nargs= 1 argi=dmft2.def WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral WARNING: quantization axis from case.inso and local rotation axis are not paral WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. lel! Non-tested. You are on your own. lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. 39) Finished k-point number 40 1 with #bands= 160 3) Finished k-point number 4 1 with #bands= 160 10) Finished k-point number 11 1 with #bands= 160 31) Finished k-point number 32 1 with #bands= 160 5) Finished k-point number 6 1 with #bands= 160 45) Finished k-point number 46 1 with #bands= 160 21) Finished k-point number 22 1 with #bands= 156 2) Finished k-point number 3 1 with #bands= 158 9) Finished k-point number 10 1 with #bands= 156 38) Finished k-point number 39 1 with #bands= 160 13) Finished k-point number 14 1 with #bands= 162 20) Finished k-point number 21 1 with #bands= 160 46) Finished k-point number 47 1 with #bands= 160 26) Finished k-point number 27 1 with #bands= 160 33) Finished k-point number 34 1 with #bands= 158 23) Finished k-point number 24 1 with #bands= 160 44) Finished k-point number 45 1 with #bands= 160 36) Finished k-point number 37 1 with #bands= 156 6) Finished k-point number 7 1 with #bands= 160 11) Finished k-point number 12 1 with #bands= 160 18) Finished k-point number 19 1 with #bands= 160 30) Finished k-point number 31 1 with #bands= 160 32) Finished k-point number 33 1 with #bands= 160 17) Finished k-point number 18 1 with #bands= 158 0) Finished k-point number 1 1 with #bands= 162 27) Finished k-point number 28 1 with #bands= 160 40) Finished k-point number 41 1 with #bands= 160 15) Finished k-point number 16 1 with #bands= 160 28) Finished k-point number 29 1 with #bands= 160 42) Finished k-point number 43 1 with #bands= 160 12) Finished k-point number 13 1 with #bands= 162 29) Finished k-point number 30 1 with #bands= 158 25) Finished k-point number 26 1 with #bands= 160 37) Finished k-point number 38 1 with #bands= 156 24) Finished k-point number 25 1 with #bands= 160 43) Finished k-point number 44 1 with #bands= 160 41) Finished k-point number 42 1 with #bands= 160 8) Finished k-point number 9 1 with #bands= 160 35) Finished k-point number 36 1 with #bands= 160 1) Finished k-point number 2 1 with #bands= 160 47) Finished k-point number 48 1 with #bands= 160 7) Finished k-point number 8 1 with #bands= 160 22) Finished k-point number 23 1 with #bands= 160 14) Finished k-point number 15 1 with #bands= 158 19) Finished k-point number 20 1 with #bands= 160 34) Finished k-point number 35 1 with #bands= 160 16) Finished k-point number 17 1 with #bands= 160 4) Finished k-point number 5 1 with #bands= 158 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.751778122167629 0.758650009184128 0.760755215461914 0.751900973459805 0.758108272676333 0.761216930600834 0.751599478301766 0.758277266954867 0.760883881770321 0.751928721172905 0.758241828066196 0.761474871361142 9) Finished k-point number 10 1 with #bands= 156 21) Finished k-point number 22 1 with #bands= 156 8) Finished k-point number 9 1 with #bands= 160 32) Finished k-point number 33 1 with #bands= 160 46) Finished k-point number 47 1 with #bands= 160 33) Finished k-point number 34 1 with #bands= 158 44) Finished k-point number 45 1 with #bands= 160 43) Finished k-point number 44 1 with #bands= 160 10) Finished k-point number 11 1 with #bands= 160 23) Finished k-point number 24 1 with #bands= 160 45) Finished k-point number 46 1 with #bands= 160 20) Finished k-point number 21 1 with #bands= 160 28) Finished k-point number 29 1 with #bands= 160 6) Finished k-point number 7 1 with #bands= 160 0) Finished k-point number 1 1 with #bands= 162 47) Finished k-point number 48 1 with #bands= 160 26) Finished k-point number 27 1 with #bands= 160 18) Finished k-point number 19 1 with #bands= 160 11) Finished k-point number 12 1 with #bands= 160 42) Finished k-point number 43 1 with #bands= 160 7) Finished k-point number 8 1 with #bands= 160 34) Finished k-point number 35 1 with #bands= 160 36) Finished k-point number 37 1 with #bands= 156 30) Finished k-point number 31 1 with #bands= 160 38) Finished k-point number 39 1 with #bands= 160 25) Finished k-point number 26 1 with #bands= 160 24) Finished k-point number 25 1 with #bands= 160 27) Finished k-point number 28 1 with #bands= 160 29) Finished k-point number 30 1 with #bands= 158 3) Finished k-point number 4 1 with #bands= 160 1) Finished k-point number 2 1 with #bands= 160 2) Finished k-point number 3 1 with #bands= 158 39) Finished k-point number 40 1 with #bands= 160 12) Finished k-point number 13 1 with #bands= 162 15) Finished k-point number 16 1 with #bands= 160 17) Finished k-point number 18 1 with #bands= 158 37) Finished k-point number 38 1 with #bands= 156 16) Finished k-point number 17 1 with #bands= 160 40) Finished k-point number 41 1 with #bands= 160 41) Finished k-point number 42 1 with #bands= 160 4) Finished k-point number 5 1 with #bands= 158 22) Finished k-point number 23 1 with #bands= 160 5) Finished k-point number 6 1 with #bands= 160 35) Finished k-point number 36 1 with #bands= 160 19) Finished k-point number 20 1 with #bands= 160 31) Finished k-point number 32 1 with #bands= 160 14) Finished k-point number 15 1 with #bands= 158 13) Finished k-point number 14 1 with #bands= 162 Data-size pr_processor[MBy]= 0.8651733 Total datasize is[MBy]= 41.52832 max_nbands= 162 nomega= 350 pr_proc= 1 nprocs= 48 EF 8.60188631131872 Density= 236.074219976212 236.000000000000 EF 8.32977247920514 Density= 234.052213168141 236.000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.63222704 0.61222704 0.742200E-01 -1.94779 1 0.63149292 0.61222704 0.872264E-02 -1.94779 2 0.63139559 0.63149292 -0.117082E-03 0.872264E-02 3 0.63139688 0.63139559 0.258860E-06 -0.117082E-03 4 0.63139687 0.63139559 0.778755E-11 -0.117082E-03 Absolute convergence of |F(X)|. Difference in EF= -0.0112949933 EF set to : 8.5905913180 new EF (no-mixing): 8.5905913180 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 Density= 3.856437 logg= -0.007805 ETOT= -5.459634 -5.469077 32) Finished k-point 33 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 1.916691 logg= -0.004211 ETOT= -2.737502 -2.742946 39) Finished k-point 40 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 7.705747 logg= -0.015955 ETOT= -10.920099 -10.940522 16) Finished k-point 17 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 1.922213 logg= -0.004022 ETOT= -2.734204 -2.739285 46) Finished k-point 47 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 1.917769 logg= -0.004164 ETOT= -2.737018 -2.742340 43) Finished k-point 44 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 3.863817 logg= -0.007433 ETOT= -5.454276 -5.463452 7) Finished k-point 8 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.845880 logg= -0.008089 ETOT= -5.466779 -5.477062 31) Finished k-point 32 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=278 Density= 7.700100 logg= -0.015986 ETOT= -10.922629 -10.943886 12) Finished k-point 13 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=306 DM_nemaxx=282 Density= 3.854058 logg= -0.007919 ETOT= -5.460500 -5.470191 Density= 3.842246 logg= -0.008203 ETOT= -5.469410 -5.479811 15) Finished k-point 16 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=278 42) Finished k-point 43 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 3.858085 logg= -0.007676 ETOT= -5.458191 -5.467546 19) Finished k-point 20 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=278 Density= 7.697458 logg= -0.016138 ETOT= -10.929826 -10.949979 30) Finished k-point 31 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.854452 logg= -0.007826 ETOT= -5.460702 -5.470196 36) Finished k-point 37 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=300 DM_nemaxx=276 Density= 0.959490 logg= -0.002040 ETOT= -1.368238 -1.370842 47) Finished k-point 48 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=272 Density= 1.939661 logg= -0.003602 ETOT= -2.722256 -2.726610 11) Finished k-point 12 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 1.927615 logg= -0.003863 ETOT= -2.730526 -2.735276 45) Finished k-point 46 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.858141 logg= -0.007716 ETOT= -5.458420 -5.467831 22) Finished k-point 23 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.722731 logg= -0.015350 ETOT= -10.910618 -10.929881 6) Finished k-point 7 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.844162 logg= -0.008279 ETOT= -5.467462 -5.478116 27) Finished k-point 28 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 7.704586 logg= -0.015652 ETOT= -10.922526 -10.942721 24) Finished k-point 25 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.699133 logg= -0.015903 ETOT= -10.926939 -10.947232 25) Finished k-point 26 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.710587 logg= -0.015630 ETOT= -10.919768 -10.939117 28) Finished k-point 29 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.705788 logg= -0.015831 ETOT= -10.923642 -10.943207 29) Finished k-point 30 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=280 Density= 3.855758 logg= -0.008032 ETOT= -5.459502 -5.469389 21) Finished k-point 22 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=300 DM_nemaxx=280 Density= 7.691424 logg= -0.016278 ETOT= -10.932731 -10.953458 26) Finished k-point 27 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=278 Density= 7.706256 logg= -0.016007 ETOT= -10.917707 -10.938782 Density= 1.933458 logg= -0.003735 ETOT= -2.726393 -2.730985 4) Finished k-point 5 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=282 23) Finished k-point 24 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.707003 logg= -0.015713 ETOT= -10.921080 -10.941188 14) Finished k-point 15 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=282 Density= 7.699328 logg= -0.016050 ETOT= -10.921297 -10.942806 0) Finished k-point 1 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=306 DM_nemaxx=280 Density= 7.708615 logg= -0.015892 ETOT= -10.917670 -10.938064 5) Finished k-point 6 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 7.704263 logg= -0.015853 ETOT= -10.919439 -10.940608 1) Finished k-point 2 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 1.923999 logg= -0.003958 ETOT= -2.732922 -2.737934 35) Finished k-point 36 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 1.935437 logg= -0.003709 ETOT= -2.725424 -2.729942 44) Finished k-point 45 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.854780 logg= -0.007867 ETOT= -5.461051 -5.470546 Density= 3.855711 logg= -0.007946 ETOT= -5.458319 -5.468198 33) Finished k-point 34 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=302 DM_nemaxx=280 9) Finished k-point 10 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=300 DM_nemaxx=280 Density= 7.714075 logg= -0.015379 ETOT= -10.915250 -10.935098 2) Finished k-point 3 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=282 Density= 7.708254 logg= -0.015839 ETOT= -10.920079 -10.940090 17) Finished k-point 18 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=280 Density= 3.860722 logg= -0.007603 ETOT= -5.456179 -5.465521 10) Finished k-point 11 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.852045 logg= -0.007905 ETOT= -5.462722 -5.472482 41) Finished k-point 42 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.854622 logg= -0.008004 ETOT= -5.458201 -5.468567 8) Finished k-point 9 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=278 Density= 3.859932 logg= -0.007614 ETOT= -5.457501 -5.466727 40) Finished k-point 41 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.851551 logg= -0.007931 ETOT= -5.463492 -5.473283 34) Finished k-point 35 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.854356 logg= -0.007964 ETOT= -5.459488 -5.469475 20) Finished k-point 21 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.839237 logg= -0.008318 ETOT= -5.470854 -5.481537 38) Finished k-point 39 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 3.849089 logg= -0.008083 ETOT= -5.464228 -5.474325 37) Finished k-point 38 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=300 DM_nemaxx=276 Density= 3.857115 logg= -0.007728 ETOT= -5.458303 -5.467900 3) Finished k-point 4 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.713582 logg= -0.015659 ETOT= -10.917810 -10.937381 18) Finished k-point 19 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 7.702540 logg= -0.015855 ETOT= -10.922778 -10.943527 13) Finished k-point 14 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=306 DM_nemaxx=280 Sum of eigenvalues= -4550.85337487546 eV TrLogG= -4559.19849176145 eV Ratio to renormalize= 1.000000002771 rho-rho_expected=-0.000000654027 nargs= 1 argi=dmft2.def WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. 34) Finished k-point number 35 1 with #bands= 160 13) Finished k-point number 14 1 with #bands= 162 1) Finished k-point number 2 1 with #bands= 160 19) Finished k-point number 20 1 with #bands= 160 27) Finished k-point number 28 1 with #bands= 160 41) Finished k-point number 42 1 with #bands= 160 22) Finished k-point number 23 1 with #bands= 160 37) Finished k-point number 38 1 with #bands= 156 44) Finished k-point number 45 1 with #bands= 160 25) Finished k-point number 26 1 with #bands= 160 40) Finished k-point number 41 1 with #bands= 160 36) Finished k-point number 37 1 with #bands= 156 21) Finished k-point number 22 1 with #bands= 156 26) Finished k-point number 27 1 with #bands= 160 33) Finished k-point number 34 1 with #bands= 158 11) Finished k-point number 12 1 with #bands= 160 43) Finished k-point number 44 1 with #bands= 160 45) Finished k-point number 46 1 with #bands= 160 30) Finished k-point number 31 1 with #bands= 160 8) Finished k-point number 9 1 with #bands= 160 23) Finished k-point number 24 1 with #bands= 160 18) Finished k-point number 19 1 with #bands= 160 32) Finished k-point number 33 1 with #bands= 160 10) Finished k-point number 11 1 with #bands= 160 42) Finished k-point number 43 1 with #bands= 160 29) Finished k-point number 30 1 with #bands= 158 14) Finished k-point number 15 1 with #bands= 158 6) Finished k-point number 7 1 with #bands= 160 20) Finished k-point number 21 1 with #bands= 160 16) Finished k-point number 17 1 with #bands= 160 0) Finished k-point number 1 1 with #bands= 162 12) Finished k-point number 13 1 with #bands= 162 2) Finished k-point number 3 1 with #bands= 158 46) Finished k-point number 47 1 with #bands= 160 47) Finished k-point number 48 1 with #bands= 160 39) Finished k-point number 40 1 with #bands= 160 4) Finished k-point number 5 1 with #bands= 158 38) Finished k-point number 39 1 with #bands= 160 15) Finished k-point number 16 1 with #bands= 160 28) Finished k-point number 29 1 with #bands= 160 7) Finished k-point number 8 1 with #bands= 160 31) Finished k-point number 32 1 with #bands= 160 24) Finished k-point number 25 1 with #bands= 160 5) Finished k-point number 6 1 with #bands= 160 3) Finished k-point number 4 1 with #bands= 160 35) Finished k-point number 36 1 with #bands= 160 9) Finished k-point number 10 1 with #bands= 156 17) Finished k-point number 18 1 with #bands= 158 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.751778032001199 0.758652744829427 0.760754549877440 0.751904952211180 0.758115928737407 0.761212237814654 0.751599273571269 0.758279606815258 0.760889272972315 0.751927149759105 0.758252230352559 0.761470883253051 36) Finished k-point number 37 1 with #bands= 156 37) Finished k-point number 38 1 with #bands= 156 33) Finished k-point number 34 1 with #bands= 158 2) Finished k-point number 3 1 with #bands= 158 1) Finished k-point number 2 1 with #bands= 160 3) Finished k-point number 4 1 with #bands= 160 0) Finished k-point number 1 1 with #bands= 162 38) Finished k-point number 39 1 with #bands= 160 32) Finished k-point number 33 1 with #bands= 160 41) Finished k-point number 42 1 with #bands= 160 25) Finished k-point number 26 1 with #bands= 160 27) Finished k-point number 28 1 with #bands= 160 28) Finished k-point number 29 1 with #bands= 160 26) Finished k-point number 27 1 with #bands= 160 47) Finished k-point number 48 1 with #bands= 160 42) Finished k-point number 43 1 with #bands= 160 31) Finished k-point number 32 1 with #bands= 160 34) Finished k-point number 35 1 with #bands= 160 46) Finished k-point number 47 1 with #bands= 160 44) Finished k-point number 45 1 with #bands= 160 45) Finished k-point number 46 1 with #bands= 160 43) Finished k-point number 44 1 with #bands= 160 40) Finished k-point number 41 1 with #bands= 160 24) Finished k-point number 25 1 with #bands= 160 29) Finished k-point number 30 1 with #bands= 158 21) Finished k-point number 22 1 with #bands= 156 16) Finished k-point number 17 1 with #bands= 160 14) Finished k-point number 15 1 with #bands= 158 15) Finished k-point number 16 1 with #bands= 160 17) Finished k-point number 18 1 with #bands= 158 10) Finished k-point number 11 1 with #bands= 160 12) Finished k-point number 13 1 with #bands= 162 13) Finished k-point number 14 1 with #bands= 162 22) Finished k-point number 23 1 with #bands= 160 19) Finished k-point number 20 1 with #bands= 160 35) Finished k-point number 36 1 with #bands= 160 4) Finished k-point number 5 1 with #bands= 158 39) Finished k-point number 40 1 with #bands= 160 9) Finished k-point number 10 1 with #bands= 156 5) Finished k-point number 6 1 with #bands= 160 30) Finished k-point number 31 1 with #bands= 160 8) Finished k-point number 9 1 with #bands= 160 11) Finished k-point number 12 1 with #bands= 160 20) Finished k-point number 21 1 with #bands= 160 23) Finished k-point number 24 1 with #bands= 160 6) Finished k-point number 7 1 with #bands= 160 7) Finished k-point number 8 1 with #bands= 160 18) Finished k-point number 19 1 with #bands= 160 Data-size pr_processor[MBy]= 0.8651733 Total datasize is[MBy]= 41.52832 max_nbands= 162 nomega= 350 pr_proc= 1 nprocs= 48 EF 8.59059131797794 Density= 236.111018230566 236.000000000000 EF 8.31847748586436 Density= 233.973602399163 236.000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.63139687 0.61139687 0.111018 -2.02640 1 0.63035806 0.61139687 0.160313E-01 -2.02640 2 0.63018412 0.63035806 -0.936948E-03 0.160313E-01 3 0.63019372 0.63018412 0.853840E-05 -0.936948E-03 4 0.63019364 0.63018412 0.447824E-08 -0.936948E-03 5 0.63019364 0.63019364 -0.536031E-08 0.447824E-08 6 0.63019364 0.63019364 -0.536031E-08 0.447824E-08 Absolute convergence of the X interval. Difference in EF= -0.0163708700 EF set to : 8.5742204480 new EF (no-mixing): 8.5742204480 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 Density= 3.856289 logg= -0.007016 ETOT= -5.458186 -5.466975 9) Finished k-point 10 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=300 DM_nemaxx=280 Density= 7.705307 logg= -0.014042 ETOT= -10.919264 -10.938285 1) Finished k-point 2 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 0.958556 logg= -0.001809 ETOT= -1.368899 -1.371213 47) Finished k-point 48 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=272 Density= 7.707226 logg= -0.013853 ETOT= -10.921415 -10.939272 14) Finished k-point 15 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=282 Density= 1.924172 logg= -0.003487 ETOT= -2.732928 -2.737389 35) Finished k-point 36 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.851927 logg= -0.007003 ETOT= -5.463490 -5.472192 Density= 3.855019 logg= -0.007033 ETOT= -5.459301 -5.468203 34) Finished k-point 35 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 20) Finished k-point 21 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.704335 logg= -0.013770 ETOT= -10.923155 -10.941144 24) Finished k-point 25 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.694779 logg= -0.014262 ETOT= -10.924791 -10.944018 Density= 1.915499 logg= -0.003706 ETOT= -2.738603 -2.743340 0) Finished k-point 1 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=306 DM_nemaxx=280 43) Finished k-point 44 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 7.698613 logg= -0.014258 ETOT= -10.929554 -10.947510 30) Finished k-point 31 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 3.856159 logg= -0.007097 ETOT= -5.459483 -5.468200 21) Finished k-point 22 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=300 DM_nemaxx=280 Density= 3.850179 logg= -0.007153 ETOT= -5.463765 -5.472777 37) Finished k-point 38 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=300 DM_nemaxx=276 Density= 7.712422 logg= -0.013507 ETOT= -10.916792 -10.934426 2) Finished k-point 3 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=282 Density= 3.856908 logg= -0.006818 ETOT= -5.458678 -5.467120 3) Finished k-point 4 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 1.922426 logg= -0.003553 ETOT= -2.734183 -2.738714 46) Finished k-point 47 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 1.937572 logg= -0.003220 ETOT= -2.724156 -2.728156 44) Finished k-point 45 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.854776 logg= -0.006940 ETOT= -5.461289 -5.469624 Density= 1.927210 logg= -0.003385 ETOT= -2.730904 -2.735091 Density= 3.858447 logg= -0.006658 ETOT= -5.458687 -5.466779 33) Finished k-point 34 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=302 DM_nemaxx=280 45) Finished k-point 46 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 40) Finished k-point 41 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.722619 logg= -0.013443 ETOT= -10.911141 -10.928134 6) Finished k-point 7 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 3.857481 logg= -0.006788 ETOT= -5.459083 -5.467320 Density= 3.845567 logg= -0.007353 ETOT= -5.466797 -5.476368 22) Finished k-point 23 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 27) Finished k-point 28 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 7.699701 logg= -0.014041 ETOT= -10.927049 -10.945152 25) Finished k-point 26 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.852402 logg= -0.006963 ETOT= -5.462727 -5.471388 41) Finished k-point 42 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.842593 logg= -0.007264 ETOT= -5.469418 -5.478715 Density= 7.706440 logg= -0.013946 ETOT= -10.923695 -10.940992 42) Finished k-point 43 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 29) Finished k-point 30 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=280 Density= 7.690625 logg= -0.014425 ETOT= -10.933731 -10.952240 26) Finished k-point 27 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.856978 logg= -0.006734 ETOT= -5.459143 -5.467370 19) Finished k-point 20 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=278 Density= 3.854220 logg= -0.007004 ETOT= -5.460638 -5.469236 15) Finished k-point 16 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.855296 logg= -0.007094 ETOT= -5.458017 -5.467309 8) Finished k-point 9 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.707917 logg= -0.014193 ETOT= -10.917143 -10.935991 4) Finished k-point 5 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=282 Density= 7.709354 logg= -0.014000 ETOT= -10.919854 -10.937631 17) Finished k-point 18 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=280 Density= 7.707387 logg= -0.014098 ETOT= -10.919526 -10.937757 16) Finished k-point 17 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 7.709962 logg= -0.014057 ETOT= -10.917289 -10.935473 5) Finished k-point 6 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 7.700974 logg= -0.014162 ETOT= -10.922563 -10.941652 12) Finished k-point 13 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=306 DM_nemaxx=282 Density= 1.933579 logg= -0.003249 ETOT= -2.726421 -2.730468 23) Finished k-point 24 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.838322 logg= -0.007378 ETOT= -5.471681 -5.481232 38) Finished k-point 39 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 1.941498 logg= -0.003121 ETOT= -2.721180 -2.724984 11) Finished k-point 12 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.856301 logg= -0.006873 ETOT= -5.459957 -5.468233 32) Finished k-point 33 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 1.914094 logg= -0.003745 ETOT= -2.739304 -2.744142 39) Finished k-point 40 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 3.854313 logg= -0.006902 ETOT= -5.461031 -5.469387 Density= 3.846894 logg= -0.007157 ETOT= -5.466361 -5.475557 36) Finished k-point 37 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=300 DM_nemaxx=276 31) Finished k-point 32 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=278 Density= 7.712599 logg= -0.013770 ETOT= -10.918915 -10.936191 18) Finished k-point 19 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 7.703480 logg= -0.014032 ETOT= -10.922664 -10.941256 13) Finished k-point 14 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=306 DM_nemaxx=282 Density= 7.710244 logg= -0.013734 ETOT= -10.920456 -10.937591 28) Finished k-point 29 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.861517 logg= -0.006488 ETOT= -5.455996 -5.463965 7) Finished k-point 8 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.859826 logg= -0.006671 ETOT= -5.456994 -5.465159 10) Finished k-point 11 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Sum of eigenvalues= -4551.05359676079 eV TrLogG= -4558.46901620933 eV Ratio to renormalize= 1.000000002982 rho-rho_expected=-0.000000703849 nargs= 1 argi=dmft2.def WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. 7) Finished k-point number 8 1 with #bands= 160 31) Finished k-point number 32 1 with #bands= 160 15) Finished k-point number 16 1 with #bands= 160 6) Finished k-point number 7 1 with #bands= 160 22) Finished k-point number 23 1 with #bands= 160 3) Finished k-point number 4 1 with #bands= 160 13) Finished k-point number 14 1 with #bands= 162 12) Finished k-point number 13 1 with #bands= 162 29) Finished k-point number 30 1 with #bands= 158 24) Finished k-point number 25 1 with #bands= 160 11) Finished k-point number 12 1 with #bands= 160 17) Finished k-point number 18 1 with #bands= 158 14) Finished k-point number 15 1 with #bands= 158 8) Finished k-point number 9 1 with #bands= 160 16) Finished k-point number 17 1 with #bands= 160 2) Finished k-point number 3 1 with #bands= 158 21) Finished k-point number 22 1 with #bands= 156 20) Finished k-point number 21 1 with #bands= 160 10) Finished k-point number 11 1 with #bands= 160 34) Finished k-point number 35 1 with #bands= 160 25) Finished k-point number 26 1 with #bands= 160 9) Finished k-point number 10 1 with #bands= 156 45) Finished k-point number 46 1 with #bands= 160 43) Finished k-point number 44 1 with #bands= 160 37) Finished k-point number 38 1 with #bands= 156 47) Finished k-point number 48 1 with #bands= 160 39) Finished k-point number 40 1 with #bands= 160 46) Finished k-point number 47 1 with #bands= 160 1) Finished k-point number 2 1 with #bands= 160 41) Finished k-point number 42 1 with #bands= 160 38) Finished k-point number 39 1 with #bands= 160 30) Finished k-point number 31 1 with #bands= 160 23) Finished k-point number 24 1 with #bands= 160 0) Finished k-point number 1 1 with #bands= 162 19) Finished k-point number 20 1 with #bands= 160 27) Finished k-point number 28 1 with #bands= 160 36) Finished k-point number 37 1 with #bands= 156 5) Finished k-point number 6 1 with #bands= 160 40) Finished k-point number 41 1 with #bands= 160 18) Finished k-point number 19 1 with #bands= 160 28) Finished k-point number 29 1 with #bands= 160 33) Finished k-point number 34 1 with #bands= 158 32) Finished k-point number 33 1 with #bands= 160 42) Finished k-point number 43 1 with #bands= 160 44) Finished k-point number 45 1 with #bands= 160 26) Finished k-point number 27 1 with #bands= 160 35) Finished k-point number 36 1 with #bands= 160 4) Finished k-point number 5 1 with #bands= 158 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.751781027145838 0.758657477376113 0.760741262292610 0.751904836990725 0.758110851675463 0.761210249246229 0.751600520875446 0.758288141760173 0.760870751605868 0.751928623622285 0.758243653942888 0.761468828616154 11) Finished k-point number 12 1 with #bands= 160 37) Finished k-point number 38 1 with #bands= 156 36) Finished k-point number 37 1 with #bands= 156 39) Finished k-point number 40 1 with #bands= 160 40) Finished k-point number 41 1 with #bands= 160 41) Finished k-point number 42 1 with #bands= 160 12) Finished k-point number 13 1 with #bands= 162 46) Finished k-point number 47 1 with #bands= 160 44) Finished k-point number 45 1 with #bands= 160 43) Finished k-point number 44 1 with #bands= 160 47) Finished k-point number 48 1 with #bands= 160 45) Finished k-point number 46 1 with #bands= 160 9) Finished k-point number 10 1 with #bands= 156 17) Finished k-point number 18 1 with #bands= 158 21) Finished k-point number 22 1 with #bands= 156 8) Finished k-point number 9 1 with #bands= 160 15) Finished k-point number 16 1 with #bands= 160 7) Finished k-point number 8 1 with #bands= 160 14) Finished k-point number 15 1 with #bands= 158 10) Finished k-point number 11 1 with #bands= 160 13) Finished k-point number 14 1 with #bands= 162 16) Finished k-point number 17 1 with #bands= 160 20) Finished k-point number 21 1 with #bands= 160 38) Finished k-point number 39 1 with #bands= 160 23) Finished k-point number 24 1 with #bands= 160 6) Finished k-point number 7 1 with #bands= 160 22) Finished k-point number 23 1 with #bands= 160 18) Finished k-point number 19 1 with #bands= 160 0) Finished k-point number 1 1 with #bands= 162 4) Finished k-point number 5 1 with #bands= 158 32) Finished k-point number 33 1 with #bands= 160 2) Finished k-point number 3 1 with #bands= 158 29) Finished k-point number 30 1 with #bands= 158 19) Finished k-point number 20 1 with #bands= 160 42) Finished k-point number 43 1 with #bands= 160 25) Finished k-point number 26 1 with #bands= 160 27) Finished k-point number 28 1 with #bands= 160 5) Finished k-point number 6 1 with #bands= 160 34) Finished k-point number 35 1 with #bands= 160 35) Finished k-point number 36 1 with #bands= 160 28) Finished k-point number 29 1 with #bands= 160 26) Finished k-point number 27 1 with #bands= 160 30) Finished k-point number 31 1 with #bands= 160 24) Finished k-point number 25 1 with #bands= 160 33) Finished k-point number 34 1 with #bands= 158 1) Finished k-point number 2 1 with #bands= 160 31) Finished k-point number 32 1 with #bands= 160 3) Finished k-point number 4 1 with #bands= 160 Data-size pr_processor[MBy]= 0.8651733 Total datasize is[MBy]= 41.52832 max_nbands= 162 nomega= 350 pr_proc= 1 nprocs= 48 EF 8.57422044799327 Density= 236.065304899761 236.000000000000 EF 8.30210661587969 Density= 233.893197460317 236.000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.63019364 0.61019364 0.653049E-01 -2.10680 1 0.62959233 0.61019364 0.104671E-01 -2.10680 2 0.62947812 0.62959233 -0.415624E-03 0.104671E-01 3 0.62948249 0.62947812 0.289484E-05 -0.415624E-03 4 0.62948246 0.62947812 0.793932E-09 -0.415624E-03 5 0.62948246 0.62948246 -0.879885E-08 0.793932E-09 6 0.62948246 0.62948246 -0.879885E-08 0.793932E-09 Absolute convergence of the X interval. Difference in EF= -0.0096760838 EF set to : 8.5645443642 new EF (no-mixing): 8.5645443642 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 Density= 3.854890 logg= -0.007226 ETOT= -5.458217 -5.467720 8) Finished k-point 9 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=278 Density= 1.938319 logg= -0.003293 ETOT= -2.723648 -2.727777 44) Finished k-point 45 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 1.927146 logg= -0.003455 ETOT= -2.730918 -2.735213 45) Finished k-point 46 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.701394 logg= -0.014429 ETOT= -10.922169 -10.941696 12) Finished k-point 13 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=306 DM_nemaxx=282 Density= 0.958692 logg= -0.001842 ETOT= -1.368796 -1.371163 47) Finished k-point 48 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=272 Density= 3.850145 logg= -0.007290 ETOT= -5.463732 -5.472956 37) Finished k-point 38 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=300 DM_nemaxx=276 Density= 3.859350 logg= -0.006812 ETOT= -5.457240 -5.465579 10) Finished k-point 11 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.858093 logg= -0.006798 ETOT= -5.458858 -5.467167 40) Finished k-point 41 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.839468 logg= -0.007503 ETOT= -5.470882 -5.480647 38) Finished k-point 39 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 3.852306 logg= -0.007103 ETOT= -5.462734 -5.471611 41) Finished k-point 42 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.708694 logg= -0.014274 ETOT= -10.920160 -10.938321 17) Finished k-point 18 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=280 Density= 7.707144 logg= -0.014125 ETOT= -10.921347 -10.939624 14) Finished k-point 15 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=280 Density= 1.941769 logg= -0.003196 ETOT= -2.720978 -2.724887 11) Finished k-point 12 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.855858 logg= -0.007148 ETOT= -5.458404 -5.467403 9) Finished k-point 10 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=300 DM_nemaxx=280 Density= 3.854612 logg= -0.007165 ETOT= -5.459503 -5.468615 20) Finished k-point 21 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.706788 logg= -0.014363 ETOT= -10.919794 -10.938443 16) Finished k-point 17 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 1.922967 logg= -0.003621 ETOT= -2.733806 -2.738449 46) Finished k-point 47 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.843850 logg= -0.007396 ETOT= -5.468550 -5.478070 Density= 3.853873 logg= -0.007148 ETOT= -5.460803 -5.469621 42) Finished k-point 43 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 15) Finished k-point 16 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 3.853943 logg= -0.007045 ETOT= -5.461213 -5.469762 36) Finished k-point 37 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=300 DM_nemaxx=276 Density= 7.723096 logg= -0.013714 ETOT= -10.910713 -10.928116 6) Finished k-point 7 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.855910 logg= -0.007015 ETOT= -5.460150 -5.468606 32) Finished k-point 33 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 1.915497 logg= -0.003772 ETOT= -2.738574 -2.743410 43) Finished k-point 44 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 1.913902 logg= -0.003805 ETOT= -2.739396 -2.744326 39) Finished k-point 40 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 3.856586 logg= -0.006874 ETOT= -5.459339 -5.467780 19) Finished k-point 20 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=278 Density= 7.711924 logg= -0.014041 ETOT= -10.919233 -10.936889 18) Finished k-point 19 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 7.703810 logg= -0.014304 ETOT= -10.922328 -10.941362 13) Finished k-point 14 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=306 DM_nemaxx=280 Density= 3.855727 logg= -0.007229 ETOT= -5.459701 -5.468582 21) Finished k-point 22 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=300 DM_nemaxx=280 Density= 3.861015 logg= -0.006628 ETOT= -5.456261 -5.464404 7) Finished k-point 8 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.857045 logg= -0.006929 ETOT= -5.459305 -5.467714 22) Finished k-point 23 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.695110 logg= -0.014521 ETOT= -10.924443 -10.944105 0) Finished k-point 1 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=306 DM_nemaxx=280 Density= 1.934236 logg= -0.003319 ETOT= -2.725968 -2.730141 23) Finished k-point 24 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.706035 logg= -0.014219 ETOT= -10.923842 -10.941544 29) Finished k-point 30 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=280 Density= 7.709289 logg= -0.014327 ETOT= -10.917602 -10.936203 5) Finished k-point 6 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 7.704608 logg= -0.014042 ETOT= -10.922863 -10.941287 24) Finished k-point 25 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.851775 logg= -0.007144 ETOT= -5.463532 -5.472450 34) Finished k-point 35 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.711888 logg= -0.013780 ETOT= -10.917018 -10.935084 2) Finished k-point 3 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=282 Density= 7.699347 logg= -0.014527 ETOT= -10.928966 -10.947356 30) Finished k-point 31 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.705397 logg= -0.014313 ETOT= -10.919082 -10.938544 1) Finished k-point 2 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 3.856467 logg= -0.006960 ETOT= -5.458902 -5.467519 3) Finished k-point 4 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.847734 logg= -0.007294 ETOT= -5.465763 -5.475183 31) Finished k-point 32 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=278 Density= 7.691622 logg= -0.014692 ETOT= -10.932967 -10.951913 26) Finished k-point 27 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=278 Density= 7.709586 logg= -0.014007 ETOT= -10.920767 -10.938325 28) Finished k-point 29 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.846420 logg= -0.007485 ETOT= -5.466189 -5.475980 27) Finished k-point 28 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 7.700341 logg= -0.014312 ETOT= -10.926517 -10.945060 25) Finished k-point 26 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 1.924538 logg= -0.003556 ETOT= -2.732664 -2.737236 35) Finished k-point 36 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.854421 logg= -0.007082 ETOT= -5.461461 -5.469980 33) Finished k-point 34 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=302 DM_nemaxx=280 Density= 7.707374 logg= -0.014456 ETOT= -10.917368 -10.936595 4) Finished k-point 5 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=282 Sum of eigenvalues= -4551.00419348626 eV TrLogG= -4558.59275024582 eV Ratio to renormalize= 1.000000002806 rho-rho_expected=-0.000000662157 nargs= 1 argi=dmft2.def WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. 11) Finished k-point number 12 1 with #bands= 160 17) Finished k-point number 18 1 with #bands= 158 21) Finished k-point number 22 1 with #bands= 156 7) Finished k-point number 8 1 with #bands= 160 13) Finished k-point number 14 1 with #bands= 162 10) Finished k-point number 11 1 with #bands= 160 22) Finished k-point number 23 1 with #bands= 160 27) Finished k-point number 28 1 with #bands= 160 15) Finished k-point number 16 1 with #bands= 160 14) Finished k-point number 15 1 with #bands= 158 24) Finished k-point number 25 1 with #bands= 160 8) Finished k-point number 9 1 with #bands= 160 12) Finished k-point number 13 1 with #bands= 162 2) Finished k-point number 3 1 with #bands= 158 9) Finished k-point number 10 1 with #bands= 156 6) Finished k-point number 7 1 with #bands= 160 26) Finished k-point number 27 1 with #bands= 160 18) Finished k-point number 19 1 with #bands= 160 30) Finished k-point number 31 1 with #bands= 160 41) Finished k-point number 42 1 with #bands= 160 42) Finished k-point number 43 1 with #bands= 160 45) Finished k-point number 46 1 with #bands= 160 39) Finished k-point number 40 1 with #bands= 160 38) Finished k-point number 39 1 with #bands= 160 4) Finished k-point number 5 1 with #bands= 158 44) Finished k-point number 45 1 with #bands= 160 16) Finished k-point number 17 1 with #bands= 160 19) Finished k-point number 20 1 with #bands= 160 47) Finished k-point number 48 1 with #bands= 160 37) Finished k-point number 38 1 with #bands= 156 40) Finished k-point number 41 1 with #bands= 160 36) Finished k-point number 37 1 with #bands= 156 23) Finished k-point number 24 1 with #bands= 160 35) Finished k-point number 36 1 with #bands= 160 29) Finished k-point number 30 1 with #bands= 158 25) Finished k-point number 26 1 with #bands= 160 28) Finished k-point number 29 1 with #bands= 160 46) Finished k-point number 47 1 with #bands= 160 43) Finished k-point number 44 1 with #bands= 160 34) Finished k-point number 35 1 with #bands= 160 31) Finished k-point number 32 1 with #bands= 160 20) Finished k-point number 21 1 with #bands= 160 3) Finished k-point number 4 1 with #bands= 160 5) Finished k-point number 6 1 with #bands= 160 33) Finished k-point number 34 1 with #bands= 158 32) Finished k-point number 33 1 with #bands= 160 0) Finished k-point number 1 1 with #bands= 162 1) Finished k-point number 2 1 with #bands= 160 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.751792529698299 0.758659294121430 0.760773698370124 0.751921797676687 0.758117504170923 0.761232309637948 0.751613387399260 0.758287285246670 0.760897820714001 0.751935049284986 0.758259403471195 0.761485063984446 8) Finished k-point number 9 1 with #bands= 160 39) Finished k-point number 40 1 with #bands= 160 11) Finished k-point number 12 1 with #bands= 160 7) Finished k-point number 8 1 with #bands= 160 41) Finished k-point number 42 1 with #bands= 160 47) Finished k-point number 48 1 with #bands= 160 46) Finished k-point number 47 1 with #bands= 160 45) Finished k-point number 46 1 with #bands= 160 43) Finished k-point number 44 1 with #bands= 160 44) Finished k-point number 45 1 with #bands= 160 42) Finished k-point number 43 1 with #bands= 160 13) Finished k-point number 14 1 with #bands= 162 17) Finished k-point number 18 1 with #bands= 158 37) Finished k-point number 38 1 with #bands= 156 9) Finished k-point number 10 1 with #bands= 156 36) Finished k-point number 37 1 with #bands= 156 15) Finished k-point number 16 1 with #bands= 160 40) Finished k-point number 41 1 with #bands= 160 6) Finished k-point number 7 1 with #bands= 160 10) Finished k-point number 11 1 with #bands= 160 38) Finished k-point number 39 1 with #bands= 160 12) Finished k-point number 13 1 with #bands= 162 25) Finished k-point number 26 1 with #bands= 160 29) Finished k-point number 30 1 with #bands= 158 16) Finished k-point number 17 1 with #bands= 160 26) Finished k-point number 27 1 with #bands= 160 18) Finished k-point number 19 1 with #bands= 160 28) Finished k-point number 29 1 with #bands= 160 14) Finished k-point number 15 1 with #bands= 158 23) Finished k-point number 24 1 with #bands= 160 3) Finished k-point number 4 1 with #bands= 160 4) Finished k-point number 5 1 with #bands= 158 20) Finished k-point number 21 1 with #bands= 160 22) Finished k-point number 23 1 with #bands= 160 33) Finished k-point number 34 1 with #bands= 158 1) Finished k-point number 2 1 with #bands= 160 31) Finished k-point number 32 1 with #bands= 160 35) Finished k-point number 36 1 with #bands= 160 21) Finished k-point number 22 1 with #bands= 156 27) Finished k-point number 28 1 with #bands= 160 34) Finished k-point number 35 1 with #bands= 160 24) Finished k-point number 25 1 with #bands= 160 2) Finished k-point number 3 1 with #bands= 158 19) Finished k-point number 20 1 with #bands= 160 30) Finished k-point number 31 1 with #bands= 160 32) Finished k-point number 33 1 with #bands= 160 5) Finished k-point number 6 1 with #bands= 160 0) Finished k-point number 1 1 with #bands= 162 Data-size pr_processor[MBy]= 0.8651733 Total datasize is[MBy]= 41.52832 max_nbands= 162 nomega= 350 pr_proc= 1 nprocs= 48 EF 8.56454436423487 Density= 236.063839987271 236.000000000000 EF 8.29243053212129 Density= 233.877749831753 236.000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.62948246 0.60948246 0.638400E-01 -2.12225 1 0.62889840 0.60948246 0.945140E-02 -2.12225 2 0.62879736 0.62889840 -0.357066E-03 0.945140E-02 3 0.62880103 0.62879736 0.213689E-05 -0.357066E-03 4 0.62880101 0.62879736 0.478423E-09 -0.357066E-03 5 0.62880101 0.62880101 -0.928458E-08 0.478423E-09 6 0.62880101 0.62880101 -0.928458E-08 0.478423E-09 Absolute convergence of the X interval. Difference in EF= -0.0092715235 EF set to : 8.5552728407 new EF (no-mixing): 8.5552728407 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 Density= 3.850226 logg= -0.007401 ETOT= -5.463823 -5.473203 37) Finished k-point 38 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=300 DM_nemaxx=276 Density= 1.913730 logg= -0.003848 ETOT= -2.739577 -2.744563 39) Finished k-point 40 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 3.854978 logg= -0.007312 ETOT= -5.458297 -5.467941 8) Finished k-point 9 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=278 Density= 3.859336 logg= -0.006943 ETOT= -5.457392 -5.465870 10) Finished k-point 11 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 1.915363 logg= -0.003834 ETOT= -2.738731 -2.743643 43) Finished k-point 44 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 1.938498 logg= -0.003359 ETOT= -2.723606 -2.727833 44) Finished k-point 45 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 1.922953 logg= -0.003686 ETOT= -2.733887 -2.738616 46) Finished k-point 47 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 1.927229 logg= -0.003520 ETOT= -2.730937 -2.735322 45) Finished k-point 46 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 1.941918 logg= -0.003263 ETOT= -2.720955 -2.724945 11) Finished k-point 12 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.858277 logg= -0.006929 ETOT= -5.458884 -5.467376 40) Finished k-point 41 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.855926 logg= -0.007237 ETOT= -5.458499 -5.467640 9) Finished k-point 10 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=300 DM_nemaxx=280 Density= 7.707148 logg= -0.014341 ETOT= -10.921624 -10.940214 14) Finished k-point 15 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=282 Density= 0.958646 logg= -0.001874 ETOT= -1.368861 -1.371269 47) Finished k-point 48 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=272 Density= 7.708797 logg= -0.014491 ETOT= -10.920374 -10.938810 17) Finished k-point 18 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=280 Density= 3.853898 logg= -0.007277 ETOT= -5.460930 -5.469923 15) Finished k-point 16 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=278 Density= 3.839191 logg= -0.007592 ETOT= -5.471200 -5.481091 38) Finished k-point 39 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 3.855759 logg= -0.007320 ETOT= -5.459822 -5.468800 21) Finished k-point 22 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=300 DM_nemaxx=280 Density= 3.853939 logg= -0.007177 ETOT= -5.461360 -5.470066 36) Finished k-point 37 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=300 DM_nemaxx=276 Density= 3.843744 logg= -0.007507 ETOT= -5.468760 -5.478431 42) Finished k-point 43 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 7.706966 logg= -0.014539 ETOT= -10.919956 -10.938885 16) Finished k-point 17 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.703630 logg= -0.014516 ETOT= -10.922719 -10.942065 13) Finished k-point 14 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=306 DM_nemaxx=280 Density= 3.861081 logg= -0.006761 ETOT= -5.456362 -5.464646 7) Finished k-point 8 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.701076 logg= -0.014610 ETOT= -10.922648 -10.942451 12) Finished k-point 13 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=306 DM_nemaxx=282 Density= 3.854456 logg= -0.007213 ETOT= -5.461583 -5.470261 33) Finished k-point 34 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=302 DM_nemaxx=280 Density= 3.855938 logg= -0.007145 ETOT= -5.460277 -5.468889 32) Finished k-point 33 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 1.924536 logg= -0.003620 ETOT= -2.732737 -2.737395 35) Finished k-point 36 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 1.934464 logg= -0.003385 ETOT= -2.725893 -2.730162 23) Finished k-point 24 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.706173 logg= -0.014439 ETOT= -10.924039 -10.942051 29) Finished k-point 30 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=280 Density= 7.704629 logg= -0.014260 ETOT= -10.923130 -10.941869 24) Finished k-point 25 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.857046 logg= -0.007059 ETOT= -5.459448 -5.467994 22) Finished k-point 23 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.693620 logg= -0.014687 ETOT= -10.925681 -10.945579 Density= 7.723616 logg= -0.013936 ETOT= -10.910660 -10.928364 0) Finished k-point 1 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=306 DM_nemaxx=280 6) Finished k-point 7 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.846353 logg= -0.007578 ETOT= -5.466372 -5.476301 27) Finished k-point 28 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 7.709443 logg= -0.014515 ETOT= -10.917779 -10.936671 5) Finished k-point 6 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 3.854689 logg= -0.007254 ETOT= -5.459593 -5.468845 20) Finished k-point 21 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.712085 logg= -0.014259 ETOT= -10.919413 -10.937347 18) Finished k-point 19 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 3.852412 logg= -0.007232 ETOT= -5.462810 -5.471863 41) Finished k-point 42 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.691456 logg= -0.014906 ETOT= -10.933355 -10.952601 26) Finished k-point 27 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.700286 logg= -0.014528 ETOT= -10.926835 -10.945686 25) Finished k-point 26 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.856667 logg= -0.007004 ETOT= -5.459430 -5.468051 19) Finished k-point 20 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=278 Density= 7.709765 logg= -0.014228 ETOT= -10.920938 -10.938815 28) Finished k-point 29 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.847701 logg= -0.007421 ETOT= -5.465926 -5.475517 31) Finished k-point 32 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=278 Density= 3.851833 logg= -0.007274 ETOT= -5.463639 -5.472732 34) Finished k-point 35 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.856399 logg= -0.007092 ETOT= -5.459089 -5.467842 3) Finished k-point 4 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.711957 logg= -0.013999 ETOT= -10.917253 -10.935641 2) Finished k-point 3 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=282 Density= 7.699417 logg= -0.014745 ETOT= -10.929206 -10.947905 30) Finished k-point 31 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.707531 logg= -0.014625 ETOT= -10.917538 -10.937002 4) Finished k-point 5 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=282 Density= 7.705213 logg= -0.014520 ETOT= -10.919473 -10.939243 1) Finished k-point 2 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Sum of eigenvalues= -4551.12165053490 eV TrLogG= -4558.83512073313 eV Ratio to renormalize= 1.000000003086 rho-rho_expected=-0.000000728343 nargs= 1 argi=dmft2.def WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. 10) Finished k-point number 11 1 with #bands= 160 33) Finished k-point number 34 1 with #bands= 158 35) Finished k-point number 36 1 with #bands= 160 26) Finished k-point number 27 1 with #bands= 160 6) Finished k-point number 7 1 with #bands= 160 11) Finished k-point number 12 1 with #bands= 160 7) Finished k-point number 8 1 with #bands= 160 18) Finished k-point number 19 1 with #bands= 160 21) Finished k-point number 22 1 with #bands= 156 8) Finished k-point number 9 1 with #bands= 160 9) Finished k-point number 10 1 with #bands= 156 22) Finished k-point number 23 1 with #bands= 160 27) Finished k-point number 28 1 with #bands= 160 20) Finished k-point number 21 1 with #bands= 160 24) Finished k-point number 25 1 with #bands= 160 14) Finished k-point number 15 1 with #bands= 158 25) Finished k-point number 26 1 with #bands= 160 15) Finished k-point number 16 1 with #bands= 160 46) Finished k-point number 47 1 with #bands= 160 45) Finished k-point number 46 1 with #bands= 160 44) Finished k-point number 45 1 with #bands= 160 23) Finished k-point number 24 1 with #bands= 160 43) Finished k-point number 44 1 with #bands= 160 47) Finished k-point number 48 1 with #bands= 160 12) Finished k-point number 13 1 with #bands= 162 30) Finished k-point number 31 1 with #bands= 160 38) Finished k-point number 39 1 with #bands= 160 13) Finished k-point number 14 1 with #bands= 162 36) Finished k-point number 37 1 with #bands= 156 42) Finished k-point number 43 1 with #bands= 160 32) Finished k-point number 33 1 with #bands= 160 2) Finished k-point number 3 1 with #bands= 158 41) Finished k-point number 42 1 with #bands= 160 34) Finished k-point number 35 1 with #bands= 160 19) Finished k-point number 20 1 with #bands= 160 5) Finished k-point number 6 1 with #bands= 160 39) Finished k-point number 40 1 with #bands= 160 37) Finished k-point number 38 1 with #bands= 156 28) Finished k-point number 29 1 with #bands= 160 40) Finished k-point number 41 1 with #bands= 160 17) Finished k-point number 18 1 with #bands= 158 1) Finished k-point number 2 1 with #bands= 160 3) Finished k-point number 4 1 with #bands= 160 31) Finished k-point number 32 1 with #bands= 160 29) Finished k-point number 30 1 with #bands= 158 16) Finished k-point number 17 1 with #bands= 160 0) Finished k-point number 1 1 with #bands= 162 4) Finished k-point number 5 1 with #bands= 158 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.751762848454471 0.758640778965656 0.760738068618836 0.751890247528036 0.758096078648173 0.761199325528185 0.751592587365428 0.758266794312560 0.760859233458425 0.751915820111214 0.758231331607180 0.761455452958457 17) Finished k-point number 18 1 with #bands= 158 14) Finished k-point number 15 1 with #bands= 158 12) Finished k-point number 13 1 with #bands= 162 41) Finished k-point number 42 1 with #bands= 160 15) Finished k-point number 16 1 with #bands= 160 11) Finished k-point number 12 1 with #bands= 160 16) Finished k-point number 17 1 with #bands= 160 13) Finished k-point number 14 1 with #bands= 162 47) Finished k-point number 48 1 with #bands= 160 7) Finished k-point number 8 1 with #bands= 160 44) Finished k-point number 45 1 with #bands= 160 43) Finished k-point number 44 1 with #bands= 160 46) Finished k-point number 47 1 with #bands= 160 45) Finished k-point number 46 1 with #bands= 160 9) Finished k-point number 10 1 with #bands= 156 42) Finished k-point number 43 1 with #bands= 160 36) Finished k-point number 37 1 with #bands= 156 10) Finished k-point number 11 1 with #bands= 160 8) Finished k-point number 9 1 with #bands= 160 6) Finished k-point number 7 1 with #bands= 160 39) Finished k-point number 40 1 with #bands= 160 37) Finished k-point number 38 1 with #bands= 156 40) Finished k-point number 41 1 with #bands= 160 21) Finished k-point number 22 1 with #bands= 156 38) Finished k-point number 39 1 with #bands= 160 22) Finished k-point number 23 1 with #bands= 160 23) Finished k-point number 24 1 with #bands= 160 20) Finished k-point number 21 1 with #bands= 160 0) Finished k-point number 1 1 with #bands= 162 27) Finished k-point number 28 1 with #bands= 160 32) Finished k-point number 33 1 with #bands= 160 2) Finished k-point number 3 1 with #bands= 158 3) Finished k-point number 4 1 with #bands= 160 5) Finished k-point number 6 1 with #bands= 160 29) Finished k-point number 30 1 with #bands= 158 19) Finished k-point number 20 1 with #bands= 160 25) Finished k-point number 26 1 with #bands= 160 35) Finished k-point number 36 1 with #bands= 160 18) Finished k-point number 19 1 with #bands= 160 28) Finished k-point number 29 1 with #bands= 160 31) Finished k-point number 32 1 with #bands= 160 30) Finished k-point number 31 1 with #bands= 160 1) Finished k-point number 2 1 with #bands= 160 4) Finished k-point number 5 1 with #bands= 158 24) Finished k-point number 25 1 with #bands= 160 33) Finished k-point number 34 1 with #bands= 158 26) Finished k-point number 27 1 with #bands= 160 34) Finished k-point number 35 1 with #bands= 160 Data-size pr_processor[MBy]= 0.8651733 Total datasize is[MBy]= 41.52832 max_nbands= 162 nomega= 350 pr_proc= 1 nprocs= 48 EF 8.55527284071496 Density= 236.019698003729 236.000000000000 EF 8.28315900860138 Density= 233.811651086883 236.000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.62880101 0.60880101 0.196980E-01 -2.18835 1 0.62862259 0.60880101 0.296362E-02 -2.18835 2 0.62859104 0.62862259 -0.350603E-04 0.296362E-02 3 0.62859141 0.62859104 0.687332E-07 -0.350603E-04 4 0.62859140 0.62859104 0.153477E-11 -0.350603E-04 Absolute convergence of |F(X)|. Difference in EF= -0.0028518479 EF set to : 8.5524209929 new EF (no-mixing): 8.5524209929 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 Density= 7.708284 logg= -0.014516 ETOT= -10.920119 -10.938617 17) Finished k-point 18 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=280 Density= 7.706534 logg= -0.014566 ETOT= -10.919651 -10.938661 16) Finished k-point 17 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 3.853623 logg= -0.007289 ETOT= -5.460816 -5.469846 15) Finished k-point 16 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 7.701305 logg= -0.014634 ETOT= -10.921913 -10.941807 12) Finished k-point 13 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=306 DM_nemaxx=282 Density= 7.724419 logg= -0.013961 ETOT= -10.909554 -10.927353 6) Finished k-point 7 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 1.915695 logg= -0.003836 ETOT= -2.738369 -2.743303 43) Finished k-point 44 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 1.942051 logg= -0.003271 ETOT= -2.720723 -2.724734 11) Finished k-point 12 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.706921 logg= -0.014365 ETOT= -10.921185 -10.939855 14) Finished k-point 15 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=280 Density= 7.703659 logg= -0.014540 ETOT= -10.922113 -10.941546 13) Finished k-point 14 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=306 DM_nemaxx=280 Density= 1.923173 logg= -0.003689 ETOT= -2.733599 -2.738348 46) Finished k-point 47 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 0.958869 logg= -0.001875 ETOT= -1.368643 -1.371062 47) Finished k-point 48 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=272 Density= 1.938864 logg= -0.003366 ETOT= -2.723224 -2.727482 44) Finished k-point 45 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.853651 logg= -0.007188 ETOT= -5.461254 -5.469988 36) Finished k-point 37 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=300 DM_nemaxx=276 Density= 3.850114 logg= -0.007412 ETOT= -5.463604 -5.473021 37) Finished k-point 38 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=300 DM_nemaxx=276 Density= 1.927248 logg= -0.003524 ETOT= -2.730777 -2.735182 45) Finished k-point 46 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 1.935106 logg= -0.003390 ETOT= -2.725332 -2.729635 23) Finished k-point 24 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.844393 logg= -0.007515 ETOT= -5.468050 -5.477766 42) Finished k-point 43 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 3.855607 logg= -0.007251 ETOT= -5.458413 -5.467593 9) Finished k-point 10 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=300 DM_nemaxx=280 Density= 3.860952 logg= -0.006771 ETOT= -5.456151 -5.464460 7) Finished k-point 8 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.858268 logg= -0.006939 ETOT= -5.458596 -5.467129 40) Finished k-point 41 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.855623 logg= -0.007157 ETOT= -5.460188 -5.468832 Density= 7.707178 logg= -0.014651 ETOT= -10.917179 -10.936711 32) Finished k-point 33 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 4) Finished k-point 5 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=282 Density= 7.705781 logg= -0.014462 ETOT= -10.923707 -10.941794 Density= 3.856454 logg= -0.007014 ETOT= -5.459276 -5.467933 29) Finished k-point 30 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=280 19) Finished k-point 20 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=278 Density= 7.711724 logg= -0.014283 ETOT= -10.919060 -10.937056 18) Finished k-point 19 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 3.854708 logg= -0.007326 ETOT= -5.458178 -5.467864 8) Finished k-point 9 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=278 Density= 7.700458 logg= -0.014551 ETOT= -10.926138 -10.945074 25) Finished k-point 26 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.852282 logg= -0.007242 ETOT= -5.462602 -5.471691 41) Finished k-point 42 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.856714 logg= -0.007070 ETOT= -5.459369 -5.467934 22) Finished k-point 23 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.858972 logg= -0.006953 ETOT= -5.457334 -5.465831 10) Finished k-point 11 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.704680 logg= -0.014282 ETOT= -10.922511 -10.941334 24) Finished k-point 25 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.709347 logg= -0.014251 ETOT= -10.920622 -10.938576 28) Finished k-point 29 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.711842 logg= -0.014024 ETOT= -10.916740 -10.935216 2) Finished k-point 3 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=282 Density= 1.913944 logg= -0.003851 ETOT= -2.739291 -2.744297 39) Finished k-point 40 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 3.855429 logg= -0.007333 ETOT= -5.459742 -5.468743 21) Finished k-point 22 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=300 DM_nemaxx=280 Density= 3.840114 logg= -0.007599 ETOT= -5.470312 -5.480252 38) Finished k-point 39 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 3.854400 logg= -0.007268 ETOT= -5.459488 -5.468779 20) Finished k-point 21 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.694526 logg= -0.014710 ETOT= -10.924499 -10.944507 0) Finished k-point 1 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=306 DM_nemaxx=280 Density= 3.854167 logg= -0.007224 ETOT= -5.461477 -5.470186 33) Finished k-point 34 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=302 DM_nemaxx=280 Density= 3.846678 logg= -0.007588 ETOT= -5.465871 -5.475842 27) Finished k-point 28 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 7.705186 logg= -0.014545 ETOT= -10.918904 -10.938761 1) Finished k-point 2 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 3.851657 logg= -0.007283 ETOT= -5.463459 -5.472588 34) Finished k-point 35 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.692226 logg= -0.014926 ETOT= -10.932271 -10.951607 26) Finished k-point 27 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=278 Density= 3.856032 logg= -0.007105 ETOT= -5.459034 -5.467807 3) Finished k-point 4 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 1.924642 logg= -0.003624 ETOT= -2.732522 -2.737201 35) Finished k-point 36 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.708955 logg= -0.014542 ETOT= -10.917511 -10.936483 5) Finished k-point 6 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 7.699558 logg= -0.014765 ETOT= -10.928530 -10.947308 30) Finished k-point 31 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.847986 logg= -0.007430 ETOT= -5.465450 -5.475082 31) Finished k-point 32 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=278 Sum of eigenvalues= -4550.87739531331 eV TrLogG= -4558.62352805159 eV Ratio to renormalize= 1.000000002818 rho-rho_expected=-0.000000665091 nargs= 1 argi=dmft2.def WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. 9) Finished k-point number 10 1 with #bands= 156 19) Finished k-point number 20 1 with #bands= 160 11) Finished k-point number 12 1 with #bands= 160 7) Finished k-point number 8 1 with #bands= 160 22) Finished k-point number 23 1 with #bands= 160 33) Finished k-point number 34 1 with #bands= 158 5) Finished k-point number 6 1 with #bands= 160 27) Finished k-point number 28 1 with #bands= 160 6) Finished k-point number 7 1 with #bands= 160 20) Finished k-point number 21 1 with #bands= 160 23) Finished k-point number 24 1 with #bands= 160 18) Finished k-point number 19 1 with #bands= 160 17) Finished k-point number 18 1 with #bands= 158 10) Finished k-point number 11 1 with #bands= 160 47) Finished k-point number 48 1 with #bands= 160 26) Finished k-point number 27 1 with #bands= 160 40) Finished k-point number 41 1 with #bands= 160 38) Finished k-point number 39 1 with #bands= 160 37) Finished k-point number 38 1 with #bands= 156 8) Finished k-point number 9 1 with #bands= 160 12) Finished k-point number 13 1 with #bands= 162 0) Finished k-point number 1 1 with #bands= 162 39) Finished k-point number 40 1 with #bands= 160 14) Finished k-point number 15 1 with #bands= 158 44) Finished k-point number 45 1 with #bands= 160 21) Finished k-point number 22 1 with #bands= 156 28) Finished k-point number 29 1 with #bands= 160 15) Finished k-point number 16 1 with #bands= 160 16) Finished k-point number 17 1 with #bands= 160 1) Finished k-point number 2 1 with #bands= 160 43) Finished k-point number 44 1 with #bands= 160 45) Finished k-point number 46 1 with #bands= 160 13) Finished k-point number 14 1 with #bands= 162 42) Finished k-point number 43 1 with #bands= 160 41) Finished k-point number 42 1 with #bands= 160 25) Finished k-point number 26 1 with #bands= 160 29) Finished k-point number 30 1 with #bands= 158 46) Finished k-point number 47 1 with #bands= 160 24) Finished k-point number 25 1 with #bands= 160 36) Finished k-point number 37 1 with #bands= 156 35) Finished k-point number 36 1 with #bands= 160 32) Finished k-point number 33 1 with #bands= 160 4) Finished k-point number 5 1 with #bands= 158 31) Finished k-point number 32 1 with #bands= 160 34) Finished k-point number 35 1 with #bands= 160 3) Finished k-point number 4 1 with #bands= 160 30) Finished k-point number 31 1 with #bands= 160 2) Finished k-point number 3 1 with #bands= 158 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.751750448522257 0.758639922953549 0.760730629266303 0.751880042433439 0.758083023289120 0.761203327175842 0.751576639037759 0.758259926036714 0.760865243469922 0.751901144066736 0.758224806778378 0.761452964216236 9) Finished k-point number 10 1 with #bands= 156 10) Finished k-point number 11 1 with #bands= 160 17) Finished k-point number 18 1 with #bands= 158 11) Finished k-point number 12 1 with #bands= 160 40) Finished k-point number 41 1 with #bands= 160 38) Finished k-point number 39 1 with #bands= 160 37) Finished k-point number 38 1 with #bands= 156 14) Finished k-point number 15 1 with #bands= 158 12) Finished k-point number 13 1 with #bands= 162 47) Finished k-point number 48 1 with #bands= 160 45) Finished k-point number 46 1 with #bands= 160 44) Finished k-point number 45 1 with #bands= 160 36) Finished k-point number 37 1 with #bands= 156 42) Finished k-point number 43 1 with #bands= 160 8) Finished k-point number 9 1 with #bands= 160 39) Finished k-point number 40 1 with #bands= 160 41) Finished k-point number 42 1 with #bands= 160 16) Finished k-point number 17 1 with #bands= 160 15) Finished k-point number 16 1 with #bands= 160 7) Finished k-point number 8 1 with #bands= 160 46) Finished k-point number 47 1 with #bands= 160 43) Finished k-point number 44 1 with #bands= 160 23) Finished k-point number 24 1 with #bands= 160 6) Finished k-point number 7 1 with #bands= 160 4) Finished k-point number 5 1 with #bands= 158 13) Finished k-point number 14 1 with #bands= 162 0) Finished k-point number 1 1 with #bands= 162 1) Finished k-point number 2 1 with #bands= 160 3) Finished k-point number 4 1 with #bands= 160 22) Finished k-point number 23 1 with #bands= 160 29) Finished k-point number 30 1 with #bands= 158 24) Finished k-point number 25 1 with #bands= 160 20) Finished k-point number 21 1 with #bands= 160 5) Finished k-point number 6 1 with #bands= 160 28) Finished k-point number 29 1 with #bands= 160 21) Finished k-point number 22 1 with #bands= 156 18) Finished k-point number 19 1 with #bands= 160 33) Finished k-point number 34 1 with #bands= 158 34) Finished k-point number 35 1 with #bands= 160 19) Finished k-point number 20 1 with #bands= 160 35) Finished k-point number 36 1 with #bands= 160 30) Finished k-point number 31 1 with #bands= 160 27) Finished k-point number 28 1 with #bands= 160 2) Finished k-point number 3 1 with #bands= 158 32) Finished k-point number 33 1 with #bands= 160 25) Finished k-point number 26 1 with #bands= 160 31) Finished k-point number 32 1 with #bands= 160 26) Finished k-point number 27 1 with #bands= 160 Data-size pr_processor[MBy]= 0.8651733 Total datasize is[MBy]= 41.52832 max_nbands= 162 nomega= 350 pr_proc= 1 nprocs= 48 EF 8.55242099285082 Density= 236.030002558394 236.000000000000 EF 8.28030716073724 Density= 233.821872906088 236.000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.62859140 0.60859141 0.300026E-01 -2.17813 1 0.62831966 0.60859141 0.438669E-02 -2.17813 2 0.62827322 0.62831966 -0.782225E-04 0.438669E-02 3 0.62827403 0.62827322 0.221587E-06 -0.782225E-04 4 0.62827403 0.62827322 0.111129E-10 -0.782225E-04 Absolute convergence of |F(X)|. Difference in EF= -0.0043181431 EF set to : 8.5481028498 new EF (no-mixing): 8.5481028498 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 Density= 0.958849 logg= -0.001870 ETOT= -1.368638 -1.371053 47) Finished k-point 48 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=272 Density= 7.708455 logg= -0.014444 ETOT= -10.919854 -10.938291 17) Finished k-point 18 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=280 Density= 7.706702 logg= -0.014469 ETOT= -10.919386 -10.938334 16) Finished k-point 17 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 3.850178 logg= -0.007378 ETOT= -5.463486 -5.472883 37) Finished k-point 38 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=300 DM_nemaxx=276 Density= 3.859059 logg= -0.006931 ETOT= -5.457201 -5.465672 10) Finished k-point 11 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 1.927249 logg= -0.003513 ETOT= -2.730739 -2.735140 45) Finished k-point 46 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.724475 logg= -0.013892 ETOT= -10.909365 -10.927121 6) Finished k-point 7 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.855546 logg= -0.007286 ETOT= -5.459588 -5.468538 21) Finished k-point 22 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=300 DM_nemaxx=280 Density= 3.860920 logg= -0.006750 ETOT= -5.456097 -5.464378 7) Finished k-point 8 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 1.938839 logg= -0.003355 ETOT= -2.723202 -2.727459 44) Finished k-point 45 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.709135 logg= -0.014448 ETOT= -10.917237 -10.936152 5) Finished k-point 6 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 3.855727 logg= -0.007134 ETOT= -5.460044 -5.468679 32) Finished k-point 33 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.848024 logg= -0.007407 ETOT= -5.465350 -5.474971 31) Finished k-point 32 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=278 Density= 1.935078 logg= -0.003380 ETOT= -2.725312 -2.729614 23) Finished k-point 24 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.705059 logg= -0.014464 ETOT= -10.918830 -10.938637 1) Finished k-point 2 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 3.856793 logg= -0.007048 ETOT= -5.459242 -5.467779 22) Finished k-point 23 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 1.923206 logg= -0.003678 ETOT= -2.733540 -2.738284 46) Finished k-point 47 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.856485 logg= -0.006992 ETOT= -5.459180 -5.467830 19) Finished k-point 20 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=278 Density= 3.846686 logg= -0.007542 ETOT= -5.465789 -5.475726 27) Finished k-point 28 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 7.703564 logg= -0.014466 ETOT= -10.922020 -10.941406 13) Finished k-point 14 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=306 DM_nemaxx=282 Density= 7.706961 logg= -0.014294 ETOT= -10.921005 -10.939634 14) Finished k-point 15 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=282 Density= 3.855733 logg= -0.007203 ETOT= -5.458253 -5.467405 9) Finished k-point 10 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=300 DM_nemaxx=280 Density= 1.913826 logg= -0.003827 ETOT= -2.739329 -2.744313 39) Finished k-point 40 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 3.854814 logg= -0.007275 ETOT= -5.458031 -5.467684 8) Finished k-point 9 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=278 Density= 1.942013 logg= -0.003260 ETOT= -2.720709 -2.724713 11) Finished k-point 12 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.858271 logg= -0.006917 ETOT= -5.458519 -5.467045 40) Finished k-point 41 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.711800 logg= -0.014214 ETOT= -10.918858 -10.936795 18) Finished k-point 19 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 7.700474 logg= -0.014480 ETOT= -10.925974 -10.944866 Density= 7.692088 logg= -0.014855 ETOT= -10.932207 -10.951493 25) Finished k-point 26 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 26) Finished k-point 27 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.705924 logg= -0.014393 ETOT= -10.923462 -10.941510 29) Finished k-point 30 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=280 Density= 3.854518 logg= -0.007220 ETOT= -5.459333 -5.468595 20) Finished k-point 21 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.852349 logg= -0.007220 ETOT= -5.462483 -5.471563 41) Finished k-point 42 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.701079 logg= -0.014538 ETOT= -10.921904 -10.941727 12) Finished k-point 13 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=306 DM_nemaxx=282 Density= 3.853696 logg= -0.007266 ETOT= -5.460693 -5.469714 15) Finished k-point 16 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=278 Density= 3.853717 logg= -0.007166 ETOT= -5.461136 -5.469854 36) Finished k-point 37 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=300 DM_nemaxx=276 Density= 3.844422 logg= -0.007481 ETOT= -5.467955 -5.477648 42) Finished k-point 43 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 1.924658 logg= -0.003613 ETOT= -2.732474 -2.737147 Density= 7.693095 logg= -0.014609 ETOT= -10.925275 -10.945176 35) Finished k-point 36 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 0) Finished k-point 1 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=306 DM_nemaxx=280 Density= 7.709477 logg= -0.014182 ETOT= -10.920385 -10.938301 28) Finished k-point 29 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.856113 logg= -0.007083 ETOT= -5.458906 -5.467651 3) Finished k-point 4 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 1.915604 logg= -0.003821 ETOT= -2.738389 -2.743310 43) Finished k-point 44 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 7.707275 logg= -0.014550 ETOT= -10.916958 -10.936405 Density= 7.711732 logg= -0.013954 ETOT= -10.916659 -10.935093 4) Finished k-point 5 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=282 2) Finished k-point 3 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=282 Density= 3.854261 logg= -0.007202 ETOT= -5.461340 -5.470039 Density= 7.704679 logg= -0.014212 ETOT= -10.922360 -10.941140 33) Finished k-point 34 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=302 DM_nemaxx=280 24) Finished k-point 25 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.851717 logg= -0.007262 ETOT= -5.463345 -5.472466 34) Finished k-point 35 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.840013 logg= -0.007553 ETOT= -5.470301 -5.480202 38) Finished k-point 39 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 7.699666 logg= -0.014697 ETOT= -10.928308 -10.947045 30) Finished k-point 31 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Sum of eigenvalues= -4550.81345371515 eV TrLogG= -4558.53920398481 eV Ratio to renormalize= 1.000000003021 rho-rho_expected=-0.000000712920 nargs= 1 argi=dmft2.def WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. 11) Finished k-point number 12 1 with #bands= 160 19) Finished k-point number 20 1 with #bands= 160 6) Finished k-point number 7 1 with #bands= 160 34) Finished k-point number 35 1 with #bands= 160 1) Finished k-point number 2 1 with #bands= 160 22) Finished k-point number 23 1 with #bands= 160 32) Finished k-point number 33 1 with #bands= 160 26) Finished k-point number 27 1 with #bands= 160 10) Finished k-point number 11 1 with #bands= 160 2) Finished k-point number 3 1 with #bands= 158 9) Finished k-point number 10 1 with #bands= 156 7) Finished k-point number 8 1 with #bands= 160 33) Finished k-point number 34 1 with #bands= 158 5) Finished k-point number 6 1 with #bands= 160 41) Finished k-point number 42 1 with #bands= 160 27) Finished k-point number 28 1 with #bands= 160 28) Finished k-point number 29 1 with #bands= 160 14) Finished k-point number 15 1 with #bands= 158 16) Finished k-point number 17 1 with #bands= 160 20) Finished k-point number 21 1 with #bands= 160 13) Finished k-point number 14 1 with #bands= 162 43) Finished k-point number 44 1 with #bands= 160 46) Finished k-point number 47 1 with #bands= 160 15) Finished k-point number 16 1 with #bands= 160 42) Finished k-point number 43 1 with #bands= 160 40) Finished k-point number 41 1 with #bands= 160 37) Finished k-point number 38 1 with #bands= 156 30) Finished k-point number 31 1 with #bands= 160 47) Finished k-point number 48 1 with #bands= 160 31) Finished k-point number 32 1 with #bands= 160 29) Finished k-point number 30 1 with #bands= 158 25) Finished k-point number 26 1 with #bands= 160 8) Finished k-point number 9 1 with #bands= 160 36) Finished k-point number 37 1 with #bands= 156 24) Finished k-point number 25 1 with #bands= 160 21) Finished k-point number 22 1 with #bands= 156 17) Finished k-point number 18 1 with #bands= 158 39) Finished k-point number 40 1 with #bands= 160 0) Finished k-point number 1 1 with #bands= 162 12) Finished k-point number 13 1 with #bands= 162 38) Finished k-point number 39 1 with #bands= 160 44) Finished k-point number 45 1 with #bands= 160 18) Finished k-point number 19 1 with #bands= 160 4) Finished k-point number 5 1 with #bands= 158 45) Finished k-point number 46 1 with #bands= 160 35) Finished k-point number 36 1 with #bands= 160 3) Finished k-point number 4 1 with #bands= 160 23) Finished k-point number 24 1 with #bands= 160 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.751774832318265 0.758653438445802 0.760748618606428 0.751890741732587 0.758111247533754 0.761219913062148 0.751592093517957 0.758274048784358 0.760887609098409 0.751916519843415 0.758237903632648 0.761478260413830 8) Finished k-point number 9 1 with #bands= 160 11) Finished k-point number 12 1 with #bands= 160 40) Finished k-point number 41 1 with #bands= 160 36) Finished k-point number 37 1 with #bands= 156 16) Finished k-point number 17 1 with #bands= 160 17) Finished k-point number 18 1 with #bands= 158 13) Finished k-point number 14 1 with #bands= 162 39) Finished k-point number 40 1 with #bands= 160 14) Finished k-point number 15 1 with #bands= 158 41) Finished k-point number 42 1 with #bands= 160 15) Finished k-point number 16 1 with #bands= 160 47) Finished k-point number 48 1 with #bands= 160 43) Finished k-point number 44 1 with #bands= 160 46) Finished k-point number 47 1 with #bands= 160 9) Finished k-point number 10 1 with #bands= 156 12) Finished k-point number 13 1 with #bands= 162 45) Finished k-point number 46 1 with #bands= 160 21) Finished k-point number 22 1 with #bands= 156 37) Finished k-point number 38 1 with #bands= 156 38) Finished k-point number 39 1 with #bands= 160 6) Finished k-point number 7 1 with #bands= 160 10) Finished k-point number 11 1 with #bands= 160 7) Finished k-point number 8 1 with #bands= 160 20) Finished k-point number 21 1 with #bands= 160 44) Finished k-point number 45 1 with #bands= 160 23) Finished k-point number 24 1 with #bands= 160 33) Finished k-point number 34 1 with #bands= 158 4) Finished k-point number 5 1 with #bands= 158 1) Finished k-point number 2 1 with #bands= 160 42) Finished k-point number 43 1 with #bands= 160 22) Finished k-point number 23 1 with #bands= 160 0) Finished k-point number 1 1 with #bands= 162 19) Finished k-point number 20 1 with #bands= 160 5) Finished k-point number 6 1 with #bands= 160 32) Finished k-point number 33 1 with #bands= 160 29) Finished k-point number 30 1 with #bands= 158 18) Finished k-point number 19 1 with #bands= 160 27) Finished k-point number 28 1 with #bands= 160 31) Finished k-point number 32 1 with #bands= 160 28) Finished k-point number 29 1 with #bands= 160 35) Finished k-point number 36 1 with #bands= 160 34) Finished k-point number 35 1 with #bands= 160 30) Finished k-point number 31 1 with #bands= 160 24) Finished k-point number 25 1 with #bands= 160 3) Finished k-point number 4 1 with #bands= 160 2) Finished k-point number 3 1 with #bands= 158 25) Finished k-point number 26 1 with #bands= 160 26) Finished k-point number 27 1 with #bands= 160 Data-size pr_processor[MBy]= 0.8651733 Total datasize is[MBy]= 41.52832 max_nbands= 162 nomega= 350 pr_proc= 1 nprocs= 48 EF 8.54810284977030 Density= 236.018880171221 236.000000000000 EF 8.27598901765672 Density= 233.791434250484 236.000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.62827403 0.60827403 0.188802E-01 -2.20857 1 0.62810450 0.60827403 0.264670E-02 -2.20857 2 0.62807690 0.62810450 -0.295486E-04 0.264670E-02 3 0.62807720 0.62807690 0.502634E-07 -0.295486E-04 4 0.62807720 0.62807690 0.937916E-12 -0.295486E-04 Absolute convergence of |F(X)|. Difference in EF= -0.0026779354 EF set to : 8.5454249144 new EF (no-mixing): 8.5454249144 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 Density= 3.854743 logg= -0.007133 ETOT= -5.458308 -5.467804 8) Finished k-point 9 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 1.913675 logg= -0.003755 ETOT= -2.739542 -2.744441 39) Finished k-point 40 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 3.850177 logg= -0.007233 ETOT= -5.463717 -5.472957 37) Finished k-point 38 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=300 DM_nemaxx=276 Density= 0.958881 logg= -0.001834 ETOT= -1.368674 -1.371050 47) Finished k-point 48 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=272 Density= 1.942132 logg= -0.003190 ETOT= -2.720749 -2.724677 11) Finished k-point 12 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 1.923358 logg= -0.003606 ETOT= -2.733556 -2.738226 46) Finished k-point 47 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 1.927260 logg= -0.003441 ETOT= -2.730848 -2.735170 45) Finished k-point 46 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.853665 logg= -0.007124 ETOT= -5.460944 -5.469810 Density= 7.708340 logg= -0.014158 ETOT= -10.920390 -10.938504 15) Finished k-point 16 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 17) Finished k-point 18 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=280 Density= 7.706963 logg= -0.014008 ETOT= -10.921465 -10.939783 14) Finished k-point 15 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=282 Density= 7.700962 logg= -0.014252 ETOT= -10.922441 -10.941948 12) Finished k-point 13 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=306 DM_nemaxx=282 Density= 3.855481 logg= -0.007141 ETOT= -5.459862 -5.468643 21) Finished k-point 22 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=300 DM_nemaxx=280 Density= 7.706584 logg= -0.014181 ETOT= -10.919924 -10.938555 16) Finished k-point 17 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 3.844746 logg= -0.007335 ETOT= -5.467976 -5.477516 42) Finished k-point 43 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=278 Density= 7.724856 logg= -0.013603 ETOT= -10.909579 -10.927030 6) Finished k-point 7 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 3.860869 logg= -0.006607 ETOT= -5.456359 -5.464475 7) Finished k-point 8 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 1.935378 logg= -0.003308 ETOT= -2.725234 -2.729464 23) Finished k-point 24 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.703555 logg= -0.014182 ETOT= -10.922487 -10.941562 13) Finished k-point 14 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=306 DM_nemaxx=282 Density= 3.855659 logg= -0.007059 ETOT= -5.458531 -5.467525 9) Finished k-point 10 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=300 DM_nemaxx=280 Density= 3.852372 logg= -0.007075 ETOT= -5.462697 -5.471623 41) Finished k-point 42 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 1.915547 logg= -0.003748 ETOT= -2.738541 -2.743380 43) Finished k-point 44 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 3.840231 logg= -0.007407 ETOT= -5.470391 -5.480136 38) Finished k-point 39 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 7.711710 logg= -0.013925 ETOT= -10.919377 -10.936990 18) Finished k-point 19 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 3.854449 logg= -0.007076 ETOT= -5.459609 -5.468713 20) Finished k-point 21 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.855713 logg= -0.006990 ETOT= -5.460284 -5.468763 32) Finished k-point 33 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 1.939069 logg= -0.003284 ETOT= -2.723169 -2.727355 44) Finished k-point 45 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.853681 logg= -0.007023 ETOT= -5.461389 -5.469949 36) Finished k-point 37 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=300 DM_nemaxx=276 Density= 3.859031 logg= -0.006787 ETOT= -5.457450 -5.465755 10) Finished k-point 11 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.700626 logg= -0.014193 ETOT= -10.926338 -10.944920 25) Finished k-point 26 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.856473 logg= -0.006848 ETOT= -5.459417 -5.467912 19) Finished k-point 20 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.848245 logg= -0.007263 ETOT= -5.465437 -5.474905 Density= 3.851728 logg= -0.007118 ETOT= -5.463568 -5.472534 31) Finished k-point 32 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=278 34) Finished k-point 35 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.858287 logg= -0.006772 ETOT= -5.458738 -5.467109 40) Finished k-point 41 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.854251 logg= -0.007058 ETOT= -5.461577 -5.470119 33) Finished k-point 34 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=302 DM_nemaxx=280 Density= 7.711550 logg= -0.013668 ETOT= -10.917238 -10.935358 2) Finished k-point 3 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=282 Density= 3.856782 logg= -0.006905 ETOT= -5.459479 -5.467852 22) Finished k-point 23 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.856040 logg= -0.006942 ETOT= -5.459184 -5.467764 3) Finished k-point 4 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 7.709005 logg= -0.014160 ETOT= -10.917783 -10.936381 5) Finished k-point 6 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 1.924763 logg= -0.003541 ETOT= -2.732522 -2.737119 35) Finished k-point 36 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.704751 logg= -0.013924 ETOT= -10.922774 -10.941243 24) Finished k-point 25 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.704951 logg= -0.014179 ETOT= -10.919361 -10.938854 1) Finished k-point 2 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 7.707140 logg= -0.014265 ETOT= -10.917509 -10.936632 4) Finished k-point 5 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=282 Density= 7.692245 logg= -0.014568 ETOT= -10.932567 -10.951542 26) Finished k-point 27 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.699904 logg= -0.014408 ETOT= -10.928615 -10.947042 30) Finished k-point 31 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 7.691982 logg= -0.014327 ETOT= -10.926462 -10.946026 0) Finished k-point 1 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=306 DM_nemaxx=280 Density= 3.846873 logg= -0.007397 ETOT= -5.465900 -5.475681 27) Finished k-point 28 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 7.709403 logg= -0.013893 ETOT= -10.920894 -10.938495 28) Finished k-point 29 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.705913 logg= -0.014104 ETOT= -10.923930 -10.941665 29) Finished k-point 30 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=280 Sum of eigenvalues= -4551.00576736439 eV TrLogG= -4558.60011129812 eV Ratio to renormalize= 1.000000002950 rho-rho_expected=-0.000000696113 nargs= 1 argi=dmft2.def WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. 7) Finished k-point number 8 1 with #bands= 160 6) Finished k-point number 7 1 with #bands= 160 10) Finished k-point number 11 1 with #bands= 160 8) Finished k-point number 9 1 with #bands= 160 31) Finished k-point number 32 1 with #bands= 160 29) Finished k-point number 30 1 with #bands= 158 28) Finished k-point number 29 1 with #bands= 160 21) Finished k-point number 22 1 with #bands= 156 5) Finished k-point number 6 1 with #bands= 160 1) Finished k-point number 2 1 with #bands= 160 24) Finished k-point number 25 1 with #bands= 160 17) Finished k-point number 18 1 with #bands= 158 20) Finished k-point number 21 1 with #bands= 160 12) Finished k-point number 13 1 with #bands= 162 13) Finished k-point number 14 1 with #bands= 162 14) Finished k-point number 15 1 with #bands= 158 27) Finished k-point number 28 1 with #bands= 160 25) Finished k-point number 26 1 with #bands= 160 11) Finished k-point number 12 1 with #bands= 160 39) Finished k-point number 40 1 with #bands= 160 43) Finished k-point number 44 1 with #bands= 160 41) Finished k-point number 42 1 with #bands= 160 15) Finished k-point number 16 1 with #bands= 160 42) Finished k-point number 43 1 with #bands= 160 46) Finished k-point number 47 1 with #bands= 160 40) Finished k-point number 41 1 with #bands= 160 44) Finished k-point number 45 1 with #bands= 160 9) Finished k-point number 10 1 with #bands= 156 22) Finished k-point number 23 1 with #bands= 160 36) Finished k-point number 37 1 with #bands= 156 16) Finished k-point number 17 1 with #bands= 160 45) Finished k-point number 46 1 with #bands= 160 38) Finished k-point number 39 1 with #bands= 160 23) Finished k-point number 24 1 with #bands= 160 33) Finished k-point number 34 1 with #bands= 158 19) Finished k-point number 20 1 with #bands= 160 37) Finished k-point number 38 1 with #bands= 156 47) Finished k-point number 48 1 with #bands= 160 18) Finished k-point number 19 1 with #bands= 160 4) Finished k-point number 5 1 with #bands= 158 26) Finished k-point number 27 1 with #bands= 160 0) Finished k-point number 1 1 with #bands= 162 30) Finished k-point number 31 1 with #bands= 160 3) Finished k-point number 4 1 with #bands= 160 34) Finished k-point number 35 1 with #bands= 160 32) Finished k-point number 33 1 with #bands= 160 35) Finished k-point number 36 1 with #bands= 160 2) Finished k-point number 3 1 with #bands= 158 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.751755354091301 0.758634582982038 0.760735157253853 0.751878423430077 0.758086950730839 0.761201629763166 0.751577951746998 0.758253358609124 0.760872964235735 0.751901841317274 0.758225678562319 0.761453454118068 40) Finished k-point number 41 1 with #bands= 160 38) Finished k-point number 39 1 with #bands= 160 46) Finished k-point number 47 1 with #bands= 160 45) Finished k-point number 46 1 with #bands= 160 13) Finished k-point number 14 1 with #bands= 162 36) Finished k-point number 37 1 with #bands= 156 9) Finished k-point number 10 1 with #bands= 156 15) Finished k-point number 16 1 with #bands= 160 10) Finished k-point number 11 1 with #bands= 160 47) Finished k-point number 48 1 with #bands= 160 43) Finished k-point number 44 1 with #bands= 160 17) Finished k-point number 18 1 with #bands= 158 37) Finished k-point number 38 1 with #bands= 156 44) Finished k-point number 45 1 with #bands= 160 42) Finished k-point number 43 1 with #bands= 160 12) Finished k-point number 13 1 with #bands= 162 21) Finished k-point number 22 1 with #bands= 156 8) Finished k-point number 9 1 with #bands= 160 39) Finished k-point number 40 1 with #bands= 160 14) Finished k-point number 15 1 with #bands= 158 16) Finished k-point number 17 1 with #bands= 160 11) Finished k-point number 12 1 with #bands= 160 41) Finished k-point number 42 1 with #bands= 160 7) Finished k-point number 8 1 with #bands= 160 23) Finished k-point number 24 1 with #bands= 160 6) Finished k-point number 7 1 with #bands= 160 20) Finished k-point number 21 1 with #bands= 160 24) Finished k-point number 25 1 with #bands= 160 4) Finished k-point number 5 1 with #bands= 158 32) Finished k-point number 33 1 with #bands= 160 25) Finished k-point number 26 1 with #bands= 160 2) Finished k-point number 3 1 with #bands= 158 33) Finished k-point number 34 1 with #bands= 158 27) Finished k-point number 28 1 with #bands= 160 5) Finished k-point number 6 1 with #bands= 160 3) Finished k-point number 4 1 with #bands= 160 22) Finished k-point number 23 1 with #bands= 160 34) Finished k-point number 35 1 with #bands= 160 18) Finished k-point number 19 1 with #bands= 160 28) Finished k-point number 29 1 with #bands= 160 19) Finished k-point number 20 1 with #bands= 160 31) Finished k-point number 32 1 with #bands= 160 29) Finished k-point number 30 1 with #bands= 158 26) Finished k-point number 27 1 with #bands= 160 1) Finished k-point number 2 1 with #bands= 160 35) Finished k-point number 36 1 with #bands= 160 0) Finished k-point number 1 1 with #bands= 162 30) Finished k-point number 31 1 with #bands= 160 Data-size pr_processor[MBy]= 0.8651733 Total datasize is[MBy]= 41.52832 max_nbands= 162 nomega= 350 pr_proc= 1 nprocs= 48 EF 8.54542491438367 Density= 236.018996906494 236.000000000000 EF 8.27331108227009 Density= 233.784697936012 236.000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.62807720 0.60807720 0.189969E-01 -2.21530 1 0.62790715 0.60807720 0.291660E-02 -2.21530 2 0.62787635 0.62790715 -0.359805E-04 0.291660E-02 3 0.62787673 0.62787635 0.741804E-07 -0.359805E-04 4 0.62787673 0.62787635 0.187583E-11 -0.359805E-04 Absolute convergence of |F(X)|. Difference in EF= -0.0027276111 EF set to : 8.5426973033 new EF (no-mixing): 8.5426973033 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 Density= 3.852331 logg= -0.007172 ETOT= -5.462532 -5.471572 41) Finished k-point 42 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.858008 logg= -0.006868 ETOT= -5.458725 -5.467208 40) Finished k-point 41 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.858666 logg= -0.006886 ETOT= -5.457491 -5.465896 10) Finished k-point 11 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 1.923349 logg= -0.003654 ETOT= -2.733465 -2.738191 46) Finished k-point 47 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.854743 logg= -0.007223 ETOT= -5.458114 -5.467723 8) Finished k-point 9 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=278 Density= 3.840207 logg= -0.007491 ETOT= -5.470210 -5.480059 38) Finished k-point 39 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 3.853525 logg= -0.007122 ETOT= -5.461297 -5.469970 36) Finished k-point 37 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=300 DM_nemaxx=276 Density= 1.927180 logg= -0.003489 ETOT= -2.730803 -2.735181 45) Finished k-point 46 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.724888 logg= -0.013785 ETOT= -10.909166 -10.926848 6) Finished k-point 7 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.853561 logg= -0.007222 ETOT= -5.460818 -5.469802 15) Finished k-point 16 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=278 Density= 3.850289 logg= -0.007325 ETOT= -5.463453 -5.472806 37) Finished k-point 38 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=300 DM_nemaxx=276 Density= 1.942421 logg= -0.003238 ETOT= -2.720465 -2.724456 11) Finished k-point 12 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.855586 logg= -0.007150 ETOT= -5.458384 -5.467490 9) Finished k-point 10 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=300 DM_nemaxx=280 Density= 7.706721 logg= -0.014359 ETOT= -10.919448 -10.938303 16) Finished k-point 17 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 3.860484 logg= -0.006703 ETOT= -5.456413 -5.464627 7) Finished k-point 8 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.703831 logg= -0.014368 ETOT= -10.921918 -10.941230 13) Finished k-point 14 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=306 DM_nemaxx=280 Density= 7.706921 logg= -0.014192 ETOT= -10.921102 -10.939649 14) Finished k-point 15 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=280 Density= 1.913378 logg= -0.003797 ETOT= -2.739636 -2.744581 39) Finished k-point 40 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 0.958753 logg= -0.001857 ETOT= -1.368708 -1.371110 47) Finished k-point 48 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=272 Density= 1.939433 logg= -0.003331 ETOT= -2.722837 -2.727089 44) Finished k-point 45 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.854067 logg= -0.007157 ETOT= -5.461503 -5.470161 33) Finished k-point 34 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=302 DM_nemaxx=280 Density= 7.708308 logg= -0.014346 ETOT= -10.920022 -10.938353 17) Finished k-point 18 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=280 Density= 1.915256 logg= -0.003793 ETOT= -2.738631 -2.743519 43) Finished k-point 44 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 3.855823 logg= -0.007041 ETOT= -5.459129 -5.467812 3) Finished k-point 4 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.854419 logg= -0.007166 ETOT= -5.459434 -5.468649 20) Finished k-point 21 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.855355 logg= -0.007231 ETOT= -5.459749 -5.468624 21) Finished k-point 22 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=300 DM_nemaxx=280 Density= 7.701477 logg= -0.014427 ETOT= -10.921718 -10.941455 12) Finished k-point 13 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=306 DM_nemaxx=282 Density= 7.711422 logg= -0.014108 ETOT= -10.919173 -10.936994 18) Finished k-point 19 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 3.844781 logg= -0.007425 ETOT= -5.467759 -5.477409 42) Finished k-point 43 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 7.709183 logg= -0.014077 ETOT= -10.920648 -10.938473 28) Finished k-point 29 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.855483 logg= -0.007089 ETOT= -5.460239 -5.468833 32) Finished k-point 33 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.700724 logg= -0.014377 ETOT= -10.925884 -10.944695 25) Finished k-point 26 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 1.935485 logg= -0.003354 ETOT= -2.725066 -2.729359 23) Finished k-point 24 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.704736 logg= -0.014107 ETOT= -10.922392 -10.941089 24) Finished k-point 25 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 1.924747 logg= -0.003588 ETOT= -2.732435 -2.737089 35) Finished k-point 36 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.856471 logg= -0.007003 ETOT= -5.459487 -5.467958 22) Finished k-point 23 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.856219 logg= -0.006945 ETOT= -5.459389 -5.467997 19) Finished k-point 20 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=278 Density= 7.699950 logg= -0.014589 ETOT= -10.928198 -10.946848 30) Finished k-point 31 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.709056 logg= -0.014339 ETOT= -10.917362 -10.936185 5) Finished k-point 6 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 7.711448 logg= -0.013851 ETOT= -10.916912 -10.935262 2) Finished k-point 3 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=282 Density= 7.693319 logg= -0.014503 ETOT= -10.925200 -10.945015 0) Finished k-point 1 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=306 DM_nemaxx=280 Density= 3.848321 logg= -0.007359 ETOT= -5.465194 -5.474780 31) Finished k-point 32 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=278 Density= 3.851682 logg= -0.007216 ETOT= -5.463406 -5.472487 34) Finished k-point 35 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.705330 logg= -0.014362 ETOT= -10.918726 -10.938455 1) Finished k-point 2 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 7.705796 logg= -0.014289 ETOT= -10.923619 -10.941578 29) Finished k-point 30 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=280 Density= 7.692420 logg= -0.014750 ETOT= -10.932064 -10.951266 26) Finished k-point 27 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.707378 logg= -0.014444 ETOT= -10.916965 -10.936306 4) Finished k-point 5 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=282 Density= 3.847069 logg= -0.007481 ETOT= -5.465578 -5.475468 27) Finished k-point 28 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Sum of eigenvalues= -4550.84361697251 eV TrLogG= -4558.53141125829 eV Ratio to renormalize= 1.000000002946 rho-rho_expected=-0.000000695194 nargs= 1 argi=dmft2.def WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. lel! Non-tested. You are on your own. 22) Finished k-point number 23 1 with #bands= 160 23) Finished k-point number 24 1 with #bands= 160 40) Finished k-point number 41 1 with #bands= 160 36) Finished k-point number 37 1 with #bands= 156 47) Finished k-point number 48 1 with #bands= 160 17) Finished k-point number 18 1 with #bands= 158 21) Finished k-point number 22 1 with #bands= 156 45) Finished k-point number 46 1 with #bands= 160 9) Finished k-point number 10 1 with #bands= 156 3) Finished k-point number 4 1 with #bands= 160 6) Finished k-point number 7 1 with #bands= 160 46) Finished k-point number 47 1 with #bands= 160 26) Finished k-point number 27 1 with #bands= 160 24) Finished k-point number 25 1 with #bands= 160 12) Finished k-point number 13 1 with #bands= 162 14) Finished k-point number 15 1 with #bands= 158 15) Finished k-point number 16 1 with #bands= 160 2) Finished k-point number 3 1 with #bands= 158 42) Finished k-point number 43 1 with #bands= 160 13) Finished k-point number 14 1 with #bands= 162 19) Finished k-point number 20 1 with #bands= 160 30) Finished k-point number 31 1 with #bands= 160 0) Finished k-point number 1 1 with #bands= 162 43) Finished k-point number 44 1 with #bands= 160 4) Finished k-point number 5 1 with #bands= 158 18) Finished k-point number 19 1 with #bands= 160 25) Finished k-point number 26 1 with #bands= 160 20) Finished k-point number 21 1 with #bands= 160 34) Finished k-point number 35 1 with #bands= 160 39) Finished k-point number 40 1 with #bands= 160 7) Finished k-point number 8 1 with #bands= 160 29) Finished k-point number 30 1 with #bands= 158 11) Finished k-point number 12 1 with #bands= 160 44) Finished k-point number 45 1 with #bands= 160 28) Finished k-point number 29 1 with #bands= 160 27) Finished k-point number 28 1 with #bands= 160 41) Finished k-point number 42 1 with #bands= 160 10) Finished k-point number 11 1 with #bands= 160 16) Finished k-point number 17 1 with #bands= 160 8) Finished k-point number 9 1 with #bands= 160 33) Finished k-point number 34 1 with #bands= 158 31) Finished k-point number 32 1 with #bands= 160 35) Finished k-point number 36 1 with #bands= 160 38) Finished k-point number 39 1 with #bands= 160 37) Finished k-point number 38 1 with #bands= 156 5) Finished k-point number 6 1 with #bands= 160 32) Finished k-point number 33 1 with #bands= 160 1) Finished k-point number 2 1 with #bands= 160 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.751760590802509 0.758642704384012 0.760739487670158 0.751888686965786 0.758093304980277 0.761203318194129 0.751577875117222 0.758263340994560 0.760876126908398 0.751917012427956 0.758229491063627 0.761456571949166 36) Finished k-point number 37 1 with #bands= 156 47) Finished k-point number 48 1 with #bands= 160 46) Finished k-point number 47 1 with #bands= 160 44) Finished k-point number 45 1 with #bands= 160 43) Finished k-point number 44 1 with #bands= 160 45) Finished k-point number 46 1 with #bands= 160 40) Finished k-point number 41 1 with #bands= 160 42) Finished k-point number 43 1 with #bands= 160 27) Finished k-point number 28 1 with #bands= 160 25) Finished k-point number 26 1 with #bands= 160 7) Finished k-point number 8 1 with #bands= 160 4) Finished k-point number 5 1 with #bands= 158 3) Finished k-point number 4 1 with #bands= 160 2) Finished k-point number 3 1 with #bands= 158 1) Finished k-point number 2 1 with #bands= 160 39) Finished k-point number 40 1 with #bands= 160 22) Finished k-point number 23 1 with #bands= 160 17) Finished k-point number 18 1 with #bands= 158 15) Finished k-point number 16 1 with #bands= 160 16) Finished k-point number 17 1 with #bands= 160 23) Finished k-point number 24 1 with #bands= 160 14) Finished k-point number 15 1 with #bands= 158 34) Finished k-point number 35 1 with #bands= 160 31) Finished k-point number 32 1 with #bands= 160 12) Finished k-point number 13 1 with #bands= 162 13) Finished k-point number 14 1 with #bands= 162 18) Finished k-point number 19 1 with #bands= 160 0) Finished k-point number 1 1 with #bands= 162 33) Finished k-point number 34 1 with #bands= 158 9) Finished k-point number 10 1 with #bands= 156 21) Finished k-point number 22 1 with #bands= 156 37) Finished k-point number 38 1 with #bands= 156 8) Finished k-point number 9 1 with #bands= 160 38) Finished k-point number 39 1 with #bands= 160 10) Finished k-point number 11 1 with #bands= 160 11) Finished k-point number 12 1 with #bands= 160 29) Finished k-point number 30 1 with #bands= 158 35) Finished k-point number 36 1 with #bands= 160 20) Finished k-point number 21 1 with #bands= 160 24) Finished k-point number 25 1 with #bands= 160 19) Finished k-point number 20 1 with #bands= 160 6) Finished k-point number 7 1 with #bands= 160 28) Finished k-point number 29 1 with #bands= 160 41) Finished k-point number 42 1 with #bands= 160 5) Finished k-point number 6 1 with #bands= 160 26) Finished k-point number 27 1 with #bands= 160 32) Finished k-point number 33 1 with #bands= 160 30) Finished k-point number 31 1 with #bands= 160 Data-size pr_processor[MBy]= 0.9887695 Total datasize is[MBy]= 47.46094 max_nbands= 162 nomega= 400 pr_proc= 1 nprocs= 48 EF 8.54269730328648 Density= 235.972556664219 236.000000000000 EF 8.81481113540006 Density= 237.799676028124 236.000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.64787673 0.62787673 1.79968 -0.274433E-01 1 0.63787673 0.62787675 0.861921 -0.274433E-01 2 0.63287674 0.62787650 0.382651 -0.274433E-01 3 0.63037662 0.62787662 0.182776 -0.274433E-01 4 0.62912662 0.62787656 0.834418E-01 -0.274433E-01 5 0.62850159 0.62787635 0.301380E-01 -0.274433E-01 6 0.62818897 0.62787646 0.193503E-02 -0.274433E-01 7 0.62816798 0.62818897 -0.115190E-05 0.193503E-02 8 0.62816799 0.62816798 0.163675E-08 -0.115190E-05 9 0.62816799 0.62816799 -0.759945E-08 0.163675E-08 10 0.62816799 0.62816799 -0.759945E-08 0.163675E-08 Absolute convergence of the X interval. Difference in EF= 0.0039628408 EF set to : 8.5466601441 new EF (no-mixing): 8.5466601441 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 Density= 3.854326 logg= -0.007140 ETOT= -5.458417 -5.467956 8) Finished k-point 9 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.855437 logg= -0.006933 ETOT= -5.459416 -5.468021 3) Finished k-point 4 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 3.851476 logg= -0.007101 ETOT= -5.463573 -5.472558 34) Finished k-point 35 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.848593 logg= -0.007242 ETOT= -5.465053 -5.474549 31) Finished k-point 32 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=278 Density= 7.693483 logg= -0.014545 ETOT= -10.931445 -10.950508 26) Finished k-point 27 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.855151 logg= -0.007066 ETOT= -5.458701 -5.467734 9) Finished k-point 10 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=300 DM_nemaxx=280 Density= 0.959178 logg= -0.001827 ETOT= -1.368441 -1.370827 47) Finished k-point 48 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=272 Density= 7.706659 logg= -0.014276 ETOT= -10.917495 -10.936715 Density= 1.924847 logg= -0.003530 ETOT= -2.732388 -2.736996 4) Finished k-point 5 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=282 35) Finished k-point 36 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 1.927238 logg= -0.003431 ETOT= -2.730782 -2.735115 45) Finished k-point 46 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.711297 logg= -0.013658 ETOT= -10.917078 -10.935272 2) Finished k-point 3 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=282 Density= 7.705978 logg= -0.014190 ETOT= -10.919997 -10.938711 16) Finished k-point 17 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 3.856177 logg= -0.006892 ETOT= -5.459713 -5.468106 22) Finished k-point 23 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.845549 logg= -0.007318 ETOT= -5.467298 -5.476879 42) Finished k-point 43 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=278 Density= 7.700820 logg= -0.014176 ETOT= -10.925891 -10.944547 25) Finished k-point 26 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.853780 logg= -0.007045 ETOT= -5.461725 -5.470286 33) Finished k-point 34 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=302 DM_nemaxx=280 Density= 7.726060 logg= -0.013595 ETOT= -10.908480 -10.926031 Density= 7.705296 logg= -0.014088 ETOT= -10.924013 -10.941803 6) Finished k-point 7 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 29) Finished k-point 30 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=280 Density= 3.841573 logg= -0.007396 ETOT= -5.469362 -5.479166 38) Finished k-point 39 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 3.847352 logg= -0.007390 ETOT= -5.465430 -5.475256 27) Finished k-point 28 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 3.858335 logg= -0.006776 ETOT= -5.457741 -5.466067 10) Finished k-point 11 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.858132 logg= -0.006755 ETOT= -5.458680 -5.467072 40) Finished k-point 41 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 1.942461 logg= -0.003188 ETOT= -2.720458 -2.724409 11) Finished k-point 12 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 1.913966 logg= -0.003747 ETOT= -2.739271 -2.744194 39) Finished k-point 40 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 7.701555 logg= -0.014255 ETOT= -10.921732 -10.941347 12) Finished k-point 13 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=306 DM_nemaxx=282 Density= 3.854954 logg= -0.007147 ETOT= -5.460045 -5.468867 21) Finished k-point 22 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=300 DM_nemaxx=280 Density= 7.707568 logg= -0.014152 ETOT= -10.920571 -10.938754 17) Finished k-point 18 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=280 Density= 7.704679 logg= -0.013907 ETOT= -10.922499 -10.941037 24) Finished k-point 25 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.854006 logg= -0.007082 ETOT= -5.459737 -5.468879 20) Finished k-point 21 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.850086 logg= -0.007223 ETOT= -5.463619 -5.472887 37) Finished k-point 38 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=300 DM_nemaxx=276 Density= 3.860510 logg= -0.006594 ETOT= -5.456432 -5.464575 7) Finished k-point 8 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.856033 logg= -0.006832 ETOT= -5.459545 -5.468056 19) Finished k-point 20 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 1.923589 logg= -0.003594 ETOT= -2.733327 -2.738010 46) Finished k-point 47 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.705082 logg= -0.014177 ETOT= -10.918950 -10.938536 1) Finished k-point 2 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 7.694686 logg= -0.014332 ETOT= -10.924367 -10.944100 0) Finished k-point 1 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=306 DM_nemaxx=280 Density= 7.706561 logg= -0.013994 ETOT= -10.921404 -10.939789 14) Finished k-point 15 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=282 Density= 7.708271 logg= -0.014170 ETOT= -10.917938 -10.936619 5) Finished k-point 6 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 1.916001 logg= -0.003737 ETOT= -2.738165 -2.743026 43) Finished k-point 44 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 3.853228 logg= -0.007010 ETOT= -5.461526 -5.470105 36) Finished k-point 37 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=300 DM_nemaxx=276 Density= 1.939704 logg= -0.003278 ETOT= -2.722681 -2.726891 44) Finished k-point 45 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.703691 logg= -0.014172 ETOT= -10.922076 -10.941235 13) Finished k-point 14 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=306 DM_nemaxx=282 Density= 3.855175 logg= -0.006978 ETOT= -5.460474 -5.468971 32) Finished k-point 33 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.852168 logg= -0.007057 ETOT= -5.462672 -5.471616 41) Finished k-point 42 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 1.936350 logg= -0.003300 ETOT= -2.724526 -2.728786 23) Finished k-point 24 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.711012 logg= -0.013911 ETOT= -10.919509 -10.937184 18) Finished k-point 19 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 7.708660 logg= -0.013879 ETOT= -10.921057 -10.938714 28) Finished k-point 29 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.700007 logg= -0.014385 ETOT= -10.928231 -10.946721 30) Finished k-point 31 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 3.853257 logg= -0.007111 ETOT= -5.461050 -5.469937 15) Finished k-point 16 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Sum of eigenvalues= -4550.87238084794 eV TrLogG= -4558.49754005958 eV Ratio to renormalize= 1.000000002699 rho-rho_expected=-0.000000637043 nargs= 1 argi=dmft2.def WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. WARNING: quantization axis from case.inso and local rotation axis are not paral lel! Non-tested. You are on your own. 20) Finished k-point number 21 1 with #bands= 160 3) Finished k-point number 4 1 with #bands= 160 9) Finished k-point number 10 1 with #bands= 156 2) Finished k-point number 3 1 with #bands= 158 10) Finished k-point number 11 1 with #bands= 160 18) Finished k-point number 19 1 with #bands= 160 26) Finished k-point number 27 1 with #bands= 160 34) Finished k-point number 35 1 with #bands= 160 38) Finished k-point number 39 1 with #bands= 160 13) Finished k-point number 14 1 with #bands= 162 46) Finished k-point number 47 1 with #bands= 160 32) Finished k-point number 33 1 with #bands= 160 5) Finished k-point number 6 1 with #bands= 160 16) Finished k-point number 17 1 with #bands= 160 27) Finished k-point number 28 1 with #bands= 160 11) Finished k-point number 12 1 with #bands= 160 12) Finished k-point number 13 1 with #bands= 162 24) Finished k-point number 25 1 with #bands= 160 31) Finished k-point number 32 1 with #bands= 160 33) Finished k-point number 34 1 with #bands= 158 42) Finished k-point number 43 1 with #bands= 160 1) Finished k-point number 2 1 with #bands= 160 21) Finished k-point number 22 1 with #bands= 156 14) Finished k-point number 15 1 with #bands= 158 39) Finished k-point number 40 1 with #bands= 160 8) Finished k-point number 9 1 with #bands= 160 41) Finished k-point number 42 1 with #bands= 160 4) Finished k-point number 5 1 with #bands= 158 25) Finished k-point number 26 1 with #bands= 160 35) Finished k-point number 36 1 with #bands= 160 17) Finished k-point number 18 1 with #bands= 158 19) Finished k-point number 20 1 with #bands= 160 30) Finished k-point number 31 1 with #bands= 160 0) Finished k-point number 1 1 with #bands= 162 40) Finished k-point number 41 1 with #bands= 160 23) Finished k-point number 24 1 with #bands= 160 7) Finished k-point number 8 1 with #bands= 160 29) Finished k-point number 30 1 with #bands= 158 6) Finished k-point number 7 1 with #bands= 160 37) Finished k-point number 38 1 with #bands= 156 45) Finished k-point number 46 1 with #bands= 160 15) Finished k-point number 16 1 with #bands= 160 22) Finished k-point number 23 1 with #bands= 160 28) Finished k-point number 29 1 with #bands= 160 47) Finished k-point number 48 1 with #bands= 160 36) Finished k-point number 37 1 with #bands= 156 43) Finished k-point number 44 1 with #bands= 160 44) Finished k-point number 45 1 with #bands= 160 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.751736639478077 0.758631172255160 0.760732751185999 0.751876430739070 0.758080199757730 0.761187858606157 0.751562913262338 0.758263288081763 0.760855442509055 0.751895964534310 0.758215026915659 0.761449127802613 29) Finished k-point number 30 1 with #bands= 158 8) Finished k-point number 9 1 with #bands= 160 17) Finished k-point number 18 1 with #bands= 158 23) Finished k-point number 24 1 with #bands= 160 10) Finished k-point number 11 1 with #bands= 160 9) Finished k-point number 10 1 with #bands= 156 18) Finished k-point number 19 1 with #bands= 160 11) Finished k-point number 12 1 with #bands= 160 7) Finished k-point number 8 1 with #bands= 160 37) Finished k-point number 38 1 with #bands= 156 33) Finished k-point number 34 1 with #bands= 158 32) Finished k-point number 33 1 with #bands= 160 34) Finished k-point number 35 1 with #bands= 160 21) Finished k-point number 22 1 with #bands= 156 24) Finished k-point number 25 1 with #bands= 160 3) Finished k-point number 4 1 with #bands= 160 47) Finished k-point number 48 1 with #bands= 160 20) Finished k-point number 21 1 with #bands= 160 44) Finished k-point number 45 1 with #bands= 160 4) Finished k-point number 5 1 with #bands= 158 16) Finished k-point number 17 1 with #bands= 160 2) Finished k-point number 3 1 with #bands= 158 25) Finished k-point number 26 1 with #bands= 160 39) Finished k-point number 40 1 with #bands= 160 38) Finished k-point number 39 1 with #bands= 160 26) Finished k-point number 27 1 with #bands= 160 40) Finished k-point number 41 1 with #bands= 160 36) Finished k-point number 37 1 with #bands= 156 35) Finished k-point number 36 1 with #bands= 160 14) Finished k-point number 15 1 with #bands= 158 22) Finished k-point number 23 1 with #bands= 160 12) Finished k-point number 13 1 with #bands= 162 6) Finished k-point number 7 1 with #bands= 160 28) Finished k-point number 29 1 with #bands= 160 27) Finished k-point number 28 1 with #bands= 160 15) Finished k-point number 16 1 with #bands= 160 46) Finished k-point number 47 1 with #bands= 160 31) Finished k-point number 32 1 with #bands= 160 41) Finished k-point number 42 1 with #bands= 160 19) Finished k-point number 20 1 with #bands= 160 1) Finished k-point number 2 1 with #bands= 160 13) Finished k-point number 14 1 with #bands= 162 45) Finished k-point number 46 1 with #bands= 160 42) Finished k-point number 43 1 with #bands= 160 43) Finished k-point number 44 1 with #bands= 160 30) Finished k-point number 31 1 with #bands= 160 0) Finished k-point number 1 1 with #bands= 162 5) Finished k-point number 6 1 with #bands= 160 Data-size pr_processor[MBy]= 0.9887695 Total datasize is[MBy]= 47.46094 max_nbands= 162 nomega= 400 pr_proc= 1 nprocs= 48 EF 8.54666014410323 Density= 235.975000352100 236.000000000000 EF 8.81877397621681 Density= 237.791237756074 236.000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.64816799 0.62816799 1.79124 -0.249996E-01 1 0.63816799 0.62816801 0.868409 -0.249996E-01 2 0.63316800 0.62816776 0.390468 -0.249996E-01 3 0.63066788 0.62816789 0.186896 -0.249996E-01 4 0.62941788 0.62816782 0.859203E-01 -0.249996E-01 5 0.62879285 0.62816809 0.323228E-01 -0.249996E-01 6 0.62848047 0.62816772 0.419808E-02 -0.249996E-01 7 0.62843476 0.62848047 -0.478742E-05 0.419808E-02 8 0.62843481 0.62843476 0.131208E-07 -0.478742E-05 9 0.62843481 0.62843476 0.113687E-12 -0.478742E-05 Absolute convergence of |F(X)|. Difference in EF= 0.0036302446 EF set to : 8.5502903887 new EF (no-mixing): 8.5502903887 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 Density= 1.923472 logg= -0.003566 ETOT= -2.733325 -2.737972 46) Finished k-point 47 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.711843 logg= -0.013540 ETOT= -10.916410 -10.934478 2) Finished k-point 3 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=282 Density= 1.942162 logg= -0.003159 ETOT= -2.720571 -2.724485 11) Finished k-point 12 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 1.936250 logg= -0.003273 ETOT= -2.724512 -2.728737 23) Finished k-point 24 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.848324 logg= -0.007184 ETOT= -5.465070 -5.474495 31) Finished k-point 32 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=278 Density= 3.855124 logg= -0.007006 ETOT= -5.458561 -5.467524 9) Finished k-point 10 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=300 DM_nemaxx=280 Density= 1.914618 logg= -0.003720 ETOT= -2.738772 -2.743677 39) Finished k-point 40 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 3.855260 logg= -0.006916 ETOT= -5.460260 -5.468690 32) Finished k-point 33 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.855510 logg= -0.006869 ETOT= -5.459209 -5.467759 3) Finished k-point 4 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 7.706493 logg= -0.013876 ETOT= -10.921134 -10.939381 14) Finished k-point 15 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=282 Density= 3.853834 logg= -0.006984 ETOT= -5.461531 -5.470026 33) Finished k-point 34 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=302 DM_nemaxx=280 Density= 7.693321 logg= -0.014429 ETOT= -10.931238 -10.950165 26) Finished k-point 27 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.701142 logg= -0.014139 ETOT= -10.921689 -10.941159 12) Finished k-point 13 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=306 DM_nemaxx=282 Density= 7.711426 logg= -0.013795 ETOT= -10.918925 -10.936489 18) Finished k-point 19 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 3.854957 logg= -0.007087 ETOT= -5.459884 -5.468653 21) Finished k-point 22 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=300 DM_nemaxx=280 Density= 7.700537 logg= -0.014058 ETOT= -10.925761 -10.944275 25) Finished k-point 26 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.845278 logg= -0.007263 ETOT= -5.467316 -5.476829 42) Finished k-point 43 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.705283 logg= -0.013971 ETOT= -10.923704 -10.941361 29) Finished k-point 30 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=280 Density= 0.959357 logg= -0.001812 ETOT= -1.368287 -1.370660 47) Finished k-point 48 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 1.927424 logg= -0.003402 ETOT= -2.730582 -2.734886 45) Finished k-point 46 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.707467 logg= -0.014030 ETOT= -10.920322 -10.938377 17) Finished k-point 18 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=280 Density= 7.705771 logg= -0.014072 ETOT= -10.919817 -10.938391 16) Finished k-point 17 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 3.858551 logg= -0.006715 ETOT= -5.457442 -5.465718 10) Finished k-point 11 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.853276 logg= -0.006948 ETOT= -5.461335 -5.469851 36) Finished k-point 37 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=300 DM_nemaxx=276 Density= 3.847004 logg= -0.007335 ETOT= -5.465499 -5.475256 27) Finished k-point 28 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 7.708125 logg= -0.014050 ETOT= -10.917718 -10.936258 5) Finished k-point 6 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 1.939292 logg= -0.003251 ETOT= -2.722867 -2.727036 44) Finished k-point 45 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.704728 logg= -0.014056 ETOT= -10.918869 -10.938306 1) Finished k-point 2 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 3.841546 logg= -0.007343 ETOT= -5.469225 -5.478965 Density= 3.849940 logg= -0.007165 ETOT= -5.463555 -5.472755 38) Finished k-point 39 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 37) Finished k-point 38 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=300 DM_nemaxx=276 Density= 7.726188 logg= -0.013481 ETOT= -10.908081 -10.925503 6) Finished k-point 7 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Density= 7.704699 logg= -0.013791 ETOT= -10.922171 -10.940576 24) Finished k-point 25 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.854249 logg= -0.007079 ETOT= -5.458310 -5.467778 8) Finished k-point 9 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 1.924779 logg= -0.003501 ETOT= -2.732353 -2.736927 35) Finished k-point 36 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.706372 logg= -0.014157 ETOT= -10.917370 -10.936456 Density= 7.708904 logg= -0.013761 ETOT= -10.920581 -10.938109 4) Finished k-point 5 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=302 DM_nemaxx=282 28) Finished k-point 29 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.856335 logg= -0.006831 ETOT= -5.459452 -5.467793 22) Finished k-point 23 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.852177 logg= -0.006998 ETOT= -5.462507 -5.471384 41) Finished k-point 42 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.861088 logg= -0.006534 ETOT= -5.455897 -5.463998 7) Finished k-point 8 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.851452 logg= -0.007041 ETOT= -5.463430 -5.472347 34) Finished k-point 35 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.853953 logg= -0.007022 ETOT= -5.459613 -5.468687 20) Finished k-point 21 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.858638 logg= -0.006697 ETOT= -5.458193 -5.466528 40) Finished k-point 41 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 3.853258 logg= -0.007049 ETOT= -5.460891 -5.469708 15) Finished k-point 16 1 with nemin= 1 nemax=316 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.703329 logg= -0.014053 ETOT= -10.921998 -10.941011 13) Finished k-point 14 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=306 DM_nemaxx=282 Density= 1.916559 logg= -0.003708 ETOT= -2.737727 -2.742566 43) Finished k-point 44 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=276 Density= 7.694700 logg= -0.014214 ETOT= -10.924049 -10.943644 0) Finished k-point 1 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=306 DM_nemaxx=280 Density= 3.856305 logg= -0.006773 ETOT= -5.459209 -5.467658 19) Finished k-point 20 1 with nemin= 1 nemax=312 DM_nemin=145 DM_nemax=304 DM_nemaxx=280 Density= 7.699702 logg= -0.014271 ETOT= -10.928113 -10.946467 30) Finished k-point 31 1 with nemin= 1 nemax=314 DM_nemin=145 DM_nemax=304 DM_nemaxx=282 Sum of eigenvalues= -4550.74113762360 eV TrLogG= -4558.31158617459 eV Ratio to renormalize= 1.000000002407 rho-rho_expected=-0.000000568108