Sig = Sigma.000 Ac = Ac.inp Delta = None cix = out.cix out = . gloc = gloc.out sig = sig.inp susc = Susc.out Ed = [-60.3272,-60.6267,0,0] 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 = -60.3272 Ed1 = -60.6267 T = 0.03 N0 = 4 N1 = 6 valence state0 = 2 5 with Energy0 = -262.088 valence state1 = 3 4 with Energy1 = -261.788 valence state2 = 4 3 with Energy2 = -261.489 valence state3 = 1 6 with Energy3 = -260.287 valence state4 = 2 5 with Energy4 = -259.988 valence state5 = 3 4 with Energy5 = -259.688 valence state6 = 4 3 with Energy6 = -259.389 valence state7 = 2 6 with Energy7 = -267.415 valence state8 = 3 5 with Energy8 = -267.115 valence state9 = 4 4 with Energy9 = -266.816 valence state10 = 2 6 with Energy10 = -266.015 valence state11 = 3 5 with Energy11 = -265.715 valence state12 = 4 4 with Energy12 = -265.416 valence state13 = 3 6 with Energy13 = -265.142 valence state14 = 4 5 with Energy14 = -264.842 valence state15 = 4 6 with Energy15 = -255.569 ***************************************** Sigma.000: Number of entries: 447 Sigma.000: Number of columns: 33 Sigma.000: Peak-position 0 1.) DeterminSpectralFunctions ; lambda = -268.5111732700976 -1.09653279049752 Found lorentz at 7 -0.0293915 lm= -0.0293915 2.68161e-07 -2.25506 lp= -0.0293915 2.68161e-07 -0.846724 r- 0.000100784 Found lorentz at 8 0.624319 lm= 0.624319 1.23162e-06 -8.9832e-10 lp= 0.624319 1.23162e-06 -0.886161 r- 1.15372e-05 Found lorentz at 9 1.3111 lm= 1.3111 3.66316e-06 -2.43636e-15 lp= 1.3111 3.66316e-06 -0.94471 r- 0.000129252 Found lorentz at 10 1.11481 lm= 1.11481 3.3769e-05 -1.79888e-16 lp= 1.11481 3.3769e-05 -0.7794 r- 0.00144423 Found lorentz at 11 1.84197 lm= 1.84197 0.000104358 -6.57444e-17 lp= 1.84197 0.000104358 -0.828308 r- 0.00419964 Found lorentz at 12 2.6364 lm= 2.6364 0.000604653 -1.3829e-17 lp= 2.6364 0.000604661 -0.914433 r- 0.0220414 Q = 7.999999999995276 n0=0.001313729196510146 n1=1.77125038676194e-07 n2=9.057609545180372e-13 n3=0.003827678201379812 n4=0.0004256137857741654 n5=1.644314846117734e-07 n6=2.599673275012186e-12 n7=0.847257109310025 n8=0.0005487392827708389 n9=1.096159598990299e-08 n10=0.001055993842588717 n11=9.570447199164625e-05 n12=5.331445089993319e-09 n13=0.1441498023832669 n14=1.459189016709218e-05 n15=0.001310679782456033 Q is here equal to 7.999999999995276 1.) nd: 8.141218391094652 Norm of Spectral functions:  0: 1.0011  1: 1.0120  2: 1.0320  3: 0.9998  4: 0.9998  5: 1.0000  6: 1.0001  7: 1.0000  8: 0.9978  9: 0.9999 10: 1.0010 11: 0.9962 12: 1.0005 13: 1.0000 14: 1.0013 15: 1.0164  0: 2.1436  1: 5.9976 1.) SelfConsistentStep 1.) Difference between steps: 0.004884 2.) DeterminSpectralFunctions ; lambda = -268.5125358832638 -1.097895403663699 Found lorentz at 7 -0.0293958 lm= -0.0293958 2.68263e-07 -2.25492 lp= -0.0293958 2.68263e-07 -0.846553 r- 0.000100842 Found lorentz at 8 0.624924 lm= 0.624924 1.23849e-06 -8.93635e-10 lp= 0.624924 1.23849e-06 -0.886058 r- 1.16029e-05 Found lorentz at 9 1.31253 lm= 1.31253 3.67895e-06 -2.42596e-15 lp= 1.31253 3.67895e-06 -0.944723 r- 0.000129807 Found lorentz at 10 1.11453 lm= 1.11453 3.3737e-05 -1.7995e-16 lp= 1.11453 3.37371e-05 -0.779165 r- 0.0014433 Found lorentz at 11 1.84236 lm= 1.84236 0.000104589 -6.55738e-17 lp= 1.84236 0.000104589 -0.828148 r- 0.00420975 Found lorentz at 12 2.63779 lm= 2.63778 0.00061126 -1.36797e-17 lp= 2.63779 0.000611268 -0.914439 r- 0.0222821 Q = 7.999999999996829 n0=0.0013140093456353 n1=1.771720933149345e-07 n2=9.061908772600022e-13 n3=0.003828461264827532 n4=0.0004257260941951514 n5=1.64475897056682e-07 n6=2.600944990549401e-12 n7=0.8472080054925627 n8=0.0005490133514194944 n9=1.09690386896438e-08 n10=0.001056529371466837 n11=9.575743809239636e-05 n12=5.335071481142528e-09 n13=0.1441948762536658 n14=1.460649041892564e-05 n15=0.001312656942108314 Q is here equal to 7.999999999996829 2.) nd: 8.141266258272147 Norm of Spectral functions:  0: 1.0011  1: 1.0118  2: 1.0316  3: 0.9998  4: 0.9998  5: 1.0000  6: 1.0002  7: 1.0000  8: 0.9979  9: 1.0000 10: 1.0010 11: 0.9967 12: 1.0011 13: 1.0000 14: 1.0013 15: 1.0172  0: 2.1437  1: 5.9976 2.) SelfConsistentStep 2.) Difference between steps: 0.002929 3.) DeterminSpectralFunctions ; lambda = -268.5132852199635 -1.098644740363454 Found lorentz at 7 -0.0293978 lm= -0.0293978 2.68316e-07 -2.25484 lp= -0.0293978 2.68316e-07 -0.846466 r- 0.000100873 Found lorentz at 8 0.62528 lm= 0.62528 1.24196e-06 -8.90894e-10 lp= 0.62528 1.24196e-06 -0.886013 r- 1.16361e-05 Found lorentz at 9 1.31335 lm= 1.31335 3.68683e-06 -2.42086e-15 lp= 1.31335 3.68683e-06 -0.944737 r- 0.000130083 Found lorentz at 10 1.11439 lm= 1.11439 3.37238e-05 -1.79967e-16 lp= 1.11439 3.37238e-05 -0.779049 r- 0.00144295 Found lorentz at 11 1.84262 lm= 1.84262 0.000104706 -6.54899e-17 lp= 1.84262 0.000104706 -0.828083 r- 0.00421481 Found lorentz at 12 2.63859 lm= 2.63859 0.000614538 -1.36073e-17 lp= 2.63859 0.000614546 -0.914458 r- 0.0224012 Q = 7.999999999992078 n0=0.001314135099211648 n1=1.772376201056429e-07 n2=9.06688875605104e-13 n3=0.003828845952074292 n4=0.0004257862986408098 n5=1.64539509884522e-07 n6=2.60240666186723e-12 n7=0.8471769839075927 n8=0.0005492417336050601 n9=1.097656712752154e-08 n10=0.001056983844836795 n11=9.580083524550755e-05 n12=5.338845463858133e-09 n13=0.1442232393195967 n14=1.461891880661839e-05 n15=0.001314005994338204 Q is here equal to 7.999999999992078 3.) nd: 8.141296761096513 Norm of Spectral functions:  0: 1.0011  1: 1.0116  2: 1.0316  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: 0.9970 12: 1.0014 13: 1.0000 14: 1.0013 15: 1.0177  0: 2.1437  1: 5.9976 3.) SelfConsistentStep 3.) Difference between steps: 0.001876 4.) DeterminSpectralFunctions ; lambda = -268.5137003683 -1.099059888699969 Found lorentz at 7 -0.0293987 lm= -0.0293987 2.68341e-07 -2.25478 lp= -0.0293987 2.68341e-07 -0.846421 r- 0.000100887 Found lorentz at 8 0.625491 lm= 0.625491 1.24283e-06 -8.89278e-10 lp= 0.625491 1.24283e-06 -0.885995 r- 1.16444e-05 Found lorentz at 9 1.31383 lm= 1.31383 3.68946e-06 -2.4192e-15 lp= 1.31383 3.68946e-06 -0.94475 r- 0.000130174 Found lorentz at 10 1.11432 lm= 1.11432 3.3718e-05 -1.79971e-16 lp= 1.11432 3.3718e-05 -0.778991 r- 0.0014428 Found lorentz at 11 1.84279 lm= 1.84279 0.000104721 -6.54771e-17 lp= 1.84279 0.000104721 -0.828061 r- 0.00421553 Found lorentz at 12 2.63906 lm= 2.63906 0.000615937 -1.35769e-17 lp= 2.63906 0.000615945 -0.914477 r- 0.0224517 Q = 8.00000000000167 n0=0.001314183209831004 n1=1.773071075700631e-07 n2=9.072259619400838e-13 n3=0.003829021003937205 n4=0.0004258170887086913 n5=1.646071555865975e-07 n6=2.60398302139748e-12 n7=0.8471577600436734 n8=0.0005494151814227644 n9=1.098390849845502e-08 n10=0.001057335656434326 n11=9.583397761551911e-05 n12=5.342567780649245e-09 n13=0.1442407289653813 n14=1.462920897437994e-05 n15=0.001314917419770597 Q is here equal to 8.00000000000167 4.) nd: 8.141315829793644 Norm of Spectral functions:  0: 1.0011  1: 1.0115  2: 1.0316  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: 0.9971 12: 1.0016 13: 1.0000 14: 1.0013 15: 1.0180  0: 2.1437  1: 5.9976 4.) SelfConsistentStep 4.) Difference between steps: 0.001231 5.) DeterminSpectralFunctions ; lambda = -268.513932357417 -1.099291877816938 Found lorentz at 7 -0.0293991 lm= -0.0293991 2.68351e-07 -2.25475 lp= -0.0293991 2.68351e-07 -0.846398 r- 0.000100894 Found lorentz at 8 0.625618 lm= 0.625618 1.24213e-06 -8.88316e-10 lp= 0.625618 1.24213e-06 -0.885989 r- 1.1638e-05 Found lorentz at 9 1.31411 lm= 1.31411 3.68909e-06 -2.41949e-15 lp= 1.31411 3.68909e-06 -0.94476 r- 0.00013016 Found lorentz at 10 1.11429 lm= 1.11429 3.3715e-05 -1.79974e-16 lp= 1.11429 3.3715e-05 -0.778962 r- 0.00144273 Found lorentz at 11 1.8429 lm= 1.8429 0.000104671 -6.55077e-17 lp= 1.8429 0.000104671 -0.828057 r- 0.00421353 Found lorentz at 12 2.63934 lm= 2.63934 0.000616345 -1.35683e-17 lp= 2.63934 0.000616353 -0.91449 r- 0.0224663 Q = 8.000000000000586 n0=0.001314194711520562 n1=1.773712742103492e-07 n2=9.077787815395358e-13 n3=0.00382909047529437 n4=0.0004258320007325328 n5=1.646696521090844e-07 n6=2.60560804367229e-12 n7=0.847146059187859 n8=0.0005495395391880143 n9=1.099077977724662e-08 n10=0.001057592989058227 n11=9.585812392762187e-05 n12=5.346063358892699e-09 n13=0.1442513102221244 n14=1.463744773406124e-05 n15=0.001315526921278385 Q is here equal to 8.000000000000586 5.) nd: 8.141327542280427 Norm of Spectral functions:  0: 1.0011  1: 1.0114  2: 1.0317  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: 0.9972 12: 1.0018 13: 1.0000 14: 1.0013 15: 1.0182  0: 2.1437  1: 5.9976 5.) SelfConsistentStep 5.) Difference between steps: 0.0008125 Missing doping : 0 : 0.00708026 1 : 0.0281919