Sig = Sigma.000 Ac = Ac.inp Delta = None cix = out.cix out = . gloc = gloc.out sig = sig.inp susc = Susc.out Ed = [-60.3229,-60.6225,0,0] 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 = -60.3229 Ed1 = -60.6225 T = 0.03 N0 = 4 N1 = 6 valence state0 = 2 5 with Energy0 = -262.058 valence state1 = 3 4 with Energy1 = -261.759 valence state2 = 4 3 with Energy2 = -261.459 valence state3 = 1 6 with Energy3 = -260.258 valence state4 = 2 5 with Energy4 = -259.958 valence state5 = 3 4 with Energy5 = -259.659 valence state6 = 4 3 with Energy6 = -259.359 valence state7 = 2 6 with Energy7 = -267.381 valence state8 = 3 5 with Energy8 = -267.081 valence state9 = 4 4 with Energy9 = -266.781 valence state10 = 2 6 with Energy10 = -265.981 valence state11 = 3 5 with Energy11 = -265.681 valence state12 = 4 4 with Energy12 = -265.381 valence state13 = 3 6 with Energy13 = -265.104 valence state14 = 4 5 with Energy14 = -264.804 valence state15 = 4 6 with Energy15 = -255.526 ***************************************** Sigma.000: Number of entries: 447 Sigma.000: Number of columns: 33 Sigma.000: Peak-position 0 1.) DeterminSpectralFunctions ; lambda = -268.4882035539357 -1.107522017735619 Found lorentz at 7 -0.0294069 lm= -0.0294069 2.66699e-07 -2.25366 lp= -0.0294069 2.66699e-07 -0.845769 r- 0.000100347 Found lorentz at 8 0.628261 lm= 0.628261 1.22974e-06 -8.67937e-10 lp= 0.628261 1.22974e-06 -0.885616 r- 1.15267e-05 Found lorentz at 9 1.31998 lm= 1.31998 3.65758e-06 -2.43913e-15 lp= 1.31998 3.65758e-06 -0.944526 r- 0.00012908 Found lorentz at 10 1.11344 lm= 1.11344 3.35285e-05 -1.80699e-16 lp= 1.11344 3.35285e-05 -0.778367 r- 0.00143585 Found lorentz at 11 1.84486 lm= 1.84486 0.00010358 -6.61667e-17 lp= 1.84486 0.00010358 -0.827863 r- 0.00417059 Found lorentz at 12 2.64396 lm= 2.64396 0.000587827 -1.42094e-17 lp= 2.64396 0.000587834 -0.913936 r- 0.0214397 Q = 7.999999999997658 n0=0.00131107131547889 n1=1.769769345192261e-07 n2=9.061813071869548e-13 n3=0.003823277510332011 n4=0.0004250670714284052 n5=1.64433508791157e-07 n6=2.603990371411355e-12 n7=0.8467352577154202 n8=0.0005489806865738048 n9=1.099561620480243e-08 n10=0.001057155894785948 n11=9.581696295061612e-05 n12=5.353878499835377e-09 n13=0.1446596464753521 n14=1.469761907131983e-05 n15=0.001328670985158483 Q is here equal to 7.999999999997658 1.) nd: 8.141771928753545 Norm of Spectral functions:  0: 1.0013  1: 1.0020  2: 1.0238  3: 0.9997  4: 0.9999  5: 0.9999  6: 0.9993  7: 1.0000  8: 0.9980  9: 1.0001 10: 1.0008 11: 0.9982 12: 1.0047 13: 1.0000 14: 1.0014 15: 1.0407  0: 2.1442  1: 5.9976 1.) SelfConsistentStep 1.) Difference between steps: 0.01156 2.) DeterminSpectralFunctions ; lambda = -268.4826576892272 -1.101976153027124 Found lorentz at 7 -0.029405 lm= -0.029405 2.67018e-07 -2.25496 lp= -0.029405 2.67018e-07 -0.846308 r- 0.000100403 Found lorentz at 8 0.626176 lm= 0.626176 1.20466e-06 -8.8407e-10 lp= 0.626176 1.20466e-06 -0.885967 r- 1.12872e-05 Found lorentz at 9 1.31527 lm= 1.31527 3.6127e-06 -2.46979e-15 lp= 1.31527 3.6127e-06 -0.944595 r- 0.000127487 Found lorentz at 10 1.11423 lm= 1.11423 3.36921e-05 -1.80114e-16 lp= 1.11423 3.36921e-05 -0.779 r- 0.00144168 Found lorentz at 11 1.84344 lm= 1.84344 0.000102801 -6.67374e-17 lp= 1.84344 0.000102801 -0.828293 r- 0.00413707 Found lorentz at 12 2.63953 lm= 2.63953 0.000573718 -1.45621e-17 lp= 2.63953 0.000573725 -0.91404 r- 0.0209227 Q = 8.000000000000757 n0=0.00131177447631719 n1=1.770335406338828e-07 n2=9.065908717395559e-13 n3=0.003822407075874232 n4=0.000425221988144256 n5=1.644686082565196e-07 n6=2.604872249632941e-12 n7=0.8472197859443924 n8=0.000548830529889513 n9=1.098453909481108e-08 n10=0.001056697111551833 n11=9.58625533549264e-05 n12=5.349843512603375e-09 n13=0.1441820934889702 n14=1.463975322359699e-05 n15=0.001322329238239 Q is here equal to 8.000000000000757 2.) nd: 8.141281646672677 Norm of Spectral functions:  0: 1.0013  1: 1.0049  2: 1.0280  3: 0.9997  4: 0.9999  5: 0.9999  6: 0.9993  7: 1.0000  8: 0.9980  9: 1.0000 10: 1.0009 11: 0.9976 12: 1.0018 13: 1.0000 14: 1.0013 15: 1.0309  0: 2.1437  1: 5.9976 2.) SelfConsistentStep 2.) Difference between steps: 0.008712 3.) DeterminSpectralFunctions ; lambda = -268.4795886548436 -1.098907118643524 Found lorentz at 7 -0.0294062 lm= -0.0294062 2.67348e-07 -2.25575 lp= -0.0294062 2.67348e-07 -0.846572 r- 0.000100496 Found lorentz at 8 0.624956 lm= 0.624956 1.19121e-06 -8.93453e-10 lp= 0.624956 1.19121e-06 -0.886117 r- 1.11593e-05 Found lorentz at 9 1.31252 lm= 1.31252 3.59165e-06 -2.4843e-15 lp= 1.31252 3.59165e-06 -0.944602 r- 0.000126743 Found lorentz at 10 1.11461 lm= 1.11461 3.37753e-05 -1.798e-16 lp= 1.11461 3.37753e-05 -0.779282 r- 0.00144472 Found lorentz at 11 1.84251 lm= 1.84251 0.00010239 -6.70277e-17 lp= 1.84251 0.00010239 -0.828431 r- 0.00411985 Found lorentz at 12 2.63696 lm= 2.63696 0.000569536 -1.46695e-17 lp= 2.63696 0.000569543 -0.914054 r- 0.0207699 Q = 8.000000000000837 n0=0.00131249608319926 n1=1.770755147999914e-07 n2=9.066256351243128e-13 n3=0.003822705239238921 n4=0.0004254052725111958 n5=1.645022397694513e-07 n6=2.604845889376194e-12 n7=0.8475173924236068 n8=0.000548497695047979 n9=1.096983527606511e-08 n10=0.001055742062708331 n11=9.581575819309684e-05 n12=5.342621693313997e-09 n13=0.1438899783505388 n14=1.460407323854443e-05 n15=0.001317005147994271 Q is here equal to 8.000000000000837 3.) nd: 8.140977644543552 Norm of Spectral functions:  0: 1.0012  1: 1.0069  2: 1.0304  3: 0.9997  4: 0.9999  5: 0.9999  6: 0.9994  7: 1.0000  8: 0.9979  9: 1.0000 10: 1.0010 11: 0.9970 12: 1.0007 13: 1.0000 14: 1.0013 15: 1.0263  0: 2.1434  1: 5.9976 3.) SelfConsistentStep 3.) Difference between steps: 0.006287 4.) DeterminSpectralFunctions ; lambda = -268.4778507079766 -1.097169171776557 Found lorentz at 7 -0.0294076 lm= -0.0294076 2.67616e-07 -2.25622 lp= -0.0294076 2.67616e-07 -0.84671 r- 0.00010058 Found lorentz at 8 0.624221 lm= 0.624221 1.18661e-06 -8.99076e-10 lp= 0.624221 1.18661e-06 -0.886178 r- 1.11154e-05 Found lorentz at 9 1.31087 lm= 1.31087 3.58574e-06 -2.48832e-15 lp= 1.31087 3.58574e-06 -0.944588 r- 0.000126536 Found lorentz at 10 1.11479 lm= 1.11479 3.38199e-05 -1.79626e-16 lp= 1.11479 3.38199e-05 -0.779418 r- 0.00144638 Found lorentz at 11 1.8419 lm= 1.8419 0.000102314 -6.70817e-17 lp= 1.8419 0.000102314 -0.828456 r- 0.00411665 Found lorentz at 12 2.63544 lm= 2.63544 0.000569945 -1.46587e-17 lp= 2.63544 0.000569952 -0.914045 r- 0.020785 Q = 8.000000000005423 n0=0.001313124482325128 n1=1.770880481228182e-07 n2=9.063198033856766e-13 n3=0.003823418401801898 n4=0.0004255709505289956 n5=1.645076037036546e-07 n6=2.603836641536611e-12 n7=0.8476929564729027 n8=0.0005481693629867165 n9=1.095712170381119e-08 n10=0.001054779704684948 n11=9.574351212289316e-05 n12=5.335805924056943e-09 n13=0.143718416005371 n14=1.458039584422177e-05 n15=0.001312882819342021 Q is here equal to 8.000000000005423 4.) nd: 8.140796306606079 Norm of Spectral functions:  0: 1.0012  1: 1.0083  2: 1.0316  3: 0.9997  4: 0.9999  5: 0.9999  6: 0.9994  7: 1.0000  8: 0.9978  9: 0.9999 10: 1.0010 11: 0.9962 12: 1.0001 13: 1.0000 14: 1.0013 15: 1.0240  0: 2.1432  1: 5.9976 4.) SelfConsistentStep 4.) Difference between steps: 0.004395 5.) DeterminSpectralFunctions ; lambda = -268.4768478638499 -1.096166327649826 Found lorentz at 7 -0.0294085 lm= -0.0294085 2.67816e-07 -2.2565 lp= -0.0294085 2.67816e-07 -0.846787 r- 0.000100647 Found lorentz at 8 0.62377 lm= 0.62377 1.18744e-06 -9.0252e-10 lp= 0.62377 1.18744e-06 -0.886199 r- 1.11229e-05 Found lorentz at 9 1.30986 lm= 1.30986 3.58819e-06 -2.48653e-15 lp= 1.30986 3.58819e-06 -0.944569 r- 0.000126625 Found lorentz at 10 1.11489 lm= 1.11489 3.38459e-05 -1.79521e-16 lp= 1.11489 3.38459e-05 -0.77949 r- 0.00144735 Found lorentz at 11 1.8415 lm= 1.8415 0.00010245 -6.69903e-17 lp= 1.8415 0.00010245 -0.82844 r- 0.00412219 Found lorentz at 12 2.63453 lm= 2.63453 0.000572215 -1.46002e-17 lp= 2.63453 0.000572222 -0.914036 r- 0.020868 Q = 7.999999999990481 n0=0.001313621690912412 n1=1.770796100279109e-07 n2=9.058696019543806e-13 n3=0.00382417412668831 n4=0.0004257012290455834 n5=1.644894778942443e-07 n6=2.602368850246787e-12 n7=0.8477941217204086 n8=0.0005479123529714529 n9=1.094755538767018e-08 n10=0.001053995132335912 n11=9.567540936460909e-05 n12=5.330354455310097e-09 n13=0.1436200087908819 n14=1.456390281081177e-05 n15=0.001309867794074407 Q is here equal to 7.999999999990481 5.) nd: 8.140690469662598 Norm of Spectral functions:  0: 1.0012  1: 1.0092  2: 1.0323  3: 0.9997  4: 0.9999  5: 1.0000  6: 0.9994  7: 1.0000  8: 0.9978  9: 0.9999 10: 1.0010 11: 0.9954 12: 0.9998 13: 1.0000 14: 1.0013 15: 1.0228  0: 2.1431  1: 5.9976 5.) SelfConsistentStep 5.) Difference between steps: 0.003021 6.) DeterminSpectralFunctions ; lambda = -268.4762602040404 -1.0955786678403 Found lorentz at 7 -0.029409 lm= -0.029409 2.67961e-07 -2.25665 lp= -0.029409 2.67961e-07 -0.846831 r- 0.000100696 Found lorentz at 8 0.623488 lm= 0.623488 1.19102e-06 -9.04659e-10 lp= 0.623488 1.19102e-06 -0.886205 r- 1.11564e-05 Found lorentz at 9 1.30924 lm= 1.30924 3.59446e-06 -2.4821e-15 lp= 1.30924 3.59446e-06 -0.944553 r- 0.000126849 Found lorentz at 10 1.11495 lm= 1.11495 3.38624e-05 -1.79452e-16 lp= 1.11495 3.38625e-05 -0.779532 r- 0.00144798 Found lorentz at 11 1.84124 lm= 1.84124 0.000102687 -6.68312e-17 lp= 1.84124 0.000102687 -0.828415 r- 0.00413188 Found lorentz at 12 2.63398 lm= 2.63398 0.000574971 -1.45301e-17 lp= 2.63398 0.000574978 -0.914031 r- 0.0209687 Q = 8.00000000000356 n0=0.001313991962012901 n1=1.770620200293737e-07 n2=9.054273871596596e-13 n3=0.003824823165614917 n4=0.0004257944511246738 n5=1.644599841242257e-07 n6=2.600888227590837e-12 n7=0.8478516788610423 n8=0.000547734481400616 n9=1.094082593003099e-08 n10=0.001053420729226143 n11=9.562120694394378e-05 n12=5.326290019467279e-09 n13=0.1435642741341789 n14=1.455222493533793e-05 n15=0.001307750990893842 Q is here equal to 8.00000000000356 6.) nd: 8.140629377236639 Norm of Spectral functions:  0: 1.0012  1: 1.0098  2: 1.0326  3: 0.9997  4: 0.9999  5: 1.0000  6: 0.9995  7: 1.0000  8: 0.9978  9: 0.9999 10: 1.0010 11: 0.9946 12: 0.9996 13: 1.0000 14: 1.0012 15: 1.0221  0: 2.1430  1: 5.9976 6.) SelfConsistentStep 6.) Difference between steps: 0.002061 7.) DeterminSpectralFunctions ; lambda = -268.4759112992261 -1.095229763025998 Found lorentz at 7 -0.0294092 lm= -0.0294092 2.68063e-07 -2.25674 lp= -0.0294092 2.68063e-07 -0.846858 r- 0.000100731 Found lorentz at 8 0.623311 lm= 0.623311 1.1956e-06 -9.06e-10 lp= 0.623311 1.1956e-06 -0.886204 r- 1.11993e-05 Found lorentz at 9 1.30884 lm= 1.30884 3.60186e-06 -2.47693e-15 lp= 1.30884 3.60186e-06 -0.944539 r- 0.000127112 Found lorentz at 10 1.11499 lm= 1.11499 3.38738e-05 -1.79405e-16 lp= 1.11499 3.38738e-05 -0.779558 r- 0.00144842 Found lorentz at 11 1.84107 lm= 1.84107 0.000102953 -6.66552e-17 lp= 1.84107 0.000102953 -0.828392 r- 0.00414268 Found lorentz at 12 2.63365 lm= 2.63364 0.000577574 -1.44646e-17 lp= 2.63365 0.000577581 -0.91403 r- 0.0210636 Q = 8.000000000005338 n0=0.001314256574076766 n1=1.770437301554309e-07 n2=9.050714012235322e-13 n3=0.003825327664120542 n4=0.0004258562206573198 n5=1.644289202000827e-07 n6=2.59963917665389e-12 n7=0.8478841976069711 n8=0.0005476213306440528 n9=1.093630684474709e-08 n10=0.001053027372541353 n11=9.558166730678668e-05 n12=5.323379451288341e-09 n13=0.1435329212054799 n14=1.454401622820643e-05 n15=0.001306308606132513 Q is here equal to 8.000000000005338 7.) nd: 8.140594300498963 Norm of Spectral functions:  0: 1.0012  1: 1.0102  2: 1.0328  3: 0.9997  4: 0.9999  5: 1.0000  6: 0.9995  7: 1.0000  8: 0.9978  9: 0.9999 10: 1.0010 11: 0.9939 12: 0.9994 13: 1.0000 14: 1.0012 15: 1.0217  0: 2.1430  1: 5.9976 7.) SelfConsistentStep 7.) Difference between steps: 0.001396 8.) DeterminSpectralFunctions ; lambda = -268.4757017742374 -1.095020238037307 Found lorentz at 7 -0.0294093 lm= -0.0294093 2.68134e-07 -2.25679 lp= -0.0294093 2.68134e-07 -0.846876 r- 0.000100755 Found lorentz at 8 0.623198 lm= 0.623198 1.20018e-06 -9.06847e-10 lp= 0.623198 1.20018e-06 -0.886202 r- 1.12422e-05 Found lorentz at 9 1.30859 lm= 1.30859 3.60896e-06 -2.472e-15 lp= 1.30859 3.60896e-06 -0.94453 r- 0.000127364 Found lorentz at 10 1.11501 lm= 1.11501 3.38819e-05 -1.7937e-16 lp= 1.11501 3.38819e-05 -0.779577 r- 0.00144873 Found lorentz at 11 1.84096 lm= 1.84096 0.000103203 -6.64905e-17 lp= 1.84096 0.000103203 -0.828375 r- 0.00415285 Found lorentz at 12 2.63344 lm= 2.63344 0.00057977 -1.44098e-17 lp= 2.63344 0.000579778 -0.914032 r- 0.0211437 Q = 7.999999999995861 n0=0.001314440170644748 n1=1.770289791656311e-07 n2=9.04825498401393e-13 n3=0.003825697660631697 n4=0.0004258943156023008 n5=1.644017685278425e-07 n6=2.598708309392824e-12 n7=0.8479024683669172 n8=0.0005475541748251679 n9=1.093341499073155e-08 n10=0.001052770318770407 n11=9.555430114396644e-05 n12=5.321363351675995e-09 n13=0.143515377087751 n14=1.453836440740338e-05 n15=0.001305347550276522 Q is here equal to 7.999999999995861 8.) nd: 8.140574236971583 Norm of Spectral functions:  0: 1.0012  1: 1.0105  2: 1.0329  3: 0.9997  4: 0.9999  5: 1.0000  6: 0.9995  7: 1.0000  8: 0.9978  9: 0.9999 10: 1.0010 11: 0.9933 12: 0.9994 13: 1.0000 14: 1.0012 15: 1.0215  0: 2.1430  1: 5.9976 8.) SelfConsistentStep 8.) Difference between steps: 0.0009402 Missing doping : 0 : 0.00726793 1 : 0.0290038