k-point number 6 2 with #bands= 24 23) Finished k-point number 48 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 35) Finished k-point number 72 2 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 5) Finished k-point number 12 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 34) Finished k-point number 70 2 with #bands= 22 1) Finished k-point number 4 2 with #bands= 26 7) Finished k-point number 16 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 17) Finished k-point number 36 2 with #bands= 24 14) Finished k-point number 30 2 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 26) Finished k-point number 54 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 29) Finished k-point number 60 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 32) Finished k-point number 66 2 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 26 24) Finished k-point number 50 2 with #bands= 24 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 8.71840552814101 Density= 12.0035644954390 EF 8.44629169602743 Density= 11.4569399930999 Brent's Method Step XA XB F(XA) F(XB) 0 0.64079104 0.62079104 0.356450E-02 -0.543060 1 0.64066063 0.64079104 -0.111482E-02 0.356450E-02 2 0.64069170 0.64066063 0.839269E-03 -0.111482E-02 3 0.64067835 0.64066063 0.434562E-04 -0.111482E-02 4 0.64067765 0.64067835 -0.179527E-05 0.434562E-04 5 0.64067768 0.64067765 0.472112E-08 -0.179527E-05 6 0.64067768 0.64067768 -0.174637E-08 0.472112E-08 7 0.64067768 0.64067768 0.472112E-08 -0.174637E-08 8 0.64067768 0.64067768 0.472112E-08 -0.174637E-08 Absolute convergence of the X interval. Difference in EF= -0.0015424170 EF set to : 8.7168631111 new EF (no-mixing): 8.7168631111 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 20) Finished k-point 41 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 47 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 39 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 25) Finished k-point 51 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 53 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 2) Finished k-point 5 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 5) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 28) Finished k-point 57 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 67 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 27 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 17) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 14) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 49 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 42 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 31) Finished k-point 64 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 15) Finished k-point 32 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 60 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 2) Finished k-point 6 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 12 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 22 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 17) Finished k-point 36 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 14) Finished k-point 30 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 20 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 28 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -141.298982716111 eV Ratio to renormalize= 0.999999999606928 nargs= 1 argi=dmft2.def Emin,Emax= 0.1826481164 1.0646319273 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.71686311110403 2) Finished k-point number 5 1 with #bands= 26 1) Finished k-point number 3 1 with #bands= 26 2) Finished k-point number 6 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 4) Finished k-point number 9 1 with #bands= 26 7) Finished k-point number 15 1 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 7) Finished k-point number 16 2 with #bands= 26 sumw= 1728.00000000000 5) Finished k-point number 11 1 with #bands= 26 5) Finished k-point number 12 2 with #bands= 24 6) Finished k-point number 13 1 with #bands= 22 6) Finished k-point number 14 2 with #bands= 24 3) Finished k-point number 7 1 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 13) Finished k-point number 27 1 with #bands= 26 12) Finished k-point number 26 2 with #bands= 24 0) Finished k-point number 2 2 with #bands= 26 13) Finished k-point number 28 2 with #bands= 26 14) Finished k-point number 29 1 with #bands= 26 14) Finished k-point number 30 2 with #bands= 24 15) Finished k-point number 31 1 with #bands= 22 15) Finished k-point number 32 2 with #bands= 24 19) Finished k-point number 39 1 with #bands= 24 18) Finished k-point number 37 1 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 17) Finished k-point number 35 1 with #bands= 26 17) Finished k-point number 36 2 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 19) Finished k-point number 40 2 with #bands= 20 23) Finished k-point number 47 1 with #bands= 24 21) Finished k-point number 43 1 with #bands= 20 21) Finished k-point number 44 2 with #bands= 26 20) Finished k-point number 41 1 with #bands= 22 20) Finished k-point number 42 2 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 30) Finished k-point number 61 1 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 24) Finished k-point number 49 1 with #bands= 26 26) Finished k-point number 53 1 with #bands= 24 31) Finished k-point number 64 2 with #bands= 22 26) Finished k-point number 54 2 with #bands= 24 29) Finished k-point number 59 1 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 28) Finished k-point number 57 1 with #bands= 24 29) Finished k-point number 60 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 22) Finished k-point number 45 1 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 28) Finished k-point number 58 2 with #bands= 22 11) Finished k-point number 23 1 with #bands= 22 22) Finished k-point number 46 2 with #bands= 24 25) Finished k-point number 51 1 with #bands= 24 11) Finished k-point number 24 2 with #bands= 24 25) Finished k-point number 52 2 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 32) Finished k-point number 66 2 with #bands= 24 33) Finished k-point number 67 1 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 10) Finished k-point number 21 1 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.955978631695537 0.954086850048722 0) Finished k-point number 1 1 with #bands= 26 3) Finished k-point number 7 1 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 21) Finished k-point number 43 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 18) Finished k-point number 37 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 2) Finished k-point number 5 1 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 5) Finished k-point number 11 1 with #bands= 26 4) Finished k-point number 9 1 with #bands= 26 19) Finished k-point number 39 1 with #bands= 24 9) Finished k-point number 19 1 with #bands= 26 30) Finished k-point number 61 1 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 31) Finished k-point number 63 1 with #bands= 22 23) Finished k-point number 47 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 26 28) Finished k-point number 57 1 with #bands= 24 25) Finished k-point number 51 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 26 34) Finished k-point number 69 1 with #bands= 22 17) Finished k-point number 35 1 with #bands= 26 27) Finished k-point number 55 1 with #bands= 24 26) Finished k-point number 53 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 26 35) Finished k-point number 71 1 with #bands= 22 29) Finished k-point number 59 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 33) Finished k-point number 67 1 with #bands= 24 24) Finished k-point number 49 1 with #bands= 26 32) Finished k-point number 65 1 with #bands= 24 19) Finished k-point number 40 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 24 18) Finished k-point number 38 2 with #bands= 22 20) Finished k-point number 42 2 with #bands= 22 0) Finished k-point number 2 2 with #bands= 26 11) Finished k-point number 24 2 with #bands= 24 3) Finished k-point number 8 2 with #bands= 26 15) Finished k-point number 32 2 with #bands= 24 30) Finished k-point number 62 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 22 2) Finished k-point number 6 2 with #bands= 24 23) Finished k-point number 48 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 12) Finished k-point number 26 2 with #bands= 24 28) Finished k-point number 58 2 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 5) Finished k-point number 12 2 with #bands= 24 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 7) Finished k-point number 16 2 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 17) Finished k-point number 36 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 14) Finished k-point number 30 2 with #bands= 24 10) Finished k-point number 22 2 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 26) Finished k-point number 54 2 with #bands= 24 29) Finished k-point number 60 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 22) Finished k-point number 46 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 26 24) Finished k-point number 50 2 with #bands= 24 32) Finished k-point number 66 2 with #bands= 24 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 8.71686311110403 Density= 12.0018269508735 EF 8.44474927899044 Density= 11.4550014437015 Brent's Method Step XA XB F(XA) F(XB) 0 0.64067768 0.62067768 0.182695E-02 -0.544999 1 0.64061086 0.64067768 -0.192902E-02 0.182695E-02 2 0.64064427 0.64067762 -0.135231E-03 0.182695E-02 3 0.64064667 0.64064427 0.274272E-04 -0.135231E-03 4 0.64064627 0.64064427 0.121875E-07 -0.135231E-03 5 0.64064627 0.64064627 -0.170175E-11 0.121875E-07 Absolute convergence of |F(X)|. Difference in EF= -0.0004273866 EF set to : 8.7164357245 new EF (no-mixing): 8.7164357245 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 41 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 47 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 2) Finished k-point 5 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 25) Finished k-point 51 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 26) Finished k-point 53 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 5) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 28) Finished k-point 57 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 67 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 27 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 17) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 14) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 22) Finished k-point 45 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 49 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 42 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 31) Finished k-point 64 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 15) Finished k-point 32 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 2) Finished k-point 6 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 60 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 5) Finished k-point 12 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 17) Finished k-point 36 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 14) Finished k-point 30 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 22 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 20 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 28 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -141.342796421637 eV Ratio to renormalize= 1.00000000000050 nargs= 1 argi=dmft2.def Emin,Emax= 0.1826481164 1.0646319273 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.71643572450025 7) Finished k-point number 15 1 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 1) Finished k-point number 3 1 with #bands= 26 7) Finished k-point number 16 2 with #bands= 26 2) Finished k-point number 5 1 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 2) Finished k-point number 6 2 with #bands= 24 3) Finished k-point number 7 1 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 5) Finished k-point number 11 1 with #bands= 26 sumw= 1728.00000000000 6) Finished k-point number 13 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 5) Finished k-point number 12 2 with #bands= 24 14) Finished k-point number 29 1 with #bands= 26 6) Finished k-point number 14 2 with #bands= 24 15) Finished k-point number 32 2 with #bands= 24 14) Finished k-point number 30 2 with #bands= 24 13) Finished k-point number 27 1 with #bands= 26 13) Finished k-point number 28 2 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 11) Finished k-point number 23 1 with #bands= 22 11) Finished k-point number 24 2 with #bands= 24 23) Finished k-point number 47 1 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 22) Finished k-point number 45 1 with #bands= 26 16) Finished k-point number 33 1 with #bands= 24 23) Finished k-point number 48 2 with #bands= 22 17) Finished k-point number 35 1 with #bands= 26 16) Finished k-point number 34 2 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 10) Finished k-point number 21 1 with #bands= 26 17) Finished k-point number 36 2 with #bands= 24 29) Finished k-point number 59 1 with #bands= 24 10) Finished k-point number 22 2 with #bands= 24 30) Finished k-point number 61 1 with #bands= 22 29) Finished k-point number 60 2 with #bands= 24 20) Finished k-point number 41 1 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 20) Finished k-point number 42 2 with #bands= 22 28) Finished k-point number 57 1 with #bands= 24 19) Finished k-point number 39 1 with #bands= 24 18) Finished k-point number 37 1 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 27) Finished k-point number 55 1 with #bands= 24 25) Finished k-point number 51 1 with #bands= 24 24) Finished k-point number 49 1 with #bands= 26 27) Finished k-point number 56 2 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 25) Finished k-point number 52 2 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 26) Finished k-point number 53 1 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 31) Finished k-point number 63 1 with #bands= 22 31) Finished k-point number 64 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 33) Finished k-point number 67 1 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 32) Finished k-point number 66 2 with #bands= 24 9) Finished k-point number 19 1 with #bands= 26 21) Finished k-point number 43 1 with #bands= 20 9) Finished k-point number 20 2 with #bands= 26 21) Finished k-point number 44 2 with #bands= 26 34) Finished k-point number 69 1 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.955994247112860 0.954087742151412 0) Finished k-point number 1 1 with #bands= 26 3) Finished k-point number 7 1 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 21) Finished k-point number 43 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 20) Finished k-point number 41 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 2) Finished k-point number 5 1 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 5) Finished k-point number 11 1 with #bands= 26 4) Finished k-point number 9 1 with #bands= 26 30) Finished k-point number 61 1 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 19) Finished k-point number 39 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 26 31) Finished k-point number 63 1 with #bands= 22 23) Finished k-point number 47 1 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 25) Finished k-point number 51 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 26 28) Finished k-point number 57 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 26 35) Finished k-point number 71 1 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 26) Finished k-point number 53 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 26 27) Finished k-point number 55 1 with #bands= 24 29) Finished k-point number 59 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 24) Finished k-point number 49 1 with #bands= 26 32) Finished k-point number 65 1 with #bands= 24 33) Finished k-point number 67 1 with #bands= 24 6) Finished k-point number 14 2 with #bands= 24 18) Finished k-point number 38 2 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 24 0) Finished k-point number 2 2 with #bands= 26 3) Finished k-point number 8 2 with #bands= 26 15) Finished k-point number 32 2 with #bands= 24 30) Finished k-point number 62 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 22 2) Finished k-point number 6 2 with #bands= 24 21) Finished k-point number 44 2 with #bands= 26 23) Finished k-point number 48 2 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 25) Finished k-point number 52 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 5) Finished k-point number 12 2 with #bands= 24 34) Finished k-point number 70 2 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 7) Finished k-point number 16 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 17) Finished k-point number 36 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 14) Finished k-point number 30 2 with #bands= 24 29) Finished k-point number 60 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 33) Finished k-point number 68 2 with #bands= 22 8) Finished k-point number 18 2 with #bands= 26 22) Finished k-point number 46 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 26 24) Finished k-point number 50 2 with #bands= 24 32) Finished k-point number 66 2 with #bands= 24 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 8.71643572450025 Density= 12.0003892476665 EF 8.44432189238666 Density= 11.4544773997343 Brent's Method Step XA XB F(XA) F(XB) 0 0.64064627 0.62064627 0.389248E-03 -0.545523 1 0.64063201 0.64064627 -0.560767E-03 0.389248E-03 2 0.64063914 0.64064631 -0.916873E-04 0.389248E-03 3 0.64064052 0.64063914 0.158801E-05 -0.916873E-04 4 0.64064049 0.64064052 -0.237709E-08 0.158801E-05 5 0.64064049 0.64064049 0.438210E-08 -0.237709E-08 6 0.64064049 0.64064049 0.438210E-08 -0.237709E-08 Absolute convergence of the X interval. Difference in EF= -0.0000785273 EF set to : 8.7163571972 new EF (no-mixing): 8.7163571972 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 41 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 47 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 2) Finished k-point 5 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 25) Finished k-point 51 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 53 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 5) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 28) Finished k-point 57 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 17) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 27 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 14) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 67 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 49 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 42 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 31) Finished k-point 64 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 11) Finished k-point 24 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 32 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 60 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 2) Finished k-point 6 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 12 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 22 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 17) Finished k-point 36 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 14) Finished k-point 30 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 20 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 28 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -141.351134917848 eV Ratio to renormalize= 0.999999999635235 nargs= 1 argi=dmft2.def Emin,Emax= 0.1826481164 1.0646319273 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.71635719724506 3) Finished k-point number 7 1 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 1) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 sumw= 1728.00000000000 2) Finished k-point number 5 1 with #bands= 26 15) Finished k-point number 31 1 with #bands= 22 13) Finished k-point number 27 1 with #bands= 26 2) Finished k-point number 6 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 26 15) Finished k-point number 32 2 with #bands= 24 7) Finished k-point number 15 1 with #bands= 24 6) Finished k-point number 13 1 with #bands= 22 10) Finished k-point number 21 1 with #bands= 26 9) Finished k-point number 19 1 with #bands= 26 7) Finished k-point number 16 2 with #bands= 26 6) Finished k-point number 14 2 with #bands= 24 9) Finished k-point number 20 2 with #bands= 26 14) Finished k-point number 29 1 with #bands= 26 14) Finished k-point number 30 2 with #bands= 24 10) Finished k-point number 22 2 with #bands= 24 12) Finished k-point number 25 1 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 20) Finished k-point number 41 1 with #bands= 22 5) Finished k-point number 11 1 with #bands= 26 4) Finished k-point number 9 1 with #bands= 26 21) Finished k-point number 43 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 26 5) Finished k-point number 12 2 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 11) Finished k-point number 23 1 with #bands= 22 4) Finished k-point number 10 2 with #bands= 26 20) Finished k-point number 42 2 with #bands= 22 0) Finished k-point number 2 2 with #bands= 26 21) Finished k-point number 44 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 11) Finished k-point number 24 2 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 26) Finished k-point number 53 1 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 26 18) Finished k-point number 37 1 with #bands= 22 19) Finished k-point number 39 1 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 17) Finished k-point number 36 2 with #bands= 24 18) Finished k-point number 38 2 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 24) Finished k-point number 49 1 with #bands= 26 22) Finished k-point number 46 2 with #bands= 24 23) Finished k-point number 47 1 with #bands= 24 23) Finished k-point number 48 2 with #bands= 22 24) Finished k-point number 50 2 with #bands= 24 33) Finished k-point number 67 1 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 25) Finished k-point number 51 1 with #bands= 24 25) Finished k-point number 52 2 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 34) Finished k-point number 70 2 with #bands= 22 32) Finished k-point number 66 2 with #bands= 24 35) Finished k-point number 71 1 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 30) Finished k-point number 61 1 with #bands= 22 28) Finished k-point number 57 1 with #bands= 24 30) Finished k-point number 62 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 29) Finished k-point number 59 1 with #bands= 24 29) Finished k-point number 60 2 with #bands= 24 31) Finished k-point number 63 1 with #bands= 22 31) Finished k-point number 64 2 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.956002021052255 0.954128662236547 0) Finished k-point number 1 1 with #bands= 26 3) Finished k-point number 7 1 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 11) Finished k-point number 23 1 with #bands= 22 21) Finished k-point number 43 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 18) Finished k-point number 37 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 2) Finished k-point number 5 1 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 5) Finished k-point number 11 1 with #bands= 26 4) Finished k-point number 9 1 with #bands= 26 19) Finished k-point number 39 1 with #bands= 24 30) Finished k-point number 61 1 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 31) Finished k-point number 63 1 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 23) Finished k-point number 47 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 26 25) Finished k-point number 51 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 26 26) Finished k-point number 53 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 26 35) Finished k-point number 71 1 with #bands= 22 28) Finished k-point number 57 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 26 34) Finished k-point number 69 1 with #bands= 22 27) Finished k-point number 55 1 with #bands= 24 29) Finished k-point number 59 1 with #bands= 24 32) Finished k-point number 65 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 24) Finished k-point number 49 1 with #bands= 26 33) Finished k-point number 67 1 with #bands= 24 19) Finished k-point number 40 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 22 20) Finished k-point number 42 2 with #bands= 22 6) Finished k-point number 14 2 with #bands= 24 0) Finished k-point number 2 2 with #bands= 26 11) Finished k-point number 24 2 with #bands= 24 3) Finished k-point number 8 2 with #bands= 26 15) Finished k-point number 32 2 with #bands= 24 31) Finished k-point number 64 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 2) Finished k-point number 6 2 with #bands= 24 23) Finished k-point number 48 2 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 21) Finished k-point number 44 2 with #bands= 26 25) Finished k-point number 52 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 5) Finished k-point number 12 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 7) Finished k-point number 16 2 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 14) Finished k-point number 30 2 with #bands= 24 34) Finished k-point number 70 2 with #bands= 22 26) Finished k-point number 54 2 with #bands= 24 17) Finished k-point number 36 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 29) Finished k-point number 60 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 32) Finished k-point number 66 2 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 26 24) Finished k-point number 50 2 with #bands= 24 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 8.71635719724506 Density= 12.0016671655486 EF 8.44424336513148 Density= 11.4570773247693 Brent's Method Step XA XB F(XA) F(XB) 0 0.64064049 0.62064050 0.166717E-02 -0.542923 1 0.64057927 0.64064049 -0.167331E-02 0.166717E-02 2 0.64060988 0.64064030 -0.308095E-03 0.166717E-02 3 0.64061568 0.64060988 0.662302E-04 -0.308095E-03 4 0.64061466 0.64061568 -0.170862E-05 0.662302E-04 5 0.64061468 0.64061568 -0.725747E-08 0.662302E-04 6 0.64061468 0.64061568 -0.156319E-12 0.662302E-04 Absolute convergence of |F(X)|. Difference in EF= -0.0003511733 EF set to : 8.7160060240 new EF (no-mixing): 8.7160060240 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 41 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 23) Finished k-point 47 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 2) Finished k-point 5 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 39 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 25) Finished k-point 51 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 53 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 5) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 28) Finished k-point 57 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 67 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 27 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 14) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 17) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 49 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 42 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 31) Finished k-point 64 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 15) Finished k-point 32 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 60 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 2) Finished k-point 6 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 5) Finished k-point 12 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 10) Finished k-point 22 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 14) Finished k-point 30 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 17) Finished k-point 36 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 20 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 28 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -141.384323648302 eV Ratio to renormalize= 1.00000000000040 nargs= 1 argi=dmft2.def Emin,Emax= 0.1826481164 1.0646319273 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.71600602398711 13) Finished k-point number 27 1 with #bands= 26 15) Finished k-point number 31 1 with #bands= 22 13) Finished k-point number 28 2 with #bands= 26 15) Finished k-point number 32 2 with #bands= 24 1) Finished k-point number 3 1 with #bands= 26 2) Finished k-point number 5 1 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 9) Finished k-point number 19 1 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 10) Finished k-point number 21 1 with #bands= 26 2) Finished k-point number 6 2 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 9) Finished k-point number 20 2 with #bands= 26 14) Finished k-point number 29 1 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 14) Finished k-point number 30 2 with #bands= 24 21) Finished k-point number 43 1 with #bands= 20 7) Finished k-point number 15 1 with #bands= 24 5) Finished k-point number 11 1 with #bands= 26 21) Finished k-point number 44 2 with #bands= 26 sumw= 1728.00000000000 7) Finished k-point number 16 2 with #bands= 26 8) Finished k-point number 17 1 with #bands= 26 5) Finished k-point number 12 2 with #bands= 24 20) Finished k-point number 41 1 with #bands= 22 4) Finished k-point number 9 1 with #bands= 26 20) Finished k-point number 42 2 with #bands= 22 4) Finished k-point number 10 2 with #bands= 26 3) Finished k-point number 7 1 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 8) Finished k-point number 18 2 with #bands= 26 16) Finished k-point number 33 1 with #bands= 24 3) Finished k-point number 8 2 with #bands= 26 30) Finished k-point number 61 1 with #bands= 22 24) Finished k-point number 49 1 with #bands= 26 19) Finished k-point number 39 1 with #bands= 24 31) Finished k-point number 63 1 with #bands= 22 6) Finished k-point number 14 2 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 30) Finished k-point number 62 2 with #bands= 22 23) Finished k-point number 47 1 with #bands= 24 31) Finished k-point number 64 2 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 22) Finished k-point number 46 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 23) Finished k-point number 48 2 with #bands= 22 28) Finished k-point number 57 1 with #bands= 24 28) Finished k-point number 58 2 with #bands= 22 26) Finished k-point number 53 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 26 25) Finished k-point number 51 1 with #bands= 24 29) Finished k-point number 59 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 18) Finished k-point number 37 1 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 17) Finished k-point number 36 2 with #bands= 24 29) Finished k-point number 60 2 with #bands= 24 0) Finished k-point number 2 2 with #bands= 26 18) Finished k-point number 38 2 with #bands= 22 11) Finished k-point number 23 1 with #bands= 22 26) Finished k-point number 54 2 with #bands= 24 11) Finished k-point number 24 2 with #bands= 24 33) Finished k-point number 67 1 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 34) Finished k-point number 69 1 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 32) Finished k-point number 66 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 35) Finished k-point number 71 1 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.956003760810432 0.954116402834655 0) Finished k-point number 1 1 with #bands= 26 3) Finished k-point number 7 1 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 21) Finished k-point number 43 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 18) Finished k-point number 37 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 2) Finished k-point number 5 1 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 5) Finished k-point number 11 1 with #bands= 26 9) Finished k-point number 19 1 with #bands= 26 19) Finished k-point number 39 1 with #bands= 24 30) Finished k-point number 61 1 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 31) Finished k-point number 63 1 with #bands= 22 10) Finished k-point number 21 1 with #bands= 26 23) Finished k-point number 47 1 with #bands= 24 28) Finished k-point number 57 1 with #bands= 24 25) Finished k-point number 51 1 with #bands= 24 26) Finished k-point number 53 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 26 35) Finished k-point number 71 1 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 17) Finished k-point number 35 1 with #bands= 26 14) Finished k-point number 29 1 with #bands= 26 27) Finished k-point number 55 1 with #bands= 24 29) Finished k-point number 59 1 with #bands= 24 32) Finished k-point number 65 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 33) Finished k-point number 67 1 with #bands= 24 24) Finished k-point number 49 1 with #bands= 26 6) Finished k-point number 14 2 with #bands= 24 20) Finished k-point number 42 2 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 3) Finished k-point number 8 2 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 11) Finished k-point number 24 2 with #bands= 24 15) Finished k-point number 32 2 with #bands= 24 31) Finished k-point number 64 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 2) Finished k-point number 6 2 with #bands= 24 21) Finished k-point number 44 2 with #bands= 26 28) Finished k-point number 58 2 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 35) Finished k-point number 72 2 with #bands= 22 5) Finished k-point number 12 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 34) Finished k-point number 70 2 with #bands= 22 7) Finished k-point number 16 2 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 17) Finished k-point number 36 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 14) Finished k-point number 30 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 29) Finished k-point number 60 2 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 4) Finished k-point number 10 2 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 32) Finished k-point number 66 2 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 26 24) Finished k-point number 50 2 with #bands= 24 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 8.71600602398711 Density= 11.9996422938515 EF 8.98811985610069 Density= 12.5244447746672 Brent's Method Step XA XB F(XA) F(XB) 0 0.66061468 0.64061468 0.524445 -0.357706E-03 1 0.65061468 0.64061470 0.234782 -0.357706E-03 2 0.64561469 0.64061493 0.138176 -0.357706E-03 3 0.64311481 0.64061458 0.700177E-01 -0.357706E-03 4 0.64186470 0.64061476 0.401243E-01 -0.357706E-03 5 0.64123973 0.64061491 0.160579E-01 -0.357706E-03 6 0.64092732 0.64061459 0.354812E-02 -0.357706E-03 7 0.64077095 0.64061451 0.507697E-02 -0.357706E-03 8 0.64069273 0.64061455 0.341524E-02 -0.357706E-03 9 0.64065364 0.64061453 0.205814E-02 -0.357706E-03 10 0.64063409 0.64061454 0.932755E-03 -0.357706E-03 11 0.64062431 0.64061454 0.276387E-03 -0.357706E-03 12 0.64062009 0.64062431 -0.777514E-05 0.276387E-03 13 0.64062021 0.64062431 -0.896619E-07 0.276387E-03 14 0.64062021 0.64062021 0.106528E-10 -0.896619E-07 Absolute convergence of |F(X)|. Difference in EF= 0.0000751653 EF set to : 8.7160811893 new EF (no-mixing): 8.7160811893 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 41 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 30) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 23) Finished k-point 47 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 25) Finished k-point 51 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 53 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 2) Finished k-point 5 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 28) Finished k-point 57 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 67 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 10) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 27 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 14) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 17) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 22) Finished k-point 45 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 49 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 42 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 31) Finished k-point 64 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 32 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 11) Finished k-point 24 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 29) Finished k-point 60 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 2) Finished k-point 6 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 66 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 5) Finished k-point 12 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 22 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 14) Finished k-point 30 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 17) Finished k-point 36 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 20 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 28 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -141.376588670162 eV Ratio to renormalize= 0.999999999999497 nargs= 1 argi=dmft2.def Emin,Emax= 0.1826481164 1.0646319273 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.71608118932679 6) Finished k-point number 13 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 6) Finished k-point number 14 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 2) Finished k-point number 5 1 with #bands= 26 2) Finished k-point number 6 2 with #bands= 24 sumw= 1728.00000000000 7) Finished k-point number 15 1 with #bands= 24 7) Finished k-point number 16 2 with #bands= 26 4) Finished k-point number 9 1 with #bands= 26 3) Finished k-point number 7 1 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 8) Finished k-point number 17 1 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 3) Finished k-point number 8 2 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 5) Finished k-point number 11 1 with #bands= 26 5) Finished k-point number 12 2 with #bands= 24 12) Finished k-point number 25 1 with #bands= 24 23) Finished k-point number 47 1 with #bands= 24 20) Finished k-point number 41 1 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 13) Finished k-point number 27 1 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 14) Finished k-point number 29 1 with #bands= 26 23) Finished k-point number 48 2 with #bands= 22 13) Finished k-point number 28 2 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 22) Finished k-point number 45 1 with #bands= 26 14) Finished k-point number 30 2 with #bands= 24 15) Finished k-point number 31 1 with #bands= 22 10) Finished k-point number 21 1 with #bands= 26 11) Finished k-point number 23 1 with #bands= 22 15) Finished k-point number 32 2 with #bands= 24 10) Finished k-point number 22 2 with #bands= 24 11) Finished k-point number 24 2 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 20) Finished k-point number 42 2 with #bands= 22 24) Finished k-point number 49 1 with #bands= 26 30) Finished k-point number 61 1 with #bands= 22 17) Finished k-point number 35 1 with #bands= 26 28) Finished k-point number 57 1 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 18) Finished k-point number 37 1 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 17) Finished k-point number 36 2 with #bands= 24 19) Finished k-point number 39 1 with #bands= 24 26) Finished k-point number 53 1 with #bands= 24 18) Finished k-point number 38 2 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 28) Finished k-point number 58 2 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 26) Finished k-point number 54 2 with #bands= 24 31) Finished k-point number 63 1 with #bands= 22 21) Finished k-point number 43 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 24 31) Finished k-point number 64 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 27) Finished k-point number 56 2 with #bands= 24 25) Finished k-point number 51 1 with #bands= 24 29) Finished k-point number 59 1 with #bands= 24 33) Finished k-point number 67 1 with #bands= 24 25) Finished k-point number 52 2 with #bands= 22 29) Finished k-point number 60 2 with #bands= 24 34) Finished k-point number 69 1 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 32) Finished k-point number 66 2 with #bands= 24 35) Finished k-point number 71 1 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.955997418722622 0.954115788734848 3) Finished k-point number 7 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 11) Finished k-point number 23 1 with #bands= 22 21) Finished k-point number 43 1 with #bands= 20 15) Finished k-point number 31 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 18) Finished k-point number 37 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 2) Finished k-point number 5 1 with #bands= 26 16) Finished k-point number 33 1 with #bands= 24 5) Finished k-point number 11 1 with #bands= 26 4) Finished k-point number 9 1 with #bands= 26 19) Finished k-point number 39 1 with #bands= 24 9) Finished k-point number 19 1 with #bands= 26 30) Finished k-point number 61 1 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 10) Finished k-point number 21 1 with #bands= 26 23) Finished k-point number 47 1 with #bands= 24 25) Finished k-point number 51 1 with #bands= 24 26) Finished k-point number 53 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 26 17) Finished k-point number 35 1 with #bands= 26 34) Finished k-point number 69 1 with #bands= 22 28) Finished k-point number 57 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 26 27) Finished k-point number 55 1 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 35) Finished k-point number 71 1 with #bands= 22 29) Finished k-point number 59 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 32) Finished k-point number 65 1 with #bands= 24 24) Finished k-point number 49 1 with #bands= 26 6) Finished k-point number 14 2 with #bands= 24 18) Finished k-point number 38 2 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 24 3) Finished k-point number 8 2 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 15) Finished k-point number 32 2 with #bands= 24 31) Finished k-point number 64 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 2) Finished k-point number 6 2 with #bands= 24 23) Finished k-point number 48 2 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 25) Finished k-point number 52 2 with #bands= 22 5) Finished k-point number 12 2 with #bands= 24 28) Finished k-point number 58 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 33) Finished k-point number 67 1 with #bands= 24 7) Finished k-point number 16 2 with #bands= 26 16) Finished k-point number 34 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 17) Finished k-point number 36 2 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 26) Finished k-point number 54 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 14) Finished k-point number 30 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 29) Finished k-point number 60 2 with #bands= 24 9) Finished k-point number 20 2 with #bands= 26 22) Finished k-point number 46 2 with #bands= 24 32) Finished k-point number 66 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 26 24) Finished k-point number 50 2 with #bands= 24 8) Finished k-point number 18 2 with #bands= 26 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 8.71608118932679 Density= 11.9998293030873 EF 8.98819502144037 Density= 12.5258627983812 Brent's Method Step XA XB F(XA) F(XB) 0 0.66062021 0.64062021 0.525863 -0.170697E-03 1 0.65062021 0.64062023 0.234554 -0.170697E-03 2 0.64562022 0.64061998 0.138010 -0.170697E-03 3 0.64312010 0.64062010 0.699156E-01 -0.170697E-03 4 0.64187010 0.64062004 0.400802E-01 -0.170697E-03 5 0.64124507 0.64061983 0.160972E-01 -0.170697E-03 6 0.64093245 0.64061994 0.347439E-02 -0.170697E-03 7 0.64077620 0.64062012 0.512935E-02 -0.170697E-03 8 0.64069816 0.64061979 0.346118E-02 -0.170697E-03 9 0.64065898 0.64061996 0.218038E-02 -0.170697E-03 10 0.64063947 0.64061988 0.111093E-02 -0.170697E-03 11 0.64062967 0.64061992 0.464704E-03 -0.170697E-03 12 0.64062479 0.64062013 0.134103E-03 -0.170697E-03 13 0.64062279 0.64062479 -0.557830E-06 0.134103E-03 14 0.64062280 0.64062479 -0.337932E-08 0.134103E-03 15 0.64062280 0.64062280 0.328950E-08 -0.337932E-08 16 0.64062280 0.64062280 -0.337932E-08 0.328950E-08 17 0.64062280 0.64062280 -0.337932E-08 0.328950E-08 Absolute convergence of the X interval. Difference in EF= 0.0000351953 EF set to : 8.7161163846 new EF (no-mixing): 8.7161163846 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 41 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 47 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 39 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 25) Finished k-point 51 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 53 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 2) Finished k-point 5 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 28) Finished k-point 57 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 67 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 27 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 17) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 14) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 49 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 42 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 31) Finished k-point 64 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 15) Finished k-point 32 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 60 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 2) Finished k-point 6 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 12 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 17) Finished k-point 36 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 22 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 14) Finished k-point 30 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 20 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 28 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -141.372761493193 eV Ratio to renormalize= 1.00000000028198 nargs= 1 argi=dmft2.def Emin,Emax= 0.1826481164 1.0646319273 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.71611638461821 2) Finished k-point number 5 1 with #bands= 26 3) Finished k-point number 7 1 with #bands= 22 2) Finished k-point number 6 2 with #bands= 24 9) Finished k-point number 19 1 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 8) Finished k-point number 17 1 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 3) Finished k-point number 8 2 with #bands= 26 5) Finished k-point number 11 1 with #bands= 26 5) Finished k-point number 12 2 with #bands= 24 7) Finished k-point number 15 1 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 7) Finished k-point number 16 2 with #bands= 26 6) Finished k-point number 14 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 1) Finished k-point number 3 1 with #bands= 26 sumw= 1728.00000000000 1) Finished k-point number 4 2 with #bands= 26 10) Finished k-point number 21 1 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 18) Finished k-point number 37 1 with #bands= 22 17) Finished k-point number 35 1 with #bands= 26 19) Finished k-point number 39 1 with #bands= 24 18) Finished k-point number 38 2 with #bands= 22 17) Finished k-point number 36 2 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 19) Finished k-point number 40 2 with #bands= 20 16) Finished k-point number 34 2 with #bands= 24 26) Finished k-point number 53 1 with #bands= 24 24) Finished k-point number 49 1 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 26) Finished k-point number 54 2 with #bands= 24 0) Finished k-point number 2 2 with #bands= 26 24) Finished k-point number 50 2 with #bands= 24 13) Finished k-point number 27 1 with #bands= 26 13) Finished k-point number 28 2 with #bands= 26 29) Finished k-point number 59 1 with #bands= 24 28) Finished k-point number 57 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 26 20) Finished k-point number 41 1 with #bands= 22 29) Finished k-point number 60 2 with #bands= 24 25) Finished k-point number 51 1 with #bands= 24 14) Finished k-point number 30 2 with #bands= 24 20) Finished k-point number 42 2 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 27) Finished k-point number 55 1 with #bands= 24 28) Finished k-point number 58 2 with #bands= 22 11) Finished k-point number 23 1 with #bands= 22 27) Finished k-point number 56 2 with #bands= 24 34) Finished k-point number 69 1 with #bands= 22 11) Finished k-point number 24 2 with #bands= 24 34) Finished k-point number 70 2 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 22) Finished k-point number 45 1 with #bands= 26 30) Finished k-point number 61 1 with #bands= 22 31) Finished k-point number 64 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 22) Finished k-point number 46 2 with #bands= 24 32) Finished k-point number 65 1 with #bands= 24 21) Finished k-point number 43 1 with #bands= 20 32) Finished k-point number 66 2 with #bands= 24 12) Finished k-point number 25 1 with #bands= 24 21) Finished k-point number 44 2 with #bands= 26 35) Finished k-point number 71 1 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 35) Finished k-point number 72 2 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 33) Finished k-point number 67 1 with #bands= 24 15) Finished k-point number 32 2 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 23) Finished k-point number 47 1 with #bands= 24 23) Finished k-point number 48 2 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.955995339356279 0.954118716123484 0) Finished k-point number 1 1 with #bands= 26 3) Finished k-point number 7 1 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 21) Finished k-point number 43 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 20) Finished k-point number 41 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 2) Finished k-point number 5 1 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 5) Finished k-point number 11 1 with #bands= 26 4) Finished k-point number 9 1 with #bands= 26 16) Finished k-point number 33 1 with #bands= 24 19) Finished k-point number 39 1 with #bands= 24 30) Finished k-point number 61 1 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 31) Finished k-point number 63 1 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 10) Finished k-point number 21 1 with #bands= 26 23) Finished k-point number 47 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 26 25) Finished k-point number 51 1 with #bands= 24 28) Finished k-point number 57 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 26 26) Finished k-point number 53 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 26 34) Finished k-point number 69 1 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 27) Finished k-point number 55 1 with #bands= 24 29) Finished k-point number 59 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 32) Finished k-point number 65 1 with #bands= 24 24) Finished k-point number 49 1 with #bands= 26 18) Finished k-point number 38 2 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 24 20) Finished k-point number 42 2 with #bands= 22 0) Finished k-point number 2 2 with #bands= 26 11) Finished k-point number 24 2 with #bands= 24 3) Finished k-point number 8 2 with #bands= 26 15) Finished k-point number 32 2 with #bands= 24 31) Finished k-point number 64 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 2) Finished k-point number 6 2 with #bands= 24 21) Finished k-point number 44 2 with #bands= 26 12) Finished k-point number 26 2 with #bands= 24 25) Finished k-point number 52 2 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 5) Finished k-point number 12 2 with #bands= 24 28) Finished k-point number 58 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 33) Finished k-point number 67 1 with #bands= 24 34) Finished k-point number 70 2 with #bands= 22 7) Finished k-point number 16 2 with #bands= 26 16) Finished k-point number 34 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 17) Finished k-point number 36 2 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 14) Finished k-point number 30 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 29) Finished k-point number 60 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 22) Finished k-point number 46 2 with #bands= 24 32) Finished k-point number 66 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 26 24) Finished k-point number 50 2 with #bands= 24 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 8.71611638461821 Density= 12.0000132767782 EF 8.44400255250462 Density= 11.4554539149205 Brent's Method Step XA XB F(XA) F(XB) 0 0.64062280 0.62062280 0.132769E-04 -0.544546 1 0.64062231 0.64062280 -0.193286E-04 0.132769E-04 2 0.64062255 0.64062278 -0.303910E-05 0.132769E-04 3 0.64062260 0.64062278 -0.134376E-06 0.132769E-04 4 0.64062260 0.64062278 -0.134554E-08 0.132769E-04 5 0.64062260 0.64062260 0.534365E-08 -0.134554E-08 6 0.64062260 0.64062260 0.534365E-08 -0.134554E-08 Absolute convergence of the X interval. Difference in EF= -0.0000026978 EF set to : 8.7161136868 new EF (no-mixing): 8.7161136868 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 39 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 20) Finished k-point 41 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 30) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 47 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 53 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 25) Finished k-point 51 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 2) Finished k-point 5 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 5) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 28) Finished k-point 57 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 67 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 10) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 27 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 17) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 14) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 49 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 42 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 31) Finished k-point 64 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 15) Finished k-point 32 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 60 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 2) Finished k-point 6 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 5) Finished k-point 12 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 66 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 17) Finished k-point 36 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 22 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 14) Finished k-point 30 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 20 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 28 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -141.373694670117 eV Ratio to renormalize= 0.999999999555070 nargs= 1 argi=dmft2.def Emin,Emax= 0.1826481164 1.0646319273 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.71611368678590 9) Finished k-point number 19 1 with #bands= 26 10) Finished k-point number 21 1 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 3) Finished k-point number 7 1 with #bands= 22 11) Finished k-point number 23 1 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 3) Finished k-point number 8 2 with #bands= 26 2) Finished k-point number 5 1 with #bands= 26 14) Finished k-point number 29 1 with #bands= 26 11) Finished k-point number 24 2 with #bands= 24 7) Finished k-point number 15 1 with #bands= 24 8) Finished k-point number 18 2 with #bands= 26 14) Finished k-point number 30 2 with #bands= 24 2) Finished k-point number 6 2 with #bands= 24 12) Finished k-point number 25 1 with #bands= 24 7) Finished k-point number 16 2 with #bands= 26 12) Finished k-point number 26 2 with #bands= 24 13) Finished k-point number 27 1 with #bands= 26 5) Finished k-point number 11 1 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 5) Finished k-point number 12 2 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 sumw= 1728.00000000000 6) Finished k-point number 14 2 with #bands= 24 15) Finished k-point number 32 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 22) Finished k-point number 45 1 with #bands= 26 22) Finished k-point number 46 2 with #bands= 24 1) Finished k-point number 3 1 with #bands= 26 21) Finished k-point number 43 1 with #bands= 20 1) Finished k-point number 4 2 with #bands= 26 21) Finished k-point number 44 2 with #bands= 26 23) Finished k-point number 47 1 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 23) Finished k-point number 48 2 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 18) Finished k-point number 38 2 with #bands= 22 17) Finished k-point number 35 1 with #bands= 26 20) Finished k-point number 41 1 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 17) Finished k-point number 36 2 with #bands= 24 29) Finished k-point number 59 1 with #bands= 24 31) Finished k-point number 64 2 with #bands= 22 20) Finished k-point number 42 2 with #bands= 22 19) Finished k-point number 39 1 with #bands= 24 29) Finished k-point number 60 2 with #bands= 24 34) Finished k-point number 69 1 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 30) Finished k-point number 61 1 with #bands= 22 28) Finished k-point number 57 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 30) Finished k-point number 62 2 with #bands= 22 24) Finished k-point number 49 1 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 27) Finished k-point number 55 1 with #bands= 24 28) Finished k-point number 58 2 with #bands= 22 27) Finished k-point number 56 2 with #bands= 24 25) Finished k-point number 51 1 with #bands= 24 25) Finished k-point number 52 2 with #bands= 22 24) Finished k-point number 50 2 with #bands= 24 26) Finished k-point number 53 1 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 35) Finished k-point number 71 1 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 33) Finished k-point number 67 1 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 32) Finished k-point number 66 2 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.955998595978776 0.954118253869806 0) Finished k-point number 1 1 with #bands= 26 3) Finished k-point number 7 1 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 21) Finished k-point number 43 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 20) Finished k-point number 41 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 2) Finished k-point number 5 1 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 5) Finished k-point number 11 1 with #bands= 26 4) Finished k-point number 9 1 with #bands= 26 19) Finished k-point number 39 1 with #bands= 24 9) Finished k-point number 19 1 with #bands= 26 30) Finished k-point number 61 1 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 23) Finished k-point number 47 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 26 25) Finished k-point number 51 1 with #bands= 24 28) Finished k-point number 57 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 26 17) Finished k-point number 35 1 with #bands= 26 34) Finished k-point number 69 1 with #bands= 22 26) Finished k-point number 53 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 26 35) Finished k-point number 71 1 with #bands= 22 29) Finished k-point number 59 1 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 32) Finished k-point number 65 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 33) Finished k-point number 67 1 with #bands= 24 24) Finished k-point number 49 1 with #bands= 26 19) Finished k-point number 40 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 24 18) Finished k-point number 38 2 with #bands= 22 20) Finished k-point number 42 2 with #bands= 22 0) Finished k-point number 2 2 with #bands= 26 11) Finished k-point number 24 2 with #bands= 24 3) Finished k-point number 8 2 with #bands= 26 15) Finished k-point number 32 2 with #bands= 24 31) Finished k-point number 64 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 2) Finished k-point number 6 2 with #bands= 24 23) Finished k-point number 48 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 5) Finished k-point number 12 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 7) Finished k-point number 16 2 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 17) Finished k-point number 36 2 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 14) Finished k-point number 30 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 29) Finished k-point number 60 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 22) Finished k-point number 46 2 with #bands= 24 32) Finished k-point number 66 2 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 26 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 8.71611368678590 Density= 12.0000362566844 EF 8.44399985467231 Density= 11.4554832216989 Brent's Method Step XA XB F(XA) F(XB) 0 0.64062260 0.62062260 0.362568E-04 -0.544517 1 0.64062127 0.64062260 -0.527851E-04 0.362568E-04 2 0.64062193 0.64062222 -0.836401E-05 0.362568E-04 3 0.64062199 0.64062222 -0.474825E-05 0.362568E-04 4 0.64062205 0.64062222 -0.548964E-06 0.362568E-04 5 0.64062206 0.64062222 -0.436838E-07 0.362568E-04 6 0.64062206 0.64062222 -0.453714E-09 0.362568E-04 7 0.64062206 0.64062206 0.623960E-08 -0.453714E-09 8 0.64062206 0.64062206 0.623960E-08 -0.453714E-09 Absolute convergence of the X interval. Difference in EF= -0.0000073565 EF set to : 8.7161063302 new EF (no-mixing): 8.7161063302 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 41 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 47 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 2) Finished k-point 5 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 39 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 51 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 53 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 28) Finished k-point 57 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 67 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 10) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 27 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 17) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 14) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 22) Finished k-point 45 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 49 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 20) Finished k-point 42 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 64 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 11) Finished k-point 24 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 15) Finished k-point 32 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 60 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 2) Finished k-point 6 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 12 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 17) Finished k-point 36 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 22 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 14) Finished k-point 30 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 20 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 28 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -141.375009112422 eV Ratio to renormalize= 0.999999999480420 nargs= 1 argi=dmft2.def Emin,Emax= 0.1826481164 1.0646319273 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.71610633024021 5) Finished k-point number 11 1 with #bands= 26 sumw= 1728.00000000000 5) Finished k-point number 12 2 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 19 1 with #bands= 26 10) Finished k-point number 21 1 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 1) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 7 1 with #bands= 22 10) Finished k-point number 22 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 3) Finished k-point number 8 2 with #bands= 26 13) Finished k-point number 27 1 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 13) Finished k-point number 28 2 with #bands= 26 2) Finished k-point number 5 1 with #bands= 26 8) Finished k-point number 17 1 with #bands= 26 6) Finished k-point number 14 2 with #bands= 24 7) Finished k-point number 15 1 with #bands= 24 2) Finished k-point number 6 2 with #bands= 24 8) Finished k-point number 18 2 with #bands= 26 11) Finished k-point number 23 1 with #bands= 22 7) Finished k-point number 16 2 with #bands= 26 15) Finished k-point number 31 1 with #bands= 22 11) Finished k-point number 24 2 with #bands= 24 15) Finished k-point number 32 2 with #bands= 24 17) Finished k-point number 35 1 with #bands= 26 19) Finished k-point number 39 1 with #bands= 24 17) Finished k-point number 36 2 with #bands= 24 12) Finished k-point number 25 1 with #bands= 24 19) Finished k-point number 40 2 with #bands= 20 12) Finished k-point number 26 2 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 14) Finished k-point number 29 1 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 14) Finished k-point number 30 2 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 20) Finished k-point number 41 1 with #bands= 22 16) Finished k-point number 33 1 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 23) Finished k-point number 47 1 with #bands= 24 23) Finished k-point number 48 2 with #bands= 22 22) Finished k-point number 46 2 with #bands= 24 20) Finished k-point number 42 2 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 27) Finished k-point number 55 1 with #bands= 24 24) Finished k-point number 49 1 with #bands= 26 27) Finished k-point number 56 2 with #bands= 24 31) Finished k-point number 63 1 with #bands= 22 28) Finished k-point number 57 1 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 30) Finished k-point number 61 1 with #bands= 22 31) Finished k-point number 64 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 29) Finished k-point number 59 1 with #bands= 24 35) Finished k-point number 71 1 with #bands= 22 25) Finished k-point number 51 1 with #bands= 24 29) Finished k-point number 60 2 with #bands= 24 26) Finished k-point number 53 1 with #bands= 24 35) Finished k-point number 72 2 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 26) Finished k-point number 54 2 with #bands= 24 33) Finished k-point number 67 1 with #bands= 24 34) Finished k-point number 69 1 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 21) Finished k-point number 43 1 with #bands= 20 32) Finished k-point number 66 2 with #bands= 24 21) Finished k-point number 44 2 with #bands= 26 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.956006083285437 0.954113118528355 3) Finished k-point number 7 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 21) Finished k-point number 43 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 20) Finished k-point number 41 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 2) Finished k-point number 5 1 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 5) Finished k-point number 11 1 with #bands= 26 16) Finished k-point number 33 1 with #bands= 24 19) Finished k-point number 39 1 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 30) Finished k-point number 61 1 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 23) Finished k-point number 47 1 with #bands= 24 31) Finished k-point number 63 1 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 10) Finished k-point number 21 1 with #bands= 26 26) Finished k-point number 53 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 26 25) Finished k-point number 51 1 with #bands= 24 28) Finished k-point number 57 1 with #bands= 24 34) Finished k-point number 69 1 with #bands= 22 14) Finished k-point number 29 1 with #bands= 26 17) Finished k-point number 35 1 with #bands= 26 35) Finished k-point number 71 1 with #bands= 22 29) Finished k-point number 59 1 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 32) Finished k-point number 65 1 with #bands= 24 33) Finished k-point number 67 1 with #bands= 24 24) Finished k-point number 49 1 with #bands= 26 19) Finished k-point number 40 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 22 6) Finished k-point number 14 2 with #bands= 24 20) Finished k-point number 42 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 24 3) Finished k-point number 8 2 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 15) Finished k-point number 32 2 with #bands= 24 30) Finished k-point number 62 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 23) Finished k-point number 48 2 with #bands= 22 2) Finished k-point number 6 2 with #bands= 24 5) Finished k-point number 12 2 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 25) Finished k-point number 52 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 7) Finished k-point number 16 2 with #bands= 26 16) Finished k-point number 34 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 17) Finished k-point number 36 2 with #bands= 24 14) Finished k-point number 30 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 29) Finished k-point number 60 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 8) Finished k-point number 18 2 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 22) Finished k-point number 46 2 with #bands= 24 32) Finished k-point number 66 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 26 24) Finished k-point number 50 2 with #bands= 24 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 8.71610633024021 Density= 12.0000177949406 EF 8.44399249812663 Density= 11.4554341410160 Brent's Method Step XA XB F(XA) F(XB) 0 0.64062206 0.62062206 0.177950E-04 -0.544566 1 0.64062140 0.64062206 -0.258772E-04 0.177950E-04 2 0.64062173 0.64062188 -0.406543E-05 0.177950E-04 3 0.64062176 0.64062188 -0.219846E-05 0.177950E-04 4 0.64062179 0.64062188 -0.241547E-06 0.177950E-04 5 0.64062179 0.64062188 -0.173942E-07 0.177950E-04 6 0.64062179 0.64062188 -0.154271E-09 0.177950E-04 7 0.64062179 0.64062179 0.653080E-08 -0.154271E-09 8 0.64062179 0.64062179 0.653080E-08 -0.154271E-09 Absolute convergence of the X interval. Difference in EF= -0.0000036170 EF set to : 8.7161027133 new EF (no-mixing): 8.7161027133 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 41 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 30) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 23) Finished k-point 47 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 26) Finished k-point 53 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 25) Finished k-point 51 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 2) Finished k-point 5 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 28) Finished k-point 57 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 67 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 10) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 27 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 17) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 14) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 49 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 42 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 31) Finished k-point 64 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 11) Finished k-point 24 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 15) Finished k-point 32 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 60 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 2) Finished k-point 6 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 5) Finished k-point 12 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 66 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 17) Finished k-point 36 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 22 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 14) Finished k-point 30 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 20 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 28 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -141.375350201187 eV Ratio to renormalize= 0.999999999456117 nargs= 1 argi=dmft2.def Emin,Emax= 0.1826481164 1.0646319273 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.71610271325110 2) Finished k-point number 5 1 with #bands= 26 3) Finished k-point number 7 1 with #bands= 22 sumw= 1728.00000000000 2) Finished k-point number 6 2 with #bands= 24 3) Finished k-point number 8 2 with #bands= 26 1) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 14) Finished k-point number 29 1 with #bands= 26 15) Finished k-point number 31 1 with #bands= 22 14) Finished k-point number 30 2 with #bands= 24 15) Finished k-point number 32 2 with #bands= 24 9) Finished k-point number 19 1 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 5) Finished k-point number 11 1 with #bands= 26 12) Finished k-point number 26 2 with #bands= 24 11) Finished k-point number 23 1 with #bands= 22 10) Finished k-point number 22 2 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 11) Finished k-point number 24 2 with #bands= 24 0) Finished k-point number 2 2 with #bands= 26 13) Finished k-point number 27 1 with #bands= 26 5) Finished k-point number 12 2 with #bands= 24 7) Finished k-point number 15 1 with #bands= 24 8) Finished k-point number 18 2 with #bands= 26 13) Finished k-point number 28 2 with #bands= 26 7) Finished k-point number 16 2 with #bands= 26 4) Finished k-point number 9 1 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 6) Finished k-point number 14 2 with #bands= 24 17) Finished k-point number 35 1 with #bands= 26 17) Finished k-point number 36 2 with #bands= 24 28) Finished k-point number 57 1 with #bands= 24 31) Finished k-point number 63 1 with #bands= 22 19) Finished k-point number 39 1 with #bands= 24 19) Finished k-point number 40 2 with #bands= 20 16) Finished k-point number 33 1 with #bands= 24 31) Finished k-point number 64 2 with #bands= 22 25) Finished k-point number 51 1 with #bands= 24 28) Finished k-point number 58 2 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 25) Finished k-point number 52 2 with #bands= 22 21) Finished k-point number 43 1 with #bands= 20 27) Finished k-point number 55 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 18) Finished k-point number 37 1 with #bands= 22 27) Finished k-point number 56 2 with #bands= 24 18) Finished k-point number 38 2 with #bands= 22 26) Finished k-point number 53 1 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 21) Finished k-point number 44 2 with #bands= 26 30) Finished k-point number 61 1 with #bands= 22 24) Finished k-point number 49 1 with #bands= 26 30) Finished k-point number 62 2 with #bands= 22 29) Finished k-point number 59 1 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 29) Finished k-point number 60 2 with #bands= 24 20) Finished k-point number 41 1 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 20) Finished k-point number 42 2 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 34) Finished k-point number 69 1 with #bands= 22 33) Finished k-point number 67 1 with #bands= 24 34) Finished k-point number 70 2 with #bands= 22 32) Finished k-point number 66 2 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 23) Finished k-point number 47 1 with #bands= 24 23) Finished k-point number 48 2 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.955998965237561 0.954118338103012 3) Finished k-point number 7 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 21) Finished k-point number 43 1 with #bands= 20 6) Finished k-point number 13 1 with #bands= 22 11) Finished k-point number 23 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 7) Finished k-point number 15 1 with #bands= 24 2) Finished k-point number 5 1 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 5) Finished k-point number 11 1 with #bands= 26 30) Finished k-point number 61 1 with #bands= 22 19) Finished k-point number 39 1 with #bands= 24 31) Finished k-point number 63 1 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 8) Finished k-point number 17 1 with #bands= 26 16) Finished k-point number 33 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 26 25) Finished k-point number 51 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 26 34) Finished k-point number 69 1 with #bands= 22 28) Finished k-point number 57 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 26 35) Finished k-point number 71 1 with #bands= 22 23) Finished k-point number 47 1 with #bands= 24 26) Finished k-point number 53 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 26 29) Finished k-point number 59 1 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 32) Finished k-point number 65 1 with #bands= 24 33) Finished k-point number 67 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 24) Finished k-point number 49 1 with #bands= 26 3) Finished k-point number 8 2 with #bands= 26 19) Finished k-point number 40 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 6) Finished k-point number 14 2 with #bands= 24 11) Finished k-point number 24 2 with #bands= 24 0) Finished k-point number 2 2 with #bands= 26 15) Finished k-point number 32 2 with #bands= 24 30) Finished k-point number 62 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 2) Finished k-point number 6 2 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 25) Finished k-point number 52 2 with #bands= 22 5) Finished k-point number 12 2 with #bands= 24 28) Finished k-point number 58 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 1) Finished k-point number 4 2 with #bands= 26 7) Finished k-point number 16 2 with #bands= 26 17) Finished k-point number 36 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 14) Finished k-point number 30 2 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 26) Finished k-point number 54 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 29) Finished k-point number 60 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 8) Finished k-point number 18 2 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 32) Finished k-point number 66 2 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 26 24) Finished k-point number 50 2 with #bands= 24 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 8.71610271325110 Density= 12.0000216342590 EF 8.44398888113752 Density= 11.4553959257765 Brent's Method Step XA XB F(XA) F(XB) 0 0.64062179 0.62062179 0.216344E-04 -0.544604 1 0.64062100 0.64062179 -0.312822E-04 0.216344E-04 2 0.64062139 0.64062195 -0.486261E-05 0.216344E-04 3 0.64062150 0.64062139 0.194987E-05 -0.486261E-05 4 0.64062147 0.64062150 -0.517584E-09 0.194987E-05 5 0.64062147 0.64062147 0.614683E-08 -0.517584E-09 6 0.64062147 0.64062147 0.614683E-08 -0.517584E-09 Absolute convergence of the X interval. Difference in EF= -0.0000044104 EF set to : 8.7160983029 new EF (no-mixing): 8.7160983029 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 41 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 47 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 2) Finished k-point 5 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 39 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 25) Finished k-point 51 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 53 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 28) Finished k-point 57 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 67 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 27 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 17) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 14) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 10) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 49 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 42 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 31) Finished k-point 64 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 11) Finished k-point 24 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 15) Finished k-point 32 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 2) Finished k-point 6 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 60 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 12 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 17) Finished k-point 36 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 14) Finished k-point 30 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 22 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 20 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 28 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -141.375257936734 eV Ratio to renormalize= 0.999999999488136 nargs= 1 argi=dmft2.def Emin,Emax= 0.1826481164 1.0646319273 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.71609830285314 10) Finished k-point number 21 1 with #bands= 26 8) Finished k-point number 17 1 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 7) Finished k-point number 15 1 with #bands= 24 7) Finished k-point number 16 2 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 6) Finished k-point number 14 2 with #bands= 24 5) Finished k-point number 11 1 with #bands= 26 4) Finished k-point number 9 1 with #bands= 26 13) Finished k-point number 27 1 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 5) Finished k-point number 12 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 13) Finished k-point number 28 2 with #bands= 26 12) Finished k-point number 26 2 with #bands= 24 1) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 sumw= 1728.00000000000 3) Finished k-point number 7 1 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 3) Finished k-point number 8 2 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 11) Finished k-point number 23 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 14) Finished k-point number 29 1 with #bands= 26 11) Finished k-point number 24 2 with #bands= 24 15) Finished k-point number 32 2 with #bands= 24 14) Finished k-point number 30 2 with #bands= 24 2) Finished k-point number 5 1 with #bands= 26 2) Finished k-point number 6 2 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 16) Finished k-point number 33 1 with #bands= 24 21) Finished k-point number 43 1 with #bands= 20 22) Finished k-point number 46 2 with #bands= 24 21) Finished k-point number 44 2 with #bands= 26 16) Finished k-point number 34 2 with #bands= 24 19) Finished k-point number 39 1 with #bands= 24 20) Finished k-point number 41 1 with #bands= 22 17) Finished k-point number 35 1 with #bands= 26 19) Finished k-point number 40 2 with #bands= 20 17) Finished k-point number 36 2 with #bands= 24 20) Finished k-point number 42 2 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 23) Finished k-point number 47 1 with #bands= 24 0) Finished k-point number 2 2 with #bands= 26 18) Finished k-point number 37 1 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 26) Finished k-point number 53 1 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 28) Finished k-point number 57 1 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 31) Finished k-point number 63 1 with #bands= 22 31) Finished k-point number 64 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 24) Finished k-point number 49 1 with #bands= 26 24) Finished k-point number 50 2 with #bands= 24 35) Finished k-point number 71 1 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 33) Finished k-point number 67 1 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 32) Finished k-point number 66 2 with #bands= 24 25) Finished k-point number 51 1 with #bands= 24 25) Finished k-point number 52 2 with #bands= 22 30) Finished k-point number 61 1 with #bands= 22 29) Finished k-point number 59 1 with #bands= 24 34) Finished k-point number 69 1 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 29) Finished k-point number 60 2 with #bands= 24 34) Finished k-point number 70 2 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.956005907141749 0.954113107405746 3) Finished k-point number 7 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 21) Finished k-point number 43 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 1) Finished k-point number 3 1 with #bands= 26 2) Finished k-point number 5 1 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 5) Finished k-point number 11 1 with #bands= 26 19) Finished k-point number 39 1 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 30) Finished k-point number 61 1 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 31) Finished k-point number 63 1 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 23) Finished k-point number 47 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 26 13) Finished k-point number 27 1 with #bands= 26 26) Finished k-point number 53 1 with #bands= 24 25) Finished k-point number 51 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 26 28) Finished k-point number 57 1 with #bands= 24 35) Finished k-point number 71 1 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 27) Finished k-point number 55 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 26 29) Finished k-point number 59 1 with #bands= 24 32) Finished k-point number 65 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 33) Finished k-point number 67 1 with #bands= 24 24) Finished k-point number 49 1 with #bands= 26 19) Finished k-point number 40 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 24 18) Finished k-point number 38 2 with #bands= 22 20) Finished k-point number 42 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 24 3) Finished k-point number 8 2 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 15) Finished k-point number 32 2 with #bands= 24 30) Finished k-point number 62 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 22 2) Finished k-point number 6 2 with #bands= 24 21) Finished k-point number 44 2 with #bands= 26 23) Finished k-point number 48 2 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 5) Finished k-point number 12 2 with #bands= 24 28) Finished k-point number 58 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 34) Finished k-point number 70 2 with #bands= 22 1) Finished k-point number 4 2 with #bands= 26 7) Finished k-point number 16 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 17) Finished k-point number 36 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 14) Finished k-point number 30 2 with #bands= 24 29) Finished k-point number 60 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 32) Finished k-point number 66 2 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 26 24) Finished k-point number 50 2 with #bands= 24 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 8.71609830285314 Density= 11.9999818929196 EF 8.98821213496672 Density= 12.5259063495613 Brent's Method Step XA XB F(XA) F(XB) 0 0.66062147 0.64062147 0.525906 -0.181070E-04 1 0.65062147 0.64062149 0.234610 -0.181070E-04 2 0.64562148 0.64062124 0.138060 -0.181070E-04 3 0.64312136 0.64062136 0.699811E-01 -0.181070E-04 4 0.64187136 0.64062130 0.401074E-01 -0.181070E-04 5 0.64124633 0.64062157 0.161570E-01 -0.181070E-04 6 0.64093395 0.64062120 0.347579E-02 -0.181070E-04 7 0.64077757 0.64062162 0.518780E-02 -0.181070E-04 8 0.64069960 0.64062165 0.351819E-02 -0.181070E-04 9 0.64066062 0.64062140 0.230393E-02 -0.181070E-04 10 0.64064101 0.64062152 0.127375E-02 -0.181070E-04 11 0.64063126 0.64062146 0.644256E-03 -0.181070E-04 12 0.64062636 0.64062125 0.312107E-03 -0.181070E-04 13 0.64062381 0.64062159 0.138909E-03 -0.181070E-04 14 0.64062270 0.64062142 0.643798E-04 -0.181070E-04 15 0.64062206 0.64062127 0.215626E-04 -0.181070E-04 16 0.64062166 0.64062175 -0.488334E-05 0.215626E-04 17 0.64062168 0.64062175 -0.388576E-05 0.215626E-04 18 0.64062171 0.64062175 -0.168296E-05 0.215626E-04 19 0.64062173 0.64062175 -0.581367E-06 0.215626E-04 20 0.64062174 0.64062175 -0.399492E-07 0.215626E-04 21 0.64062174 0.64062175 -0.102066E-08 0.215626E-04 22 0.64062174 0.64062174 0.565394E-08 -0.102066E-08 23 0.64062174 0.64062174 0.565394E-08 -0.102066E-08 Absolute convergence of the X interval. Difference in EF= 0.0000036956 EF set to : 8.7161019984 new EF (no-mixing): 8.7161019984 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 41 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 47 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 2) Finished k-point 5 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 28) Finished k-point 57 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 5) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 53 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 25) Finished k-point 51 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 67 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 10) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 27 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 17) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 14) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 49 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 42 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 31) Finished k-point 64 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 11) Finished k-point 24 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 15) Finished k-point 32 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 2) Finished k-point 6 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 60 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 66 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 5) Finished k-point 12 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 22 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 17) Finished k-point 36 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 14) Finished k-point 30 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 20 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 28 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -141.375218716654 eV Ratio to renormalize= 0.999999999529181 nargs= 1 argi=dmft2.def Emin,Emax= 0.1826481164 1.0646319273 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 4) Finished k-point number 9 1 with #bands= 26 Found EF.dat and EF is 8.71610199841018 4) Finished k-point number 10 2 with #bands= 26 5) Finished k-point number 11 1 with #bands= 26 5) Finished k-point number 12 2 with #bands= 24 7) Finished k-point number 15 1 with #bands= 24 6) Finished k-point number 13 1 with #bands= 22 7) Finished k-point number 16 2 with #bands= 26 1) Finished k-point number 3 1 with #bands= 26 6) Finished k-point number 14 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 3) Finished k-point number 7 1 with #bands= 22 sumw= 1728.00000000000 3) Finished k-point number 8 2 with #bands= 26 13) Finished k-point number 27 1 with #bands= 26 13) Finished k-point number 28 2 with #bands= 26 12) Finished k-point number 26 2 with #bands= 24 2) Finished k-point number 5 1 with #bands= 26 2) Finished k-point number 6 2 with #bands= 24 20) Finished k-point number 41 1 with #bands= 22 10) Finished k-point number 21 1 with #bands= 26 9) Finished k-point number 19 1 with #bands= 26 16) Finished k-point number 33 1 with #bands= 24 10) Finished k-point number 22 2 with #bands= 24 19) Finished k-point number 39 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 15) Finished k-point number 31 1 with #bands= 22 14) Finished k-point number 29 1 with #bands= 26 18) Finished k-point number 37 1 with #bands= 22 21) Finished k-point number 43 1 with #bands= 20 21) Finished k-point number 44 2 with #bands= 26 20) Finished k-point number 42 2 with #bands= 22 15) Finished k-point number 32 2 with #bands= 24 14) Finished k-point number 30 2 with #bands= 24 19) Finished k-point number 40 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 22 17) Finished k-point number 36 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 28) Finished k-point number 57 1 with #bands= 24 29) Finished k-point number 59 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 22) Finished k-point number 46 2 with #bands= 24 0) Finished k-point number 2 2 with #bands= 26 29) Finished k-point number 60 2 with #bands= 24 28) Finished k-point number 58 2 with #bands= 22 11) Finished k-point number 23 1 with #bands= 22 11) Finished k-point number 24 2 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 24) Finished k-point number 49 1 with #bands= 26 24) Finished k-point number 50 2 with #bands= 24 26) Finished k-point number 53 1 with #bands= 24 30) Finished k-point number 61 1 with #bands= 22 26) Finished k-point number 54 2 with #bands= 24 30) Finished k-point number 62 2 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 25) Finished k-point number 51 1 with #bands= 24 32) Finished k-point number 65 1 with #bands= 24 31) Finished k-point number 64 2 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 25) Finished k-point number 52 2 with #bands= 22 8) Finished k-point number 18 2 with #bands= 26 23) Finished k-point number 47 1 with #bands= 24 23) Finished k-point number 48 2 with #bands= 22 32) Finished k-point number 66 2 with #bands= 24 33) Finished k-point number 67 1 with #bands= 24 34) Finished k-point number 69 1 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.956011537496099 0.954108723078662 0) Finished k-point number 1 1 with #bands= 26 3) Finished k-point number 7 1 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 21) Finished k-point number 43 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 18) Finished k-point number 37 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 2) Finished k-point number 5 1 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 5) Finished k-point number 11 1 with #bands= 26 4) Finished k-point number 9 1 with #bands= 26 19) Finished k-point number 39 1 with #bands= 24 9) Finished k-point number 19 1 with #bands= 26 30) Finished k-point number 61 1 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 31) Finished k-point number 63 1 with #bands= 22 23) Finished k-point number 47 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 26 13) Finished k-point number 27 1 with #bands= 26 25) Finished k-point number 51 1 with #bands= 24 28) Finished k-point number 57 1 with #bands= 24 34) Finished k-point number 69 1 with #bands= 22 17) Finished k-point number 35 1 with #bands= 26 14) Finished k-point number 29 1 with #bands= 26 35) Finished k-point number 71 1 with #bands= 22 26) Finished k-point number 53 1 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 29) Finished k-point number 59 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 32) Finished k-point number 65 1 with #bands= 24 24) Finished k-point number 49 1 with #bands= 26 33) Finished k-point number 67 1 with #bands= 24 19) Finished k-point number 40 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 24 18) Finished k-point number 38 2 with #bands= 22 0) Finished k-point number 2 2 with #bands= 26 20) Finished k-point number 42 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 24 3) Finished k-point number 8 2 with #bands= 26 15) Finished k-point number 32 2 with #bands= 24 31) Finished k-point number 64 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 2) Finished k-point number 6 2 with #bands= 24 21) Finished k-point number 44 2 with #bands= 26 23) Finished k-point number 48 2 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 35) Finished k-point number 72 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 5) Finished k-point number 12 2 with #bands= 24 7) Finished k-point number 16 2 with #bands= 26 16) Finished k-point number 34 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 17) Finished k-point number 36 2 with #bands= 24 14) Finished k-point number 30 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 29) Finished k-point number 60 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 9) Finished k-point number 20 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 22) Finished k-point number 46 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 26 24) Finished k-point number 50 2 with #bands= 24 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 34) Finished k-point number 70 2 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 32) Finished k-point number 66 2 with #bands= 24 EF 8.71610199841018 Density= 12.0000014742450 EF 8.44398816629659 Density= 11.4553608129766 Brent's Method Step XA XB F(XA) F(XB) 0 0.64062174 0.62062174 0.147434E-05 -0.544639 1 0.64062168 0.64062174 -0.214627E-05 0.147434E-05 2 0.64062171 0.64062168 -0.336134E-06 0.147434E-05 3 0.64062171 0.64062168 -0.672257E-06 0.147434E-05 4 0.64062169 0.64062168 -0.140929E-05 0.147434E-05 5 0.64062169 0.64062168 -0.177779E-05 0.147434E-05 6 0.64062169 0.64062169 -0.196203E-05 0.147435E-05 7 0.64062169 0.64062169 -0.186991E-05 0.147435E-05 8 0.64062169 0.64062169 -0.191597E-05 0.147435E-05 9 0.64062169 0.64062169 -0.189294E-05 0.147434E-05 10 0.64062169 0.64062169 -0.190446E-05 0.147435E-05 11 0.64062169 0.64062169 -0.189963E-05 0.147435E-05 Absolute convergence of the X interval. Difference in EF= -0.0000006874 EF set to : 8.7161013110 new EF (no-mixing): 8.7161013110 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 41 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 30) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 25) Finished k-point 51 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 26) Finished k-point 53 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 2) Finished k-point 5 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 47 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 28) Finished k-point 57 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 5) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 10) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 27 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 67 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 17) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 14) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 49 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 42 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 6) Finished k-point 14 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 64 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 15) Finished k-point 32 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 2) Finished k-point 6 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 60 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 12 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 22 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 17) Finished k-point 36 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 14) Finished k-point 30 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 20 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 28 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -141.375150460604 eV Ratio to renormalize= 1.00000015870524 nargs= 1 argi=dmft2.def Emin,Emax= 0.1826481164 1.0646319273 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.71610131100257 sumw= 1728.00000000000 5) Finished k-point number 11 1 with #bands= 26 5) Finished k-point number 12 2 with #bands= 24 1) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 2) Finished k-point number 5 1 with #bands= 26 2) Finished k-point number 6 2 with #bands= 24 7) Finished k-point number 15 1 with #bands= 24 3) Finished k-point number 7 1 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 7) Finished k-point number 16 2 with #bands= 26 3) Finished k-point number 8 2 with #bands= 26 11) Finished k-point number 23 1 with #bands= 22 9) Finished k-point number 20 2 with #bands= 26 11) Finished k-point number 24 2 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 0) Finished k-point number 2 2 with #bands= 26 20) Finished k-point number 41 1 with #bands= 22 6) Finished k-point number 14 2 with #bands= 24 14) Finished k-point number 29 1 with #bands= 26 15) Finished k-point number 31 1 with #bands= 22 14) Finished k-point number 30 2 with #bands= 24 17) Finished k-point number 35 1 with #bands= 26 20) Finished k-point number 42 2 with #bands= 22 16) Finished k-point number 33 1 with #bands= 24 15) Finished k-point number 32 2 with #bands= 24 12) Finished k-point number 25 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 26 10) Finished k-point number 21 1 with #bands= 26 4) Finished k-point number 9 1 with #bands= 26 12) Finished k-point number 26 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 17) Finished k-point number 36 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 21) Finished k-point number 43 1 with #bands= 20 19) Finished k-point number 39 1 with #bands= 24 21) Finished k-point number 44 2 with #bands= 26 18) Finished k-point number 37 1 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 22 22) Finished k-point number 45 1 with #bands= 26 22) Finished k-point number 46 2 with #bands= 24 23) Finished k-point number 47 1 with #bands= 24 8) Finished k-point number 17 1 with #bands= 26 23) Finished k-point number 48 2 with #bands= 22 8) Finished k-point number 18 2 with #bands= 26 25) Finished k-point number 51 1 with #bands= 24 30) Finished k-point number 61 1 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 31) Finished k-point number 64 2 with #bands= 22 27) Finished k-point number 55 1 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 24) Finished k-point number 49 1 with #bands= 26 24) Finished k-point number 50 2 with #bands= 24 29) Finished k-point number 59 1 with #bands= 24 28) Finished k-point number 57 1 with #bands= 24 29) Finished k-point number 60 2 with #bands= 24 28) Finished k-point number 58 2 with #bands= 22 26) Finished k-point number 53 1 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 32) Finished k-point number 65 1 with #bands= 24 34) Finished k-point number 69 1 with #bands= 22 33) Finished k-point number 67 1 with #bands= 24 34) Finished k-point number 70 2 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 32) Finished k-point number 66 2 with #bands= 24 35) Finished k-point number 71 1 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.956018317660194 0.954103711073039 3) Finished k-point number 7 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 21) Finished k-point number 43 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 20) Finished k-point number 41 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 2) Finished k-point number 5 1 with #bands= 26 16) Finished k-point number 33 1 with #bands= 24 5) Finished k-point number 11 1 with #bands= 26 4) Finished k-point number 9 1 with #bands= 26 19) Finished k-point number 39 1 with #bands= 24 9) Finished k-point number 19 1 with #bands= 26 30) Finished k-point number 61 1 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 23) Finished k-point number 47 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 26 28) Finished k-point number 57 1 with #bands= 24 25) Finished k-point number 51 1 with #bands= 24 26) Finished k-point number 53 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 26 13) Finished k-point number 27 1 with #bands= 26 34) Finished k-point number 69 1 with #bands= 22 14) Finished k-point number 29 1 with #bands= 26 27) Finished k-point number 55 1 with #bands= 24 29) Finished k-point number 59 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 24) Finished k-point number 49 1 with #bands= 26 6) Finished k-point number 14 2 with #bands= 24 18) Finished k-point number 38 2 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 24 3) Finished k-point number 8 2 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 15) Finished k-point number 32 2 with #bands= 24 31) Finished k-point number 64 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 21) Finished k-point number 44 2 with #bands= 26 25) Finished k-point number 52 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 2) Finished k-point number 6 2 with #bands= 24 5) Finished k-point number 12 2 with #bands= 24 7) Finished k-point number 16 2 with #bands= 26 16) Finished k-point number 34 2 with #bands= 24 35) Finished k-point number 71 1 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 33) Finished k-point number 67 1 with #bands= 24 32) Finished k-point number 65 1 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 17) Finished k-point number 36 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 14) Finished k-point number 30 2 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 29) Finished k-point number 60 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 32) Finished k-point number 66 2 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 26 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 8.71610131100257 Density= 11.9999889615170 EF 8.98821514311615 Density= 12.5261319235079 Brent's Method Step XA XB F(XA) F(XB) 0 0.66062169 0.64062169 0.526132 -0.110384E-04 1 0.65062169 0.64062171 0.234564 -0.110384E-04 2 0.64562170 0.64062194 0.138027 -0.110384E-04 3 0.64312182 0.64062206 0.700157E-01 -0.110384E-04 4 0.64187194 0.64062176 0.401098E-01 -0.110384E-04 5 0.64124685 0.64062167 0.161690E-01 -0.110384E-04 6 0.64093426 0.64062171 0.347355E-02 -0.110384E-04 7 0.64077799 0.64062193 0.519484E-02 -0.110384E-04 8 0.64069996 0.64062206 0.352277E-02 -0.110384E-04 9 0.64066101 0.64062176 0.231582E-02 -0.110384E-04 10 0.64064138 0.64062191 0.129033E-02 -0.110384E-04 11 0.64063165 0.64062183 0.662854E-03 -0.110384E-04 12 0.64062674 0.64062211 0.330470E-03 -0.110384E-04 13 0.64062443 0.64062197 0.173230E-03 -0.110384E-04 14 0.64062320 0.64062204 0.903407E-04 -0.110384E-04 15 0.64062262 0.64062177 0.513972E-04 -0.110384E-04 16 0.64062219 0.64062167 0.228247E-04 -0.110384E-04 17 0.64062193 0.64062172 0.515754E-05 -0.110384E-04 18 0.64062186 0.64062172 0.746166E-06 -0.110384E-04 19 0.64062185 0.64062172 0.396363E-07 -0.110384E-04 20 0.64062185 0.64062172 0.445267E-09 -0.110384E-04 21 0.64062185 0.64062185 -0.623945E-08 0.445267E-09 22 0.64062185 0.64062185 -0.623945E-08 0.445267E-09 Absolute convergence of the X interval. Difference in EF= 0.0000022466 EF set to : 8.7161035576 new EF (no-mixing): 8.7161035576 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 41 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 47 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 2) Finished k-point 5 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 53 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 25) Finished k-point 51 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 28) Finished k-point 57 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 67 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 17) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 27 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 14) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 22) Finished k-point 45 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 49 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 42 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 31) Finished k-point 64 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 15) Finished k-point 32 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 60 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 2) Finished k-point 6 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 5) Finished k-point 12 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 22 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 17) Finished k-point 36 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 14) Finished k-point 30 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 20 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 28 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -141.375152216153 eV Ratio to renormalize= 1.00000000052033 nargs= 1 argi=dmft2.def Emin,Emax= 0.1826481164 1.0646319273 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.71610355756613 1) Finished k-point number 3 1 with #bands= 26 2) Finished k-point number 5 1 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 2) Finished k-point number 6 2 with #bands= 24 sumw= 1728.00000000000 3) Finished k-point number 7 1 with #bands= 22 5) Finished k-point number 11 1 with #bands= 26 5) Finished k-point number 12 2 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 10) Finished k-point number 21 1 with #bands= 26 3) Finished k-point number 8 2 with #bands= 26 11) Finished k-point number 23 1 with #bands= 22 10) Finished k-point number 22 2 with #bands= 24 11) Finished k-point number 24 2 with #bands= 24 6) Finished k-point number 13 1 with #bands= 22 6) Finished k-point number 14 2 with #bands= 24 7) Finished k-point number 15 1 with #bands= 24 9) Finished k-point number 19 1 with #bands= 26 7) Finished k-point number 16 2 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 8) Finished k-point number 17 1 with #bands= 26 16) Finished k-point number 33 1 with #bands= 24 8) Finished k-point number 18 2 with #bands= 26 17) Finished k-point number 35 1 with #bands= 26 17) Finished k-point number 36 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 22) Finished k-point number 46 2 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 15) Finished k-point number 31 1 with #bands= 22 14) Finished k-point number 29 1 with #bands= 26 23) Finished k-point number 47 1 with #bands= 24 18) Finished k-point number 37 1 with #bands= 22 14) Finished k-point number 30 2 with #bands= 24 15) Finished k-point number 32 2 with #bands= 24 18) Finished k-point number 38 2 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 19) Finished k-point number 39 1 with #bands= 24 19) Finished k-point number 40 2 with #bands= 20 13) Finished k-point number 27 1 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 21) Finished k-point number 43 1 with #bands= 20 13) Finished k-point number 28 2 with #bands= 26 12) Finished k-point number 26 2 with #bands= 24 21) Finished k-point number 44 2 with #bands= 26 24) Finished k-point number 49 1 with #bands= 26 24) Finished k-point number 50 2 with #bands= 24 28) Finished k-point number 57 1 with #bands= 24 29) Finished k-point number 59 1 with #bands= 24 29) Finished k-point number 60 2 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 28) Finished k-point number 58 2 with #bands= 22 27) Finished k-point number 56 2 with #bands= 24 20) Finished k-point number 41 1 with #bands= 22 26) Finished k-point number 53 1 with #bands= 24 20) Finished k-point number 42 2 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 30) Finished k-point number 61 1 with #bands= 22 33) Finished k-point number 67 1 with #bands= 24 30) Finished k-point number 62 2 with #bands= 22 32) Finished k-point number 66 2 with #bands= 24 34) Finished k-point number 69 1 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 31) Finished k-point number 64 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 25) Finished k-point number 51 1 with #bands= 24 25) Finished k-point number 52 2 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.956006154199846 0.954112717754245 0) Finished k-point number 1 1 with #bands= 26 3) Finished k-point number 7 1 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 21) Finished k-point number 43 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 18) Finished k-point number 37 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 2) Finished k-point number 5 1 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 5) Finished k-point number 11 1 with #bands= 26 19) Finished k-point number 39 1 with #bands= 24 9) Finished k-point number 19 1 with #bands= 26 30) Finished k-point number 61 1 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 10) Finished k-point number 21 1 with #bands= 26 23) Finished k-point number 47 1 with #bands= 24 26) Finished k-point number 53 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 26 28) Finished k-point number 57 1 with #bands= 24 35) Finished k-point number 71 1 with #bands= 22 25) Finished k-point number 51 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 26 14) Finished k-point number 29 1 with #bands= 26 27) Finished k-point number 55 1 with #bands= 24 29) Finished k-point number 59 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 34) Finished k-point number 69 1 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 33) Finished k-point number 67 1 with #bands= 24 24) Finished k-point number 49 1 with #bands= 26 19) Finished k-point number 40 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 24 18) Finished k-point number 38 2 with #bands= 22 20) Finished k-point number 42 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 24 0) Finished k-point number 2 2 with #bands= 26 3) Finished k-point number 8 2 with #bands= 26 15) Finished k-point number 32 2 with #bands= 24 31) Finished k-point number 64 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 2) Finished k-point number 6 2 with #bands= 24 23) Finished k-point number 48 2 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 35) Finished k-point number 72 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 5) Finished k-point number 12 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 7) Finished k-point number 16 2 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 17) Finished k-point number 36 2 with #bands= 24 14) Finished k-point number 30 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 27) Finished k-point number 56 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 29) Finished k-point number 60 2 with #bands= 24 9) Finished k-point number 20 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 22) Finished k-point number 46 2 with #bands= 24 32) Finished k-point number 66 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 26 24) Finished k-point number 50 2 with #bands= 24 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 8.71610355756613 Density= 12.0000168049131 EF 8.44398972545255 Density= 11.4553063509704 Brent's Method Step XA XB F(XA) F(XB) 0 0.64062185 0.62062185 0.168050E-04 -0.544694 1 0.64062124 0.64062185 -0.244569E-04 0.168050E-04 2 0.64062154 0.64062171 -0.384829E-05 0.168050E-04 3 0.64062158 0.64062171 -0.174881E-05 0.168050E-04 4 0.64062160 0.64062171 -0.164706E-06 0.168050E-04 5 0.64062160 0.64062171 -0.857944E-08 0.168050E-04 6 0.64062160 0.64062171 -0.461320E-10 0.168050E-04 Absolute convergence of |F(X)|. Difference in EF= -0.0000034147 EF set to : 8.7161001428 new EF (no-mixing): 8.7161001428 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 41 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 30) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 39 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 26) Finished k-point 53 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 25) Finished k-point 51 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 2) Finished k-point 5 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 47 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 28) Finished k-point 57 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 5) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 67 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 10) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 27 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 14) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 17) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 49 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 42 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 31) Finished k-point 64 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 32 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 2) Finished k-point 6 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 60 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 12 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 22 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 17) Finished k-point 36 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 14) Finished k-point 30 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 20 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 28 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -141.375108729753 eV Ratio to renormalize= 1.00000000000426 nargs= 1 argi=dmft2.def 5) Finished k-point number 11 1 with #bands= 26 7) Finished k-point number 15 1 with #bands= 24 5) Finished k-point number 12 2 with #bands= 24 7) Finished k-point number 16 2 with #bands= 26 4) Finished k-point number 9 1 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 2) Finished k-point number 5 1 with #bands= 26 6) Finished k-point number 14 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 2) Finished k-point number 6 2 with #bands= 24 3) Finished k-point number 7 1 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 Emin,Emax= 0.1826481164 1.0646319273 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.71610014281700 12) Finished k-point number 25 1 with #bands= 24 11) Finished k-point number 23 1 with #bands= 22 10) Finished k-point number 21 1 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 9) Finished k-point number 19 1 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 8) Finished k-point number 17 1 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 11) Finished k-point number 24 2 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 14) Finished k-point number 29 1 with #bands= 26 14) Finished k-point number 30 2 with #bands= 24 24) Finished k-point number 49 1 with #bands= 26 27) Finished k-point number 55 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 26 24) Finished k-point number 50 2 with #bands= 24 1) Finished k-point number 3 1 with #bands= 26 15) Finished k-point number 31 1 with #bands= 22 27) Finished k-point number 56 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 15) Finished k-point number 32 2 with #bands= 24 21) Finished k-point number 43 1 with #bands= 20 20) Finished k-point number 41 1 with #bands= 22 17) Finished k-point number 35 1 with #bands= 26 21) Finished k-point number 44 2 with #bands= 26 25) Finished k-point number 51 1 with #bands= 24 17) Finished k-point number 36 2 with #bands= 24 sumw= 1728.00000000000 25) Finished k-point number 52 2 with #bands= 22 20) Finished k-point number 42 2 with #bands= 22 19) Finished k-point number 39 1 with #bands= 24 19) Finished k-point number 40 2 with #bands= 20 26) Finished k-point number 53 1 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 30) Finished k-point number 61 1 with #bands= 22 29) Finished k-point number 59 1 with #bands= 24 30) Finished k-point number 62 2 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 31) Finished k-point number 64 2 with #bands= 22 29) Finished k-point number 60 2 with #bands= 24 28) Finished k-point number 57 1 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 32) Finished k-point number 65 1 with #bands= 24 18) Finished k-point number 37 1 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 33) Finished k-point number 67 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 35) Finished k-point number 71 1 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 32) Finished k-point number 66 2 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 23) Finished k-point number 47 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 22) Finished k-point number 46 2 with #bands= 24 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 0) Finished k-point number 2 2 with #bands= 26 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.956013211539330 0.954107424850409 0) Finished k-point number 1 1 with #bands= 26 3) Finished k-point number 7 1 with #bands= 22 6) Finished k-point number 13 1 with #bands= 22 21) Finished k-point number 43 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 20) Finished k-point number 41 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 2) Finished k-point number 5 1 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 5) Finished k-point number 11 1 with #bands= 26 19) Finished k-point number 39 1 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 30) Finished k-point number 61 1 with #bands= 22 9) Finished k-point number 19 1 with #bands= 26 31) Finished k-point number 63 1 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 23) Finished k-point number 47 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 26 13) Finished k-point number 27 1 with #bands= 26 25) Finished k-point number 51 1 with #bands= 24 28) Finished k-point number 57 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 26 35) Finished k-point number 71 1 with #bands= 22 17) Finished k-point number 35 1 with #bands= 26 26) Finished k-point number 53 1 with #bands= 24 29) Finished k-point number 59 1 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 24) Finished k-point number 49 1 with #bands= 26 34) Finished k-point number 69 1 with #bands= 22 33) Finished k-point number 67 1 with #bands= 24 32) Finished k-point number 65 1 with #bands= 24 19) Finished k-point number 40 2 with #bands= 20 18) Finished k-point number 38 2 with #bands= 22 6) Finished k-point number 14 2 with #bands= 24 20) Finished k-point number 42 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 24 0) Finished k-point number 2 2 with #bands= 26 3) Finished k-point number 8 2 with #bands= 26 15) Finished k-point number 32 2 with #bands= 24 31) Finished k-point number 64 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 2) Finished k-point number 6 2 with #bands= 24 23) Finished k-point number 48 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 25) Finished k-point number 52 2 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 35) Finished k-point number 72 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 5) Finished k-point number 12 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 34) Finished k-point number 70 2 with #bands= 22 7) Finished k-point number 16 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 17) Finished k-point number 36 2 with #bands= 24 14) Finished k-point number 30 2 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 26) Finished k-point number 54 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 29) Finished k-point number 60 2 with #bands= 24 8) Finished k-point number 18 2 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 22) Finished k-point number 46 2 with #bands= 24 32) Finished k-point number 66 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 26 24) Finished k-point number 50 2 with #bands= 24 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 8.71610014281700 Density= 11.9999962301263 EF 8.98821397493058 Density= 12.5261695575043 Brent's Method Step XA XB F(XA) F(XB) 0 0.66062160 0.64062160 0.526170 -0.376977E-05 1 0.65062160 0.64062162 0.234569 -0.376977E-05 2 0.64562161 0.64062137 0.138013 -0.376977E-05 3 0.64312149 0.64062150 0.699695E-01 -0.376977E-05 4 0.64187149 0.64062143 0.401043E-01 -0.376977E-05 5 0.64124646 0.64062123 0.161608E-01 -0.376977E-05 6 0.64093385 0.64062133 0.347812E-02 -0.376977E-05 7 0.64077759 0.64062152 0.519587E-02 -0.376977E-05 8 0.64069955 0.64062119 0.352689E-02 -0.376977E-05 9 0.64066037 0.64062135 0.230087E-02 -0.376977E-05 10 0.64064086 0.64062127 0.127131E-02 -0.376977E-05 11 0.64063106 0.64062131 0.636663E-03 -0.376977E-05 12 0.64062619 0.64062153 0.305831E-03 -0.376977E-05 13 0.64062386 0.64062142 0.147803E-03 -0.376977E-05 14 0.64062264 0.64062147 0.656313E-04 -0.376977E-05 15 0.64062206 0.64062121 0.265743E-04 -0.376977E-05 16 0.64062163 0.64062168 -0.176666E-05 0.265743E-04 17 0.64062163 0.64062168 -0.154700E-05 0.265743E-04 18 0.64062166 0.64062168 -0.849731E-07 0.265743E-04 19 0.64062166 0.64062168 -0.434454E-08 0.265743E-04 20 0.64062166 0.64062166 0.233044E-08 -0.434454E-08 21 0.64062166 0.64062166 -0.434454E-08 0.233044E-08 22 0.64062166 0.64062166 -0.434454E-08 0.233044E-08 Absolute convergence of the X interval. Difference in EF= 0.0000007677 EF set to : 8.7161009105 new EF (no-mixing): 8.7161009105 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 41 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 19) Finished k-point 39 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 23) Finished k-point 47 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 25) Finished k-point 51 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 28) Finished k-point 57 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 26) Finished k-point 53 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 2) Finished k-point 5 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 5) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 67 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 27 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 10) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 14) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 17) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 49 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 42 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 31) Finished k-point 64 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 11) Finished k-point 24 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 15) Finished k-point 32 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 2) Finished k-point 6 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 60 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 12 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 22 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 17) Finished k-point 36 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 14) Finished k-point 30 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 20 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 28 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -141.375029279244 eV Ratio to renormalize= 1.00000000036241 nargs= 1 argi=dmft2.def Emin,Emax= 0.1826481164 1.0646319273 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.71610091048699 2) Finished k-point number 5 1 with #bands= 26 2) Finished k-point number 6 2 with #bands= 24 7) Finished k-point number 15 1 with #bands= 24 7) Finished k-point number 16 2 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 6) Finished k-point number 14 2 with #bands= 24 5) Finished k-point number 11 1 with #bands= 26 5) Finished k-point number 12 2 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 3) Finished k-point number 7 1 with #bands= 22 10) Finished k-point number 21 1 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 9) Finished k-point number 19 1 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 8) Finished k-point number 17 1 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 3) Finished k-point number 8 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 11) Finished k-point number 23 1 with #bands= 22 11) Finished k-point number 24 2 with #bands= 24 sumw= 1728.00000000000 1) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 20) Finished k-point number 41 1 with #bands= 22 12) Finished k-point number 25 1 with #bands= 24 18) Finished k-point number 37 1 with #bands= 22 13) Finished k-point number 27 1 with #bands= 26 14) Finished k-point number 29 1 with #bands= 26 16) Finished k-point number 33 1 with #bands= 24 15) Finished k-point number 31 1 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 13) Finished k-point number 28 2 with #bands= 26 12) Finished k-point number 26 2 with #bands= 24 14) Finished k-point number 30 2 with #bands= 24 19) Finished k-point number 39 1 with #bands= 24 15) Finished k-point number 32 2 with #bands= 24 19) Finished k-point number 40 2 with #bands= 20 21) Finished k-point number 43 1 with #bands= 20 21) Finished k-point number 44 2 with #bands= 26 20) Finished k-point number 42 2 with #bands= 22 28) Finished k-point number 57 1 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 17) Finished k-point number 35 1 with #bands= 26 17) Finished k-point number 36 2 with #bands= 24 29) Finished k-point number 59 1 with #bands= 24 29) Finished k-point number 60 2 with #bands= 24 28) Finished k-point number 58 2 with #bands= 22 22) Finished k-point number 45 1 with #bands= 26 22) Finished k-point number 46 2 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 23) Finished k-point number 47 1 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 0) Finished k-point number 2 2 with #bands= 26 23) Finished k-point number 48 2 with #bands= 22 24) Finished k-point number 49 1 with #bands= 26 26) Finished k-point number 53 1 with #bands= 24 25) Finished k-point number 51 1 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 31) Finished k-point number 63 1 with #bands= 22 24) Finished k-point number 50 2 with #bands= 24 25) Finished k-point number 52 2 with #bands= 22 30) Finished k-point number 61 1 with #bands= 22 31) Finished k-point number 64 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 35) Finished k-point number 71 1 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 69 1 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 33) Finished k-point number 67 1 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 32) Finished k-point number 66 2 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.956010654651191 0.954109284754037 3) Finished k-point number 7 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 21) Finished k-point number 43 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 20) Finished k-point number 41 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 2) Finished k-point number 5 1 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 5) Finished k-point number 11 1 with #bands= 26 16) Finished k-point number 33 1 with #bands= 24 19) Finished k-point number 39 1 with #bands= 24 9) Finished k-point number 19 1 with #bands= 26 31) Finished k-point number 63 1 with #bands= 22 30) Finished k-point number 61 1 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 23) Finished k-point number 47 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 26 25) Finished k-point number 51 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 26 28) Finished k-point number 57 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 26 26) Finished k-point number 53 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 26 34) Finished k-point number 69 1 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 27) Finished k-point number 55 1 with #bands= 24 29) Finished k-point number 59 1 with #bands= 24 32) Finished k-point number 65 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 33) Finished k-point number 67 1 with #bands= 24 24) Finished k-point number 49 1 with #bands= 26 19) Finished k-point number 40 2 with #bands= 20 20) Finished k-point number 42 2 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 6) Finished k-point number 14 2 with #bands= 24 3) Finished k-point number 8 2 with #bands= 26 11) Finished k-point number 24 2 with #bands= 24 0) Finished k-point number 2 2 with #bands= 26 15) Finished k-point number 32 2 with #bands= 24 31) Finished k-point number 64 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 2) Finished k-point number 6 2 with #bands= 24 23) Finished k-point number 48 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 25) Finished k-point number 52 2 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 28) Finished k-point number 58 2 with #bands= 22 5) Finished k-point number 12 2 with #bands= 24 34) Finished k-point number 70 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 7) Finished k-point number 16 2 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 16) Finished k-point number 34 2 with #bands= 24 10) Finished k-point number 22 2 with #bands= 24 17) Finished k-point number 36 2 with #bands= 24 14) Finished k-point number 30 2 with #bands= 24 33) Finished k-point number 68 2 with #bands= 22 27) Finished k-point number 56 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 29) Finished k-point number 60 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 32) Finished k-point number 66 2 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 26 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 8.71610091048699 Density= 11.9999781653766 EF 8.98821474260057 Density= 12.5262844501193 Brent's Method Step XA XB F(XA) F(XB) 0 0.66062166 0.64062166 0.526284 -0.218345E-04 1 0.65062166 0.64062120 0.234560 -0.218345E-04 2 0.64562143 0.64062143 0.137994 -0.218345E-04 3 0.64312143 0.64062131 0.699542E-01 -0.218345E-04 4 0.64187137 0.64062137 0.400895E-01 -0.218345E-04 5 0.64124637 0.64062158 0.161422E-01 -0.218345E-04 6 0.64093398 0.64062124 0.346633E-02 -0.218345E-04 7 0.64077761 0.64062165 0.517873E-02 -0.218345E-04 8 0.64069963 0.64062120 0.350970E-02 -0.218345E-04 9 0.64066042 0.64062143 0.228216E-02 -0.218345E-04 10 0.64064092 0.64062132 0.125330E-02 -0.218345E-04 11 0.64063112 0.64062137 0.618325E-03 -0.218345E-04 12 0.64062624 0.64062158 0.287796E-03 -0.218345E-04 13 0.64062391 0.64062148 0.129677E-03 -0.218345E-04 14 0.64062269 0.64062153 0.475768E-04 -0.218345E-04 15 0.64062211 0.64062126 0.849594E-05 -0.218345E-04 16 0.64062189 0.64062211 -0.626395E-05 0.849594E-05 17 0.64062198 0.64062211 -0.269513E-08 0.849594E-05 18 0.64062199 0.64062198 0.399121E-08 -0.269513E-08 19 0.64062199 0.64062199 0.399121E-08 -0.269513E-08 Absolute convergence of the X interval. Difference in EF= 0.0000044486 EF set to : 8.7161053591 new EF (no-mixing): 8.7161053591 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 41 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 30) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 47 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 2) Finished k-point 5 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 25) Finished k-point 51 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 53 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 28) Finished k-point 57 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 67 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 14) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 17) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 27 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 22) Finished k-point 45 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 49 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 42 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 31) Finished k-point 64 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 15) Finished k-point 32 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 60 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 2) Finished k-point 6 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 12 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 22 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 17) Finished k-point 36 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 14) Finished k-point 30 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 20 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 28 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -141.375047228690 eV Ratio to renormalize= 0.999999999667728 nargs= 1 argi=dmft2.def Emin,Emax= 0.1826481164 1.0646319273 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.71610535907618 1) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 3) Finished k-point number 7 1 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 2) Finished k-point number 5 1 with #bands= 26 11) Finished k-point number 23 1 with #bands= 22 10) Finished k-point number 21 1 with #bands= 26 2) Finished k-point number 6 2 with #bands= 24 11) Finished k-point number 24 2 with #bands= 24 10) Finished k-point number 22 2 with #bands= 24 sumw= 1728.00000000000 8) Finished k-point number 17 1 with #bands= 26 16) Finished k-point number 33 1 with #bands= 24 8) Finished k-point number 18 2 with #bands= 26 9) Finished k-point number 19 1 with #bands= 26 9) Finished k-point number 20 2 with #bands= 26 18) Finished k-point number 37 1 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 18) Finished k-point number 38 2 with #bands= 22 12) Finished k-point number 25 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 26 17) Finished k-point number 35 1 with #bands= 26 25) Finished k-point number 51 1 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 13) Finished k-point number 28 2 with #bands= 26 25) Finished k-point number 52 2 with #bands= 22 17) Finished k-point number 36 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 30) Finished k-point number 61 1 with #bands= 22 29) Finished k-point number 59 1 with #bands= 24 20) Finished k-point number 41 1 with #bands= 22 19) Finished k-point number 39 1 with #bands= 24 30) Finished k-point number 62 2 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 29) Finished k-point number 60 2 with #bands= 24 19) Finished k-point number 40 2 with #bands= 20 22) Finished k-point number 45 1 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 21) Finished k-point number 43 1 with #bands= 20 28) Finished k-point number 57 1 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 20) Finished k-point number 42 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 28) Finished k-point number 58 2 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 31) Finished k-point number 64 2 with #bands= 22 26) Finished k-point number 53 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 26 26) Finished k-point number 54 2 with #bands= 24 14) Finished k-point number 30 2 with #bands= 24 15) Finished k-point number 31 1 with #bands= 22 24) Finished k-point number 49 1 with #bands= 26 15) Finished k-point number 32 2 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 33) Finished k-point number 67 1 with #bands= 24 34) Finished k-point number 69 1 with #bands= 22 35) Finished k-point number 71 1 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 32) Finished k-point number 65 1 with #bands= 24 32) Finished k-point number 66 2 with #bands= 24 23) Finished k-point number 47 1 with #bands= 24 23) Finished k-point number 48 2 with #bands= 22 5) Finished k-point number 11 1 with #bands= 26 4) Finished k-point number 9 1 with #bands= 26 7) Finished k-point number 15 1 with #bands= 24 6) Finished k-point number 13 1 with #bands= 22 5) Finished k-point number 12 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 7) Finished k-point number 16 2 with #bands= 26 6) Finished k-point number 14 2 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.956004320941112 0.954113837804903 3) Finished k-point number 7 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 21) Finished k-point number 43 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 18) Finished k-point number 37 1 with #bands= 22 20) Finished k-point number 41 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 2) Finished k-point number 5 1 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 4) Finished k-point number 9 1 with #bands= 26 5) Finished k-point number 11 1 with #bands= 26 19) Finished k-point number 39 1 with #bands= 24 9) Finished k-point number 19 1 with #bands= 26 30) Finished k-point number 61 1 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 23) Finished k-point number 47 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 26 28) Finished k-point number 57 1 with #bands= 24 25) Finished k-point number 51 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 26 26) Finished k-point number 53 1 with #bands= 24 35) Finished k-point number 71 1 with #bands= 22 17) Finished k-point number 35 1 with #bands= 26 14) Finished k-point number 29 1 with #bands= 26 34) Finished k-point number 69 1 with #bands= 22 29) Finished k-point number 59 1 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 32) Finished k-point number 65 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 24) Finished k-point number 49 1 with #bands= 26 33) Finished k-point number 67 1 with #bands= 24 19) Finished k-point number 40 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 24 18) Finished k-point number 38 2 with #bands= 22 20) Finished k-point number 42 2 with #bands= 22 0) Finished k-point number 2 2 with #bands= 26 3) Finished k-point number 8 2 with #bands= 26 11) Finished k-point number 24 2 with #bands= 24 15) Finished k-point number 32 2 with #bands= 24 31) Finished k-point number 64 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 23) Finished k-point number 48 2 with #bands= 22 2) Finished k-point number 6 2 with #bands= 24 21) Finished k-point number 44 2 with #bands= 26 35) Finished k-point number 72 2 with #bands= 22 25) Finished k-point number 52 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 5) Finished k-point number 12 2 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 34) Finished k-point number 70 2 with #bands= 22 7) Finished k-point number 16 2 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 17) Finished k-point number 36 2 with #bands= 24 14) Finished k-point number 30 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 27) Finished k-point number 56 2 with #bands= 24 9) Finished k-point number 20 2 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 33) Finished k-point number 68 2 with #bands= 22 22) Finished k-point number 46 2 with #bands= 24 29) Finished k-point number 60 2 with #bands= 24 32) Finished k-point number 66 2 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 13) Finished k-point number 28 2 with #bands= 26 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 8.71610535907618 Density= 12.0000068804400 EF 8.44399152696259 Density= 11.4553330739295 Brent's Method Step XA XB F(XA) F(XB) 0 0.64062199 0.62062199 0.688054E-05 -0.544667 1 0.64062173 0.64062199 -0.998984E-05 0.688054E-05 2 0.64062186 0.64062173 -0.155841E-05 0.688054E-05 3 0.64062184 0.64062173 -0.311657E-05 0.688054E-05 4 0.64062178 0.64062173 -0.655384E-05 0.688054E-05 5 0.64062176 0.64062173 -0.827200E-05 0.688054E-05 6 0.64062175 0.64062176 -0.913096E-05 0.688054E-05 7 0.64062175 0.64062175 -0.870149E-05 0.688054E-05 8 0.64062175 0.64062175 -0.891623E-05 0.688054E-05 9 0.64062175 0.64062175 -0.880886E-05 0.688054E-05 10 0.64062175 0.64062175 -0.886254E-05 0.688054E-05 11 0.64062175 0.64062175 -0.883570E-05 0.688054E-05 12 0.64062175 0.64062175 -0.884912E-05 0.688054E-05 13 0.64062175 0.64062175 -0.884241E-05 0.688054E-05 14 0.64062175 0.64062175 -0.884245E-05 0.688054E-05 Absolute convergence of the X interval. Difference in EF= -0.0000032035 EF set to : 8.7161021556 new EF (no-mixing): 8.7161021556 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 41 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 30) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 28) Finished k-point 57 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 23) Finished k-point 47 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 2) Finished k-point 5 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 53 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 25) Finished k-point 51 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 67 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 27 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 17) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 14) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 49 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 42 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 31) Finished k-point 64 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 15) Finished k-point 32 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 2) Finished k-point 6 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 60 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 12 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 22 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 17) Finished k-point 36 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 14) Finished k-point 30 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 20 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 28 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -141.375030528528 eV Ratio to renormalize= 1.00000073686844 nargs= 1 argi=dmft2.def Emin,Emax= 0.1826481164 1.0646319273 imatsubara= 0 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 8.71610215561606 2) Finished k-point number 5 1 with #bands= 26 11) Finished k-point number 23 1 with #bands= 22 8) Finished k-point number 17 1 with #bands= 26 8) Finished k-point number 18 2 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 11) Finished k-point number 24 2 with #bands= 24 5) Finished k-point number 11 1 with #bands= 26 2) Finished k-point number 6 2 with #bands= 24 sumw= 1728.00000000000 1) Finished k-point number 3 1 with #bands= 26 6) Finished k-point number 14 2 with #bands= 24 5) Finished k-point number 12 2 with #bands= 24 1) Finished k-point number 4 2 with #bands= 26 4) Finished k-point number 9 1 with #bands= 26 4) Finished k-point number 10 2 with #bands= 26 7) Finished k-point number 15 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 9) Finished k-point number 19 1 with #bands= 26 7) Finished k-point number 16 2 with #bands= 26 23) Finished k-point number 47 1 with #bands= 24 22) Finished k-point number 46 2 with #bands= 24 9) Finished k-point number 20 2 with #bands= 26 10) Finished k-point number 21 1 with #bands= 26 12) Finished k-point number 25 1 with #bands= 24 23) Finished k-point number 48 2 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 10) Finished k-point number 22 2 with #bands= 24 3) Finished k-point number 7 1 with #bands= 22 12) Finished k-point number 26 2 with #bands= 24 15) Finished k-point number 32 2 with #bands= 24 20) Finished k-point number 41 1 with #bands= 22 3) Finished k-point number 8 2 with #bands= 26 13) Finished k-point number 27 1 with #bands= 26 20) Finished k-point number 42 2 with #bands= 22 13) Finished k-point number 28 2 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 25) Finished k-point number 51 1 with #bands= 24 27) Finished k-point number 55 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 25) Finished k-point number 52 2 with #bands= 22 27) Finished k-point number 56 2 with #bands= 24 14) Finished k-point number 30 2 with #bands= 24 31) Finished k-point number 63 1 with #bands= 22 17) Finished k-point number 35 1 with #bands= 26 17) Finished k-point number 36 2 with #bands= 24 31) Finished k-point number 64 2 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 30) Finished k-point number 61 1 with #bands= 22 18) Finished k-point number 38 2 with #bands= 22 28) Finished k-point number 57 1 with #bands= 24 30) Finished k-point number 62 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 29) Finished k-point number 59 1 with #bands= 24 29) Finished k-point number 60 2 with #bands= 24 26) Finished k-point number 53 1 with #bands= 24 16) Finished k-point number 33 1 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 24) Finished k-point number 49 1 with #bands= 26 32) Finished k-point number 65 1 with #bands= 24 16) Finished k-point number 34 2 with #bands= 24 33) Finished k-point number 67 1 with #bands= 24 19) Finished k-point number 39 1 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 34) Finished k-point number 69 1 with #bands= 22 33) Finished k-point number 68 2 with #bands= 22 34) Finished k-point number 70 2 with #bands= 22 19) Finished k-point number 40 2 with #bands= 20 32) Finished k-point number 66 2 with #bands= 24 35) Finished k-point number 71 1 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 21) Finished k-point number 43 1 with #bands= 20 21) Finished k-point number 44 2 with #bands= 26 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.955984768934700 0.954128517718714 3) Finished k-point number 7 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 13 1 with #bands= 22 21) Finished k-point number 43 1 with #bands= 20 11) Finished k-point number 23 1 with #bands= 22 15) Finished k-point number 31 1 with #bands= 22 7) Finished k-point number 15 1 with #bands= 24 20) Finished k-point number 41 1 with #bands= 22 18) Finished k-point number 37 1 with #bands= 22 1) Finished k-point number 3 1 with #bands= 26 2) Finished k-point number 5 1 with #bands= 26 16) Finished k-point number 33 1 with #bands= 24 5) Finished k-point number 11 1 with #bands= 26 19) Finished k-point number 39 1 with #bands= 24 12) Finished k-point number 25 1 with #bands= 24 30) Finished k-point number 61 1 with #bands= 22 31) Finished k-point number 63 1 with #bands= 22 4) Finished k-point number 9 1 with #bands= 26 8) Finished k-point number 17 1 with #bands= 26 23) Finished k-point number 47 1 with #bands= 24 10) Finished k-point number 21 1 with #bands= 26 9) Finished k-point number 19 1 with #bands= 26 25) Finished k-point number 51 1 with #bands= 24 13) Finished k-point number 27 1 with #bands= 26 28) Finished k-point number 57 1 with #bands= 24 34) Finished k-point number 69 1 with #bands= 22 26) Finished k-point number 53 1 with #bands= 24 14) Finished k-point number 29 1 with #bands= 26 35) Finished k-point number 71 1 with #bands= 22 27) Finished k-point number 55 1 with #bands= 24 17) Finished k-point number 35 1 with #bands= 26 29) Finished k-point number 59 1 with #bands= 24 22) Finished k-point number 45 1 with #bands= 26 32) Finished k-point number 65 1 with #bands= 24 24) Finished k-point number 49 1 with #bands= 26 33) Finished k-point number 67 1 with #bands= 24 19) Finished k-point number 40 2 with #bands= 20 6) Finished k-point number 14 2 with #bands= 24 18) Finished k-point number 38 2 with #bands= 22 20) Finished k-point number 42 2 with #bands= 22 11) Finished k-point number 24 2 with #bands= 24 3) Finished k-point number 8 2 with #bands= 26 0) Finished k-point number 2 2 with #bands= 26 15) Finished k-point number 32 2 with #bands= 24 31) Finished k-point number 64 2 with #bands= 22 30) Finished k-point number 62 2 with #bands= 22 2) Finished k-point number 6 2 with #bands= 24 23) Finished k-point number 48 2 with #bands= 22 21) Finished k-point number 44 2 with #bands= 26 25) Finished k-point number 52 2 with #bands= 22 28) Finished k-point number 58 2 with #bands= 22 5) Finished k-point number 12 2 with #bands= 24 34) Finished k-point number 70 2 with #bands= 22 35) Finished k-point number 72 2 with #bands= 22 16) Finished k-point number 34 2 with #bands= 24 12) Finished k-point number 26 2 with #bands= 24 7) Finished k-point number 16 2 with #bands= 26 1) Finished k-point number 4 2 with #bands= 26 10) Finished k-point number 22 2 with #bands= 24 26) Finished k-point number 54 2 with #bands= 24 27) Finished k-point number 56 2 with #bands= 24 14) Finished k-point number 30 2 with #bands= 24 17) Finished k-point number 36 2 with #bands= 24 8) Finished k-point number 18 2 with #bands= 26 29) Finished k-point number 60 2 with #bands= 24 4) Finished k-point number 10 2 with #bands= 26 33) Finished k-point number 68 2 with #bands= 22 22) Finished k-point number 46 2 with #bands= 24 9) Finished k-point number 20 2 with #bands= 26 13) Finished k-point number 28 2 with #bands= 26 32) Finished k-point number 66 2 with #bands= 24 24) Finished k-point number 50 2 with #bands= 24 Data-size pr_processor[MBy]= 0.2380371 Total datasize is[MBy]= 15.23438 max_nbands= 26 nomega= 300 pr_proc= 2 nprocs= 64 EF 8.71610215561606 Density= 11.9999964458160 EF 8.98821598772964 Density= 12.5261415497465 Brent's Method Step XA XB F(XA) F(XB) 0 0.66062175 0.64062175 0.526142 -0.355408E-05 1 0.65062175 0.64062177 0.234595 -0.355408E-05 2 0.64562176 0.64062200 0.138027 -0.355408E-05 3 0.64312188 0.64062212 0.699718E-01 -0.355408E-05 4 0.64187200 0.64062182 0.401096E-01 -0.355408E-05 5 0.64124691 0.64062173 0.161737E-01 -0.355408E-05 6 0.64093432 0.64062178 0.347274E-02 -0.355408E-05 7 0.64077805 0.64062199 0.520326E-02 -0.355408E-05 8 0.64070002 0.64062212 0.353028E-02 -0.355408E-05 9 0.64066107 0.64062182 0.232303E-02 -0.355409E-05 10 0.64064145 0.64062197 0.129727E-02 -0.355408E-05 11 0.64063171 0.64062190 0.669903E-03 -0.355408E-05 12 0.64062680 0.64062170 0.337690E-03 -0.355408E-05 13 0.64062425 0.64062203 0.164431E-03 -0.355408E-05 14 0.64062314 0.64062186 0.897135E-04 -0.355408E-05 15 0.64062250 0.64062171 0.468311E-04 -0.355408E-05 16 0.64062211 0.64062203 0.203083E-04 -0.355409E-05 17 0.64062207 0.64062211 0.176078E-04 -0.355409E-05 18 0.64062209 0.64062207 0.189580E-04 -0.355408E-05 19 0.64062208 0.64062209 0.182828E-04 -0.355408E-05 20 0.64062208 0.64062208 0.186204E-04 -0.355409E-05 21 0.64062208 0.64062208 0.184516E-04 -0.355408E-05 22 0.64062208 0.64062208 0.185360E-04 -0.355408E-05 23 0.64062208 0.64062208 0.184938E-04 -0.355408E-05 24 0.64062208 0.64062208 0.185149E-04 -0.355408E-05 25 0.64062208 0.64062208 0.185044E-04 -0.355408E-05 26 0.64062208 0.64062208 0.185082E-04 -0.355408E-05 Absolute convergence of the X interval. Difference in EF= 0.0000044934 EF set to : 8.7161066490 new EF (no-mixing): 8.7161066490 mpr_proc= 2 myrank= 0 nprocs= 64 nkpt= 73 21) Finished k-point 43 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 3) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 26 6) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 23 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 31 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 18) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 24 34) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 16) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 20) Finished k-point 41 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 30) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 7) Finished k-point 15 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 47 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 25) Finished k-point 51 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 53 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 2) Finished k-point 5 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 27) Finished k-point 55 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 5) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 19 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 17 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 12) Finished k-point 25 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 28) Finished k-point 57 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 71 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 39 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 67 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 27 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 17) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 14) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 45 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 49 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 18) Finished k-point 38 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 20) Finished k-point 42 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 19) Finished k-point 40 2 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx 28 31) Finished k-point 64 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 6) Finished k-point 14 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 30) Finished k-point 62 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 11) Finished k-point 24 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 34) Finished k-point 70 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 35) Finished k-point 72 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 15) Finished k-point 32 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 3) Finished k-point 8 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 21) Finished k-point 44 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 28) Finished k-point 58 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 23) Finished k-point 48 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 25) Finished k-point 52 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 0) Finished k-point 2 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 12) Finished k-point 26 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 16) Finished k-point 34 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 68 2 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx 30 26) Finished k-point 54 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 27) Finished k-point 56 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 29) Finished k-point 60 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 2) Finished k-point 6 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 16 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 12 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 66 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 22 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 17) Finished k-point 36 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 14) Finished k-point 30 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 50 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 4 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 22) Finished k-point 46 2 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx 32 8) Finished k-point 18 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 20 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 10 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 28 2 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -141.374627919356 eV Ratio to renormalize= 0.999998457973056