Sig = Sigma.000 Ac = Ac.inp Delta = None cix = out.cix out = . gloc = gloc.out sig = sig.inp susc = Susc.out Ed = [-60.3163,-60.6159,0,0] 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 = -60.3163 Ed1 = -60.6159 T = 0.03 N0 = 4 N1 = 6 valence state0 = 2 5 with Energy0 = -262.012 valence state1 = 3 4 with Energy1 = -261.712 valence state2 = 4 3 with Energy2 = -261.413 valence state3 = 1 6 with Energy3 = -260.212 valence state4 = 2 5 with Energy4 = -259.912 valence state5 = 3 4 with Energy5 = -259.612 valence state6 = 4 3 with Energy6 = -259.313 valence state7 = 2 6 with Energy7 = -267.328 valence state8 = 3 5 with Energy8 = -267.028 valence state9 = 4 4 with Energy9 = -266.729 valence state10 = 2 6 with Energy10 = -265.928 valence state11 = 3 5 with Energy11 = -265.628 valence state12 = 4 4 with Energy12 = -265.329 valence state13 = 3 6 with Energy13 = -265.044 valence state14 = 4 5 with Energy14 = -264.745 valence state15 = 4 6 with Energy15 = -255.461 ***************************************** Sigma.000: Number of entries: 447 Sigma.000: Number of columns: 33 Sigma.000: Peak-position 0 1.) DeterminSpectralFunctions ; lambda = -268.4480088101691 -1.119957881769096 Found lorentz at 7 -0.029404 lm= -0.029404 2.63836e-07 -2.25128 lp= -0.029404 2.63836e-07 -0.844955 r- 9.93656e-05 Found lorentz at 8 0.63235 lm= 0.63235 1.25317e-06 -8.36497e-10 lp= 0.63235 1.25317e-06 -0.885085 r- 1.17534e-05 Found lorentz at 9 1.32934 lm= 1.32934 3.67804e-06 -2.42437e-15 lp= 1.32934 3.67804e-06 -0.944294 r- 0.000129834 Found lorentz at 10 1.11246 lm= 1.11246 3.30503e-05 -1.83024e-16 lp= 1.11246 3.30503e-05 -0.777754 r- 0.00141649 Found lorentz at 11 1.84809 lm= 1.84809 0.000103065 -6.64615e-17 lp= 1.84809 0.000103065 -0.827638 r- 0.00415097 Found lorentz at 12 2.65235 lm= 2.65234 0.000579353 -1.43907e-17 lp= 2.65235 0.00057936 -0.913095 r- 0.0211501 Q = 7.999999999997086 n0=0.001310882162632023 n1=1.772608455751142e-07 n2=9.101874199264999e-13 n3=0.003841161118749885 n4=0.0004250194545704197 n5=1.647042950165567e-07 n6=2.615936679648614e-12 n7=0.845845408585426 n8=0.0005502037649476789 n9=1.105979955134439e-08 n10=0.001062424077982316 n11=9.60145547867586e-05 n12=5.386382535831924e-09 n13=0.1455050953686456 n14=1.482721752038071e-05 n15=0.001348605279890109 Q is here equal to 7.999999999997086 1.) nd: 8.142639728441328 Norm of Spectral functions:  0: 1.0010  1: 0.9953  2: 0.9960  3: 0.9998  4: 0.9999  5: 0.9998  6: 0.9996  7: 1.0000  8: 0.9982  9: 1.0004 10: 1.0007 11: 0.9990 12: 0.9876 13: 1.0001 14: 1.0015 15: 1.0857  0: 2.1450  1: 5.9976 1.) SelfConsistentStep 1.) Difference between steps: 0.02624 2.) DeterminSpectralFunctions ; lambda = -268.4455069223251 -1.117455993925148 Found lorentz at 7 -0.0294058 lm= -0.0294058 2.64162e-07 -2.25193 lp= -0.0294058 2.64162e-07 -0.845149 r- 9.94657e-05 Found lorentz at 8 0.63154 lm= 0.63154 1.24048e-06 -8.42759e-10 lp= 0.63154 1.24048e-06 -0.885224 r- 1.16325e-05 Found lorentz at 9 1.32759 lm= 1.32759 3.65953e-06 -2.43699e-15 lp= 1.32759 3.65953e-06 -0.944364 r- 0.000129171 Found lorentz at 10 1.11271 lm= 1.11271 3.31427e-05 -1.82601e-16 lp= 1.11271 3.31428e-05 -0.777939 r- 0.00142011 Found lorentz at 11 1.84751 lm= 1.84751 0.000102698 -6.6719e-17 lp= 1.84751 0.000102698 -0.827764 r- 0.00413558 Found lorentz at 12 2.65072 lm= 2.65072 0.000575135 -1.44986e-17 lp= 2.65072 0.000575142 -0.913169 r- 0.0209944 Q = 7.999999999996396 n0=0.001310455253306044 n1=1.77156024860928e-07 n2=9.100043531410353e-13 n3=0.003836345533480026 n4=0.0004248911220246173 n5=1.646022166036522e-07 n6=2.615525952583925e-12 n7=0.8460883934557137 n8=0.0005499930523381124 n9=1.105117186361728e-08 n10=0.001061807245893358 n11=9.601068914841556e-05 n12=5.383037030191663e-09 n13=0.1452706767009821 n14=1.480107421657635e-05 n15=0.001346267676921157 Q is here equal to 7.999999999996396 2.) nd: 8.142405979458463 Norm of Spectral functions:  0: 1.0011  1: 0.9956  2: 1.0011  3: 0.9998  4: 0.9999  5: 0.9998  6: 0.9995  7: 1.0000  8: 0.9982  9: 1.0003 10: 1.0008 11: 0.9989 12: 0.9827 13: 1.0001 14: 1.0014 15: 1.0825  0: 2.1448  1: 5.9976 2.) SelfConsistentStep 2.) Difference between steps: 0.0165 3.) DeterminSpectralFunctions ; lambda = -268.4441966434256 -1.116145715025596 Found lorentz at 7 -0.0294086 lm= -0.0294086 2.64514e-07 -2.25232 lp= -0.0294086 2.64514e-07 -0.845218 r- 9.95899e-05 Found lorentz at 8 0.631122 lm= 0.631122 1.23409e-06 -8.45964e-10 lp= 0.631122 1.23409e-06 -0.885277 r- 1.15719e-05 Found lorentz at 9 1.32665 lm= 1.32665 3.65212e-06 -2.44207e-15 lp= 1.32665 3.65212e-06 -0.944391 r- 0.000128906 Found lorentz at 10 1.11278 lm= 1.11278 3.32009e-05 -1.82294e-16 lp= 1.11278 3.32009e-05 -0.777967 r- 0.00142255 Found lorentz at 11 1.84717 lm= 1.84717 0.000102556 -6.6814e-17 lp= 1.84717 0.000102556 -0.827779 r- 0.00412977 Found lorentz at 12 2.64985 lm= 2.64985 0.000574902 -1.4523e-17 lp= 2.64985 0.000574909 -0.913752 r- 0.0209725 Q = 8.000000000002915 n0=0.001310335229435363 n1=1.770860957180037e-07 n2=9.095971643561273e-13 n3=0.003833829919876478 n4=0.0004248573329291089 n5=1.645321391934503e-07 n6=2.614456980165019e-12 n7=0.8462344300194141 n8=0.0005497657745631823 n9=1.104085538761172e-08 n10=0.00106110889786058 n11=9.598092322980959e-05 n12=5.378261128495719e-09 n13=0.1451303651226135 n14=1.478450601840807e-05 n15=0.001344184233184101 Q is here equal to 8.000000000002915 3.) nd: 8.142264153991 Norm of Spectral functions:  0: 1.0012  1: 0.9961  2: 1.0046  3: 0.9997  4: 0.9999  5: 0.9998  6: 0.9995  7: 1.0000  8: 0.9982  9: 1.0002 10: 1.0008 11: 0.9988 12: 1.0010 13: 1.0001 14: 1.0014 15: 1.0791  0: 2.1447  1: 5.9976 3.) SelfConsistentStep 3.) Difference between steps: 0.01037 4.) DeterminSpectralFunctions ; lambda = -268.4435023337669 -1.115451405366912 Found lorentz at 7 -0.0294112 lm= -0.0294112 2.64811e-07 -2.25257 lp= -0.0294112 2.64811e-07 -0.845237 r- 9.96998e-05 Found lorentz at 8 0.630905 lm= 0.630905 1.2319e-06 -8.47627e-10 lp= 0.630905 1.2319e-06 -0.885293 r- 1.15512e-05 Found lorentz at 9 1.32614 lm= 1.32614 3.65098e-06 -2.44288e-15 lp= 1.32614 3.65098e-06 -0.944399 r- 0.000128864 Found lorentz at 10 1.11278 lm= 1.11278 3.32389e-05 -1.82076e-16 lp= 1.11278 3.32389e-05 -0.777946 r- 0.00142422 Found lorentz at 11 1.84696 lm= 1.84696 0.00010257 -6.68014e-17 lp= 1.84696 0.00010257 -0.827756 r- 0.00413043 Found lorentz at 12 2.64939 lm= 2.64938 0.000575859 -1.44989e-17 lp= 2.64938 0.000575865 -0.913752 r- 0.0210074 Q = 8.000000000004436 n0=0.001310348186943541 n1=1.770378911003681e-07 n2=9.090351387511678e-13 n3=0.003832548128418602 n4=0.000424863937264501 n5=1.645040892461837e-07 n6=2.612999621806028e-12 n7=0.8463261499667462 n8=0.000549579687553604 n9=1.103204994918152e-08 n10=0.001060507807268263 n11=9.594747009768229e-05 n12=5.373916653752835e-09 n13=0.1450423942623006 n14=1.477391471490727e-05 n15=0.001342528687223134 Q is here equal to 8.000000000004436 4.) nd: 8.142174123753335 Norm of Spectral functions:  0: 1.0012  1: 0.9964  2: 1.0069  3: 0.9997  4: 0.9999  5: 0.9998  6: 0.9995  7: 1.0000  8: 0.9982  9: 1.0002 10: 1.0008 11: 0.9988 12: 1.0146 13: 1.0001 14: 1.0014 15: 1.0769  0: 2.1446  1: 5.9976 4.) SelfConsistentStep 4.) Difference between steps: 0.006612 5.) DeterminSpectralFunctions ; lambda = -268.4431217883239 -1.11507085992389 Found lorentz at 7 -0.0294131 lm= -0.0294131 2.65033e-07 -2.25272 lp= -0.0294131 2.65033e-07 -0.845239 r- 9.97828e-05 Found lorentz at 8 0.630782 lm= 0.630782 1.23195e-06 -8.48559e-10 lp= 0.630782 1.23195e-06 -0.885295 r- 1.15516e-05 Found lorentz at 9 1.32584 lm= 1.32584 3.65286e-06 -2.44162e-15 lp= 1.32584 3.65286e-06 -0.944399 r- 0.000128931 Found lorentz at 10 1.11276 lm= 1.11276 3.32637e-05 -1.81927e-16 lp= 1.11276 3.32637e-05 -0.777918 r- 0.00142533 Found lorentz at 11 1.84683 lm= 1.84683 0.000102659 -6.67386e-17 lp= 1.84683 0.000102659 -0.827727 r- 0.00413417 Found lorentz at 12 2.64911 lm= 2.64911 0.000577261 -1.44633e-17 lp= 2.64911 0.000577267 -0.913742 r- 0.0210588 Q = 7.999999999997129 n0=0.001310413333978197 n1=1.770054801668246e-07 n2=9.084519288921745e-13 n3=0.003831930702507606 n4=0.0004248858837138319 n5=1.644970190882862e-07 n6=2.611463996875443e-12 n7=0.8463831952991252 n8=0.0005494414026821684 n9=1.102578619932418e-08 n10=0.001060038798033563 n11=9.591772402299355e-05 n12=5.370733732911448e-09 n13=0.1449877724176649 n14=1.476718609287856e-05 n15=0.001341279349639743 Q is here equal to 7.999999999997129 5.) nd: 8.14211752687682 Norm of Spectral functions:  0: 1.0012  1: 0.9966  2: 1.0084  3: 0.9997  4: 0.9999  5: 0.9998  6: 0.9995  7: 1.0000  8: 0.9982  9: 1.0002 10: 1.0008 11: 0.9987 12: 1.0176 13: 1.0001 14: 1.0014 15: 1.0755  0: 2.1445  1: 5.9976 5.) SelfConsistentStep 5.) Difference between steps: 0.004155 6.) DeterminSpectralFunctions ; lambda = -268.4429038983581 -1.114852969958122 Found lorentz at 7 -0.0294144 lm= -0.0294144 2.65185e-07 -2.25281 lp= -0.0294144 2.65185e-07 -0.845239 r- 9.98401e-05 Found lorentz at 8 0.630705 lm= 0.630705 1.23299e-06 -8.49137e-10 lp= 0.630705 1.23299e-06 -0.885292 r- 1.15614e-05 Found lorentz at 9 1.32565 lm= 1.32565 3.65587e-06 -2.43959e-15 lp= 1.32565 3.65587e-06 -0.944394 r- 0.000129038 Found lorentz at 10 1.11275 lm= 1.11275 3.328e-05 -1.81828e-16 lp= 1.11275 3.328e-05 -0.777898 r- 0.00142607 Found lorentz at 11 1.84674 lm= 1.84674 0.000102771 -6.66616e-17 lp= 1.84674 0.000102771 -0.827701 r- 0.00413882 Found lorentz at 12 2.64892 lm= 2.64892 0.000578661 -1.44279e-17 lp= 2.64892 0.000578668 -0.913728 r- 0.0211102 Q = 8.000000000003867 n0=0.001310490779955306 n1=1.769844848675051e-07 n2=9.079535976904849e-13 n3=0.003831660866740502 n4=0.0004249109470183653 n5=1.644922457402613e-07 n6=2.610101407760365e-12 n7=0.8464180501892395 n8=0.0005493451090345223 n9=1.102197291326064e-08 n10=0.001059694170837493 n11=9.589399577464578e-05 n12=5.368750351774743e-09 n13=0.1449544631262668 n14=1.476292564319824e-05 n15=0.001340370018517803 Q is here equal to 8.000000000003867 6.) nd: 8.142082562014982 Norm of Spectral functions:  0: 1.0012  1: 0.9968  2: 1.0094  3: 0.9997  4: 0.9999  5: 0.9998  6: 0.9995  7: 1.0000  8: 0.9981  9: 1.0002 10: 1.0008 11: 0.9987 12: 1.0177 13: 1.0001 14: 1.0014 15: 1.0747  0: 2.1445  1: 5.9976 6.) SelfConsistentStep 6.) Difference between steps: 0.002575 7.) DeterminSpectralFunctions ; lambda = -268.4427733427939 -1.114722414393896 Found lorentz at 7 -0.0294152 lm= -0.0294152 2.65284e-07 -2.25287 lp= -0.0294152 2.65284e-07 -0.845239 r- 9.98775e-05 Found lorentz at 8 0.630653 lm= 0.630653 1.23431e-06 -8.49526e-10 lp= 0.630653 1.23431e-06 -0.885289 r- 1.15738e-05 Found lorentz at 9 1.32553 lm= 1.32553 3.65898e-06 -2.43748e-15 lp= 1.32553 3.65898e-06 -0.944389 r- 0.000129148 Found lorentz at 10 1.11274 lm= 1.11274 3.32906e-05 -1.81765e-16 lp= 1.11274 3.32906e-05 -0.777887 r- 0.00142654 Found lorentz at 11 1.84668 lm= 1.84668 0.000102879 -6.65881e-17 lp= 1.84668 0.000102879 -0.82768 r- 0.00414328 Found lorentz at 12 2.6488 lm= 2.64879 0.000579853 -1.43977e-17 lp= 2.6488 0.00057986 -0.913713 r- 0.021154 Q = 7.999999999999059 n0=0.001310562423632012 n1=1.769716007267191e-07 n2=9.075936894123556e-13 n3=0.003831564520533332 n4=0.0004249336939949052 n5=1.644869379676747e-07 n6=2.609080447650806e-12 n7=0.8464390048408118 n8=0.0005492816371028874 n9=1.102006106766404e-08 n10=0.001059451940847912 n11=9.58763172318704e-05 n12=5.367699224130283e-09 n13=0.1449344795758055 n14=1.476025728270721e-05 n15=0.001339726942941351 Q is here equal to 7.999999999999059 7.) nd: 8.142061291618754 Norm of Spectral functions:  0: 1.0012  1: 0.9969  2: 1.0100  3: 0.9997  4: 0.9999  5: 0.9998  6: 0.9995  7: 1.0000  8: 0.9981  9: 1.0002 10: 1.0008 11: 0.9987 12: 1.0173 13: 1.0001 14: 1.0014 15: 1.0742  0: 2.1445  1: 5.9976 7.) SelfConsistentStep 7.) Difference between steps: 0.001586 8.) DeterminSpectralFunctions ; lambda = -268.4426918750666 -1.114640946666611 Found lorentz at 7 -0.0294156 lm= -0.0294156 2.65347e-07 -2.2529 lp= -0.0294156 2.65347e-07 -0.84524 r- 9.99009e-05 Found lorentz at 8 0.630616 lm= 0.630616 1.2356e-06 -8.498e-10 lp= 0.630616 1.2356e-06 -0.885286 r- 1.1586e-05 Found lorentz at 9 1.32545 lm= 1.32545 3.66175e-06 -2.43562e-15 lp= 1.32545 3.66175e-06 -0.944385 r- 0.000129246 Found lorentz at 10 1.11274 lm= 1.11274 3.32975e-05 -1.81726e-16 lp= 1.11274 3.32975e-05 -0.777883 r- 0.00142684 Found lorentz at 11 1.84664 lm= 1.84664 0.000102973 -6.65252e-17 lp= 1.84664 0.000102973 -0.827666 r- 0.00414713 Found lorentz at 12 2.64871 lm= 2.64871 0.000580787 -1.43742e-17 lp= 2.64871 0.000580793 -0.913701 r- 0.0211884 Q = 8.000000000001577 n0=0.001310621668900665 n1=1.769643629110436e-07 n2=9.073801098077507e-13 n3=0.003831548750579 n4=0.0004249522509519381 n5=1.644818978791783e-07 n6=2.608445962576401e-12 n7=0.8464514393819301 n8=0.0005492419192188467 n9=1.10194490509632e-08 n10=0.001059287617055973 n11=9.586377294724102e-05 n12=5.367282692255988e-09 n13=0.1449226453894987 n14=1.475862152160657e-05 n15=0.001339282790887561 Q is here equal to 8.000000000001577 8.) nd: 8.142048505472586 Norm of Spectral functions:  0: 1.0012  1: 0.9970  2: 1.0104  3: 0.9997  4: 0.9999  5: 0.9998  6: 0.9995  7: 1.0000  8: 0.9981  9: 1.0002 10: 1.0008 11: 0.9987 12: 1.0170 13: 1.0001 14: 1.0014 15: 1.0739  0: 2.1444  1: 5.9976 8.) SelfConsistentStep 8.) Difference between steps: 0.0009754 Missing doping : 0 : 0.00735452 1 : 0.0273184