Sig = Sigma.000 Ac = Ac.inp Delta = None cix = out.cix out = . gloc = gloc.out sig = sig.inp susc = Susc.out Ed = [-60.3238,-60.6235,0,0] U = 8 T = 0.03 Q = 8 alpha = 0.4 max_diff = 0.001 max_steps = 40 StartLambda = -20 EndLambda = 1 dLambda = 0.1 followPeak = -1 prt = 1 MissDopSt = -100 N_ac = 50 dom_ac = 0.5 acore = 0 pcore = 0 lorentz = 1 SearchLorentz = 4 LorentzMaxRatio = 1 FirstLorentz = 0 LastLorentz = 10000 CmpDiff = -1 renorm_core = 0 renorm = 1 2 4 6 16 0 0 v 2 5 7 12 -6.3 1 1 0 0 24 x 8 12 x 7 1 v 3 4 7 24 -6.3 1 1 0 0 24 x 9 48 x 8 2 v 4 3 7 4 -6.3 0 1 0 0 12 x 9 3 v 1 6 7 4 -4.2 2 0 0 0 6 x 7 6 x 10 4 v 2 5 7 24 -4.2 2 2 0 0 30 x 8 18 x 11 6 x 7 18 x 10 5 v 3 4 7 36 -4.2 2 2 0 0 12 x 9 24 x 12 42 x 8 30 x 11 6 v 4 3 7 16 -4.2 0 2 0 0 24 x 9 24 x 12 7 v 2 6 8 3 -7 1 0 1 2 6 x 13 6 x 3 12 x 0 6 x 4 8 v 3 5 8 18 -7 1 1 2 2 18 x 14 18 x 13 24 x 0 30 x 4 48 x 1 42 x 5 9 v 4 4 8 9 -7 0 1 2 2 18 x 14 24 x 1 12 x 5 12 x 2 24 x 6 10 v 2 6 8 3 -5.6 1 0 1 1 6 x 13 6 x 3 18 x 4 11 v 3 5 8 6 -5.6 1 1 1 1 6 x 14 6 x 13 18 x 4 30 x 5 12 v 4 4 8 6 -5.6 0 1 1 1 12 x 14 24 x 5 24 x 6 13 v 3 6 9 4 -8.4 1 0 2 2 4 x 15 6 x 7 6 x 10 18 x 8 6 x 11 14 v 4 5 9 6 -8.4 0 1 2 2 6 x 15 18 x 8 6 x 11 18 x 9 12 x 12 15 v 4 6 10 1 -10.5 0 0 1 1 4 x 13 6 x 14 Ac.inp: Number of entries: 500 Ac.inp: Number of columns: 3 Ac.inp: Peak-position 0 Premaknil na 0 ************* Parameters **************** U = 8 Ed0 = -60.3238 Ed1 = -60.6235 T = 0.03 N0 = 4 N1 = 6 valence state0 = 2 5 with Energy0 = -262.065 valence state1 = 3 4 with Energy1 = -261.765 valence state2 = 4 3 with Energy2 = -261.466 valence state3 = 1 6 with Energy3 = -260.265 valence state4 = 2 5 with Energy4 = -259.965 valence state5 = 3 4 with Energy5 = -259.665 valence state6 = 4 3 with Energy6 = -259.366 valence state7 = 2 6 with Energy7 = -267.389 valence state8 = 3 5 with Energy8 = -267.089 valence state9 = 4 4 with Energy9 = -266.789 valence state10 = 2 6 with Energy10 = -265.989 valence state11 = 3 5 with Energy11 = -265.689 valence state12 = 4 4 with Energy12 = -265.389 valence state13 = 3 6 with Energy13 = -265.112 valence state14 = 4 5 with Energy14 = -264.813 valence state15 = 4 6 with Energy15 = -255.536 ***************************************** Sigma.000: Number of entries: 447 Sigma.000: Number of columns: 33 Sigma.000: Peak-position 0 1.) DeterminSpectralFunctions ; lambda = -268.4879353585034 -1.099416167703339 Found lorentz at 7 -0.0294048 lm= -0.0294048 2.68328e-07 -2.25515 lp= -0.0294048 2.68328e-07 -0.846385 r- 0.000100887 Found lorentz at 8 0.62577 lm= 0.62577 1.24174e-06 -8.87164e-10 lp= 0.62577 1.24174e-06 -0.885988 r- 1.16343e-05 Found lorentz at 9 1.31444 lm= 1.31444 3.68921e-06 -2.41945e-15 lp= 1.31444 3.68921e-06 -0.944767 r- 0.000130163 Found lorentz at 10 1.11426 lm= 1.11426 3.37123e-05 -1.79981e-16 lp= 1.11426 3.37123e-05 -0.778947 r- 0.00144265 Found lorentz at 11 1.84304 lm= 1.84304 0.000104641 -6.5527e-17 lp= 1.84304 0.000104641 -0.828059 r- 0.00421231 Found lorentz at 12 2.63967 lm= 2.63966 0.000616903 -1.35563e-17 lp= 2.63967 0.000616911 -0.914499 r- 0.0224864 Q = 8.000000000001094 n0=0.001315164627518605 n1=1.77497029238031e-07 n2=9.085777909389755e-13 n3=0.003831653735141988 n4=0.0004260868565925921 n5=1.647803748462764e-07 n6=2.607873148292048e-12 n7=0.8472951456745879 n8=0.0005496111862651183 n9=1.09966529694039e-08 n10=0.001057775755558089 n11=9.587318399214768e-05 n12=5.349073131250057e-09 n13=0.1440986733621768 n14=1.463577055360986e-05 n15=0.001315021220966605 Q is here equal to 8.000000000001094 1.) nd: 8.14117010407449 Norm of Spectral functions:  0: 1.0011  1: 1.0115  2: 1.0313  3: 0.9999  4: 0.9998  5: 1.0000  6: 1.0002  7: 1.0000  8: 0.9979  9: 1.0000 10: 1.0009 11: 0.9973 12: 1.0019 13: 1.0000 14: 1.0013 15: 1.0234  0: 2.1436  1: 5.9976 1.) SelfConsistentStep 1.) Difference between steps: 0.006958 2.) DeterminSpectralFunctions ; lambda = -268.4847756744067 -1.09625648360668 Found lorentz at 7 -0.0294038 lm= -0.0294038 2.68177e-07 -2.25607 lp= -0.0294038 2.68177e-07 -0.846761 r- 0.000100785 Found lorentz at 8 0.624485 lm= 0.624485 1.22111e-06 -8.97131e-10 lp= 0.624485 1.22111e-06 -0.88623 r- 1.14379e-05 Found lorentz at 9 1.31161 lm= 1.31161 3.65069e-06 -2.44515e-15 lp= 1.31161 3.65069e-06 -0.944801 r- 0.000128799 Found lorentz at 10 1.11485 lm= 1.11485 3.37853e-05 -1.79823e-16 lp= 1.11485 3.37853e-05 -0.779446 r- 0.00144484 Found lorentz at 11 1.84223 lm= 1.84223 0.000103843 -6.60882e-17 lp= 1.84223 0.000103843 -0.82842 r- 0.00417835 Found lorentz at 12 2.637 lm= 2.637 0.000603646 -1.3856e-17 lp= 2.637 0.000603654 -0.914564 r- 0.0220016 Q = 7.999999999998236 n0=0.001313447727368593 n1=1.774705619379239e-07 n2=9.086769503004065e-13 n3=0.00382937848185826 n4=0.0004255295207446999 n5=1.647478922858088e-07 n6=2.608117859082379e-12 n7=0.8476395111225201 n8=0.0005491931483642186 n9=1.098980355490374e-08 n10=0.001057163044014817 n11=9.581087657698373e-05 n12=5.346241229694989e-09 n13=0.1437636672992396 n14=1.460901336475648e-05 n15=0.001311331207932138 Q is here equal to 7.999999999998236 2.) nd: 8.140832240776524 Norm of Spectral functions:  0: 1.0010  1: 1.0115  2: 1.0309  3: 0.9999  4: 0.9998  5: 1.0000  6: 1.0002  7: 1.0000  8: 0.9979  9: 0.9999 10: 1.0010 11: 0.9966 12: 1.0008 13: 1.0000 14: 1.0013 15: 1.0208  0: 2.1432  1: 5.9976 2.) SelfConsistentStep 2.) Difference between steps: 0.004183 3.) DeterminSpectralFunctions ; lambda = -268.483070051627 -1.094550860826928 Found lorentz at 7 -0.0294045 lm= -0.0294045 2.68145e-07 -2.2566 lp= -0.0294045 2.68145e-07 -0.846941 r- 0.000100752 Found lorentz at 8 0.623764 lm= 0.623764 1.20897e-06 -9.02702e-10 lp= 0.623764 1.20897e-06 -0.886339 r- 1.13228e-05 Found lorentz at 9 1.31004 lm= 1.31004 3.63063e-06 -2.45867e-15 lp= 1.31004 3.63063e-06 -0.944803 r- 0.000128091 Found lorentz at 10 1.11512 lm= 1.11512 3.38076e-05 -1.79807e-16 lp= 1.11512 3.38076e-05 -0.77967 r- 0.00144538 Found lorentz at 11 1.84173 lm= 1.84173 0.000103329 -6.644e-17 lp= 1.84173 0.000103329 -0.828563 r- 0.00415695 Found lorentz at 12 2.63548 lm= 2.63548 0.000597866 -1.39901e-17 lp= 2.63548 0.000597874 -0.914568 r- 0.0217908 Q = 7.999999999994912 n0=0.001312643282896861 n1=1.774050502275388e-07 n2=9.085148032154303e-13 n3=0.003828611304852514 n4=0.0004252586500124558 n5=1.646812676351885e-07 n6=2.60765934680465e-12 n7=0.8478386059908051 n8=0.0005486018930709824 n9=1.098053507977284e-08 n10=0.001056157692683682 n11=9.570534919882961e-05 n12=5.341728849549514e-09 n13=0.1435714737963336 n14=1.458777352949019e-05 n15=0.001307995854518678 Q is here equal to 7.999999999994912 3.) nd: 8.140635197951305 Norm of Spectral functions:  0: 1.0010  1: 1.0115  2: 1.0302  3: 0.9998  4: 0.9998  5: 1.0000  6: 1.0003  7: 1.0000  8: 0.9978  9: 0.9999 10: 1.0010 11: 0.9959 12: 1.0002 13: 1.0000 14: 1.0013 15: 1.0196  0: 2.1430  1: 5.9976 3.) SelfConsistentStep 3.) Difference between steps: 0.003064 4.) DeterminSpectralFunctions ; lambda = -268.4821414626884 -1.093622271888364 Found lorentz at 7 -0.0294055 lm= -0.0294055 2.68167e-07 -2.25691 lp= -0.0294055 2.68167e-07 -0.847027 r- 0.00010075 Found lorentz at 8 0.623355 lm= 0.623355 1.20351e-06 -9.05847e-10 lp= 0.623355 1.20351e-06 -0.886385 r- 1.12711e-05 Found lorentz at 9 1.30915 lm= 1.30915 3.62263e-06 -2.46406e-15 lp= 1.30915 3.62263e-06 -0.944794 r- 0.00012781 Found lorentz at 10 1.11524 lm= 1.11524 3.38112e-05 -1.79832e-16 lp= 1.11524 3.38112e-05 -0.779766 r- 0.00144536 Found lorentz at 11 1.84141 lm= 1.84141 0.000103088 -6.66028e-17 lp= 1.84141 0.000103088 -0.828611 r- 0.00414702 Found lorentz at 12 2.63461 lm= 2.63461 0.000595967 -1.40343e-17 lp= 2.63461 0.000595975 -0.914555 r- 0.0217219 Q = 8.00000000000478 n0=0.001312292834292047 n1=1.77299230904306e-07 n2=9.081276579968564e-13 n3=0.003828498716246945 n4=0.0004251301963080209 n5=1.6457672184554e-07 n6=2.606542329086757e-12 n7=0.8479521298227939 n8=0.0005480668125064788 n9=1.097073946062213e-08 n10=0.001055211083165885 n11=9.560415992127203e-05 n12=5.336744773446618e-09 n13=0.1434627840015459 n14=1.456886944569816e-05 n15=0.001305355316822115 Q is here equal to 8.00000000000478 4.) nd: 8.140521799878323 Norm of Spectral functions:  0: 1.0010  1: 1.0114  2: 1.0295  3: 0.9998  4: 0.9998  5: 1.0000  6: 1.0003  7: 1.0000  8: 0.9978  9: 0.9999 10: 1.0011 11: 0.9951 12: 0.9998 13: 1.0000 14: 1.0013 15: 1.0190  0: 2.1429  1: 5.9976 4.) SelfConsistentStep 4.) Difference between steps: 0.002198 5.) DeterminSpectralFunctions ; lambda = -268.4816319718827 -1.093112781082709 Found lorentz at 7 -0.0294064 lm= -0.0294064 2.68208e-07 -2.25708 lp= -0.0294064 2.68208e-07 -0.847068 r- 0.00010076 Found lorentz at 8 0.623121 lm= 0.623121 1.20227e-06 -9.07638e-10 lp= 0.623121 1.20227e-06 -0.886402 r- 1.12592e-05 Found lorentz at 9 1.30865 lm= 1.30865 3.62148e-06 -2.46479e-15 lp= 1.30865 3.62148e-06 -0.944784 r- 0.000127771 Found lorentz at 10 1.11529 lm= 1.11529 3.38091e-05 -1.79862e-16 lp= 1.11529 3.38091e-05 -0.779806 r- 0.00144519 Found lorentz at 11 1.84121 lm= 1.84121 0.000103032 -6.66406e-17 lp= 1.84121 0.000103032 -0.828619 r- 0.00414471 Found lorentz at 12 2.6341 lm= 2.6341 0.00059593 -1.40347e-17 lp= 2.6341 0.000595938 -0.914542 r- 0.0217209 Q = 8.000000000004468 n0=0.001312158912844451 n1=1.771767804207148e-07 n2=9.075954735189974e-13 n3=0.003828630460448881 n4=0.0004250699658874888 n5=1.644559899489034e-07 n6=2.604983032977942e-12 n7=0.8480164448238653 n8=0.0005476527683084107 n9=1.096089634857824e-08 n10=0.001054462881144238 n11=9.552276890390735e-05 n12=5.331662203984696e-09 n13=0.1434017350597797 n14=1.45522252422311e-05 n15=0.001303412204733697 Q is here equal to 8.000000000004468 5.) nd: 8.140456910719024 Norm of Spectral functions:  0: 1.0010  1: 1.0114  2: 1.0290  3: 0.9998  4: 0.9998  5: 1.0000  6: 1.0003  7: 1.0000  8: 0.9978  9: 0.9999 10: 1.0011 11: 0.9945 12: 0.9996 13: 1.0000 14: 1.0013 15: 1.0186  0: 2.1429  1: 5.9976 5.) SelfConsistentStep 5.) Difference between steps: 0.001533 6.) DeterminSpectralFunctions ; lambda = -268.4813501372373 -1.092830946437289 Found lorentz at 7 -0.029407 lm= -0.029407 2.68251e-07 -2.25718 lp= -0.029407 2.68251e-07 -0.847087 r- 0.000100774 Found lorentz at 8 0.622986 lm= 0.622986 1.20327e-06 -9.08668e-10 lp= 0.622986 1.20327e-06 -0.886408 r- 1.12685e-05 Found lorentz at 9 1.30836 lm= 1.30836 3.62366e-06 -2.46325e-15 lp= 1.30836 3.62366e-06 -0.944775 r- 0.000127849 Found lorentz at 10 1.11532 lm= 1.11532 3.38061e-05 -1.79885e-16 lp= 1.11532 3.38061e-05 -0.779821 r- 0.00144504 Found lorentz at 11 1.84108 lm= 1.84108 0.000103077 -6.66105e-17 lp= 1.84108 0.000103077 -0.828613 r- 0.00414656 Found lorentz at 12 2.63381 lm= 2.63381 0.000596656 -1.40174e-17 lp= 2.63381 0.000596663 -0.914532 r- 0.0217476 Q = 8.000000000002895 n0=0.00131212227763568 n1=1.770584666740283e-07 n2=9.069804654863868e-13 n3=0.003828823032193774 n4=0.0004250413007297947 n5=1.643388704132463e-07 n6=2.603163742568924e-12 n7=0.8480526998748441 n8=0.0005473575048194132 n9=1.095138224107103e-08 n10=0.001053921312969604 n11=9.546274428457345e-05 n12=5.326731375227496e-09 n13=0.1433676294608252 n14=1.453824273539766e-05 n15=0.001302046570001408 Q is here equal to 8.000000000002895 6.) nd: 8.140419932832156 Norm of Spectral functions:  0: 1.0010  1: 1.0114  2: 1.0285  3: 0.9998  4: 0.9998  5: 1.0000  6: 1.0004  7: 1.0000  8: 0.9977  9: 0.9999 10: 1.0011 11: 0.9939 12: 0.9995 13: 1.0000 14: 1.0013 15: 1.0184  0: 2.1428  1: 5.9976 6.) SelfConsistentStep 6.) Difference between steps: 0.001046 7.) DeterminSpectralFunctions ; lambda = -268.4811928761079 -1.092673685307886 Found lorentz at 7 -0.0294075 lm= -0.0294075 2.68289e-07 -2.25724 lp= -0.0294075 2.68289e-07 -0.847096 r- 0.000100787 Found lorentz at 8 0.622907 lm= 0.622907 1.20523e-06 -9.09264e-10 lp= 0.622907 1.20523e-06 -0.886408 r- 1.12869e-05 Found lorentz at 9 1.3082 lm= 1.3082 3.62709e-06 -2.46089e-15 lp= 1.3082 3.62709e-06 -0.944768 r- 0.000127971 Found lorentz at 10 1.11533 lm= 1.11533 3.38037e-05 -1.799e-16 lp= 1.11533 3.38037e-05 -0.779826 r- 0.00144493 Found lorentz at 11 1.841 lm= 1.841 0.000103166 -6.65517e-17 lp= 1.841 0.000103166 -0.828604 r- 0.00415018 Found lorentz at 12 2.63364 lm= 2.63363 0.000597584 -1.39954e-17 lp= 2.63364 0.000597591 -0.914526 r- 0.0217815 Q = 7.999999999999424 n0=0.001312125264443708 n1=1.769560501578745e-07 n2=9.063302130201513e-13 n3=0.003829002990843211 n4=0.0004250269025567314 n5=1.642368681062111e-07 n6=2.601229450476902e-12 n7=0.8480730686971382 n8=0.0005471574158935054 n9=1.094259379502802e-08 n10=0.001053549898985064 n11=9.542071279839699e-05 n12=5.322176301690156e-09 n13=0.1433486469066059 n14=1.452705545725217e-05 n15=0.001301116694082071 Q is here equal to 7.999999999999424 7.) nd: 8.140398910995957 Norm of Spectral functions:  0: 1.0010  1: 1.0114  2: 1.0282  3: 0.9998  4: 0.9998  5: 1.0000  6: 1.0004  7: 1.0000  8: 0.9977  9: 0.9999 10: 1.0011 11: 0.9935 12: 0.9995 13: 1.0000 14: 1.0013 15: 1.0183  0: 2.1428  1: 5.9976 7.) SelfConsistentStep 7.) Difference between steps: 0.0007031 Missing doping : 0 : 0.00719128 1 : 0.0295761