Sig = Sigma.000 Ac = Ac.inp Delta = None cix = out.cix out = . gloc = gloc.out sig = sig.inp susc = Susc.out Ed = [-60.2866,-60.5837,0,0] 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 = -60.2866 Ed1 = -60.5837 T = 0.03 N0 = 4 N1 = 6 valence state0 = 2 5 with Energy0 = -261.792 valence state1 = 3 4 with Energy1 = -261.495 valence state2 = 4 3 with Energy2 = -261.197 valence state3 = 1 6 with Energy3 = -259.989 valence state4 = 2 5 with Energy4 = -259.692 valence state5 = 3 4 with Energy5 = -259.395 valence state6 = 4 3 with Energy6 = -259.097 valence state7 = 2 6 with Energy7 = -267.076 valence state8 = 3 5 with Energy8 = -266.778 valence state9 = 4 4 with Energy9 = -266.481 valence state10 = 2 6 with Energy10 = -265.676 valence state11 = 3 5 with Energy11 = -265.378 valence state12 = 4 4 with Energy12 = -265.081 valence state13 = 3 6 with Energy13 = -264.762 valence state14 = 4 5 with Energy14 = -264.465 valence state15 = 4 6 with Energy15 = -255.149 ***************************************** Sigma.000: Number of entries: 447 Sigma.000: Number of columns: 33 Sigma.000: Peak-position 0 1.) DeterminSpectralFunctions ; lambda = -268.1708089430451 -1.095274050845148 Found lorentz at 7 -0.029453 lm= -0.029453 2.61992e-07 -2.26185 lp= -0.029453 2.61992e-07 -0.847542 r- 9.83701e-05 Found lorentz at 8 0.622484 lm= 0.622484 1.16459e-06 -9.13003e-10 lp= 0.622484 1.16459e-06 -0.886925 r- 1.08999e-05 Found lorentz at 9 1.30713 lm= 1.30713 3.50428e-06 -2.54883e-15 lp= 1.30713 3.50428e-06 -0.945082 r- 0.000123597 Found lorentz at 10 1.1163 lm= 1.1163 3.29828e-05 -1.8493e-16 lp= 1.1163 3.29828e-05 -0.780993 r- 0.00140773 Found lorentz at 11 1.84176 lm= 1.84176 9.9161e-05 -6.94715e-17 lp= 1.84176 9.9161e-05 -0.829992 r- 0.00398241 Found lorentz at 12 2.6333 lm= 2.6333 0.000541753 -1.54592e-17 lp= 2.6333 0.000541759 -0.915161 r- 0.0197328 Q = 8.000000000003462 n0=0.00130101281711295 n1=1.734515049772144e-07 n2=8.812341157153959e-13 n3=0.0038509960879458 n4=0.0004205575754000847 n5=1.608925425790714e-07 n6=2.529751828805022e-12 n7=0.8497837551803714 n8=0.000538496188856537 n9=1.067372083404938e-08 n10=0.001043172588295919 n11=9.377763570129765e-05 n12=5.191114985370987e-09 n13=0.1416656366805176 n14=1.423558357738124e-05 n15=0.001288009449926734 Q is here equal to 8.000000000003462 1.) nd: 8.138682990336031 Norm of Spectral functions:  0: 1.0010  1: 1.0113  2: 1.0120  3: 0.9997  4: 0.9999  5: 1.0001  6: 1.0002  7: 1.0000  8: 0.9977  9: 0.9998 10: 1.0012 11: 0.9961 12: 0.9993 13: 1.0000 14: 1.0013 15: 1.0793  0: 2.1411  1: 5.9976 1.) SelfConsistentStep 1.) Difference between steps: 0.01691 2.) DeterminSpectralFunctions ; lambda = -268.16333876787 -1.087803875669977 Found lorentz at 7 -0.0294312 lm= -0.0294312 2.6079e-07 -2.26295 lp= -0.0294312 2.6079e-07 -0.848567 r- 9.78006e-05 Found lorentz at 8 0.619867 lm= 0.619867 1.13691e-06 -1.05405e-09 lp= 0.619867 1.13691e-06 -0.891586 r- 1.21632e-05 Found lorentz at 9 1.30135 lm= 1.30135 3.42647e-06 -2.60797e-15 lp= 1.30135 3.42647e-06 -0.945311 r- 0.000120823 Found lorentz at 10 1.11798 lm= 1.11798 3.30465e-05 -1.85268e-16 lp= 1.11798 3.30466e-05 -0.782462 r- 0.0014078 Found lorentz at 11 1.84051 lm= 1.84051 9.77868e-05 -7.06398e-17 lp= 1.84051 9.77869e-05 -0.831123 r- 0.00392188 Found lorentz at 12 2.62815 lm= 2.62815 0.000514547 -1.62919e-17 lp= 2.62815 0.000514552 -0.915592 r- 0.018733 Q = 7.999999999998188 n0=0.001291399316271113 n1=1.727095792229264e-07 n2=8.758635494854243e-13 n3=0.003841164013171812 n4=0.0004173230838478684 n5=1.601842910205421e-07 n6=2.514016328821627e-12 n7=0.8501893541187857 n8=0.0005361223781578425 n9=1.061087047222775e-08 n10=0.001039277678613188 n11=9.329496128914147e-05 n12=5.159484885232965e-09 n13=0.1412993099340142 n14=1.415611927188735e-05 n15=0.001278249728961706 Q is here equal to 7.999999999998188 2.) nd: 8.13831974620066 Norm of Spectral functions:  0: 1.0009  1: 1.0115  2: 1.0050  3: 0.9997  4: 0.9999  5: 1.0002  6: 1.0002  7: 1.0000  8: 1.0022  9: 0.9997 10: 1.0016 11: 0.9894 12: 0.9970 13: 1.0001 14: 1.0013 15: 1.0697  0: 2.1407  1: 5.9976 2.) SelfConsistentStep 2.) Difference between steps: 0.009787 3.) DeterminSpectralFunctions ; lambda = -268.1592828786198 -1.08374798641978 Found lorentz at 7 -0.0294221 lm= -0.0294221 2.59952e-07 -2.26365 lp= -0.0294221 2.59952e-07 -0.849085 r- 9.74267e-05 Found lorentz at 8 0.618402 lm= 0.618402 1.12931e-06 -1.4716e-09 lp= 0.618402 1.12931e-06 -0.891922 r- 1.20773e-05 Found lorentz at 9 1.29817 lm= 1.29817 3.39084e-06 -2.63895e-15 lp= 1.29817 3.39084e-06 -0.945951 r- 0.000119486 Found lorentz at 10 1.11881 lm= 1.11881 3.29879e-05 -1.85942e-16 lp= 1.11881 3.29879e-05 -0.783187 r- 0.001404 Found lorentz at 11 1.83972 lm= 1.83972 9.71904e-05 -7.15307e-17 lp= 1.83972 9.71905e-05 -0.833793 r- 0.00388548 Found lorentz at 12 2.62526 lm= 2.62525 0.000501129 -1.67347e-17 lp= 2.62526 0.000501135 -0.915771 r- 0.0182409 Q = 7.999999999996461 n0=0.001286422580922158 n1=1.719593309365779e-07 n2=8.705991375059624e-13 n3=0.003836047497679863 n4=0.0004154806174068157 n5=1.594573002108957e-07 n6=2.498622995135721e-12 n7=0.8504459684865207 n8=0.0005337786917942313 n9=1.05512939370462e-08 n10=0.001035677705427271 n11=9.28729822907328e-05 n12=5.12959521699278e-09 n13=0.1410683664158996 n14=1.408065985587559e-05 n15=0.001270957261313494 Q is here equal to 7.999999999996461 3.) nd: 8.138086079482374 Norm of Spectral functions:  0: 1.0009  1: 1.0114  2: 0.9994  3: 0.9998  4: 0.9999  5: 1.0002  6: 1.0003  7: 1.0000  8: 1.0018  9: 1.0003 10: 1.0020 11: 1.0123 12: 0.9946 13: 1.0001 14: 1.0013 15: 1.0672  0: 2.1404  1: 5.9977 3.) SelfConsistentStep 3.) Difference between steps: 0.006626 4.) DeterminSpectralFunctions ; lambda = -268.1570543826974 -1.081519490497385 Found lorentz at 7 -0.0294181 lm= -0.0294181 2.59384e-07 -2.26405 lp= -0.0294181 2.59384e-07 -0.849351 r- 9.71835e-05 Found lorentz at 8 0.617567 lm= 0.617567 1.1298e-06 -1.70966e-09 lp= 0.617567 1.1298e-06 -0.892081 r- 1.20804e-05 Found lorentz at 9 1.2964 lm= 1.2964 3.38026e-06 -2.64744e-15 lp= 1.2964 3.38026e-06 -0.945993 r- 0.000119108 Found lorentz at 10 1.11923 lm= 1.11923 3.29051e-05 -1.86582e-16 lp= 1.11923 3.29051e-05 -0.78355 r- 0.00139983 Found lorentz at 11 1.83921 lm= 1.83921 9.69258e-05 -7.17658e-17 lp= 1.83921 9.69259e-05 -0.834024 r- 0.00387382 Found lorentz at 12 2.62361 lm= 2.6236 0.00049605 -1.69087e-17 lp= 2.62361 0.000496055 -0.915844 r- 0.0180546 Q = 7.999999999996532 n0=0.0012835758539086 n1=1.712102690780452e-07 n2=8.655166081136243e-13 n3=0.00383352639181293 n4=0.0004146266841005761 n5=1.587447338272485e-07 n6=2.483775639857789e-12 n7=0.8505933603573453 n8=0.0005318617009486964 n9=1.049464129578262e-08 n10=0.001032766694598683 n11=9.253972149736104e-05 n12=5.101238344463125e-09 n13=0.1409377020331577 n14=1.401021434392301e-05 n15=0.001265684794054415 Q is here equal to 7.999999999996532 4.) nd: 8.137951022947437 Norm of Spectral functions:  0: 1.0009  1: 1.0111  2: 0.9955  3: 0.9998  4: 0.9999  5: 1.0002  6: 1.0003  7: 1.0000  8: 1.0018  9: 1.0002 10: 1.0025 11: 1.0058 12: 0.9920 13: 1.0001 14: 1.0012 15: 1.0663  0: 2.1403  1: 5.9977 4.) SelfConsistentStep 4.) Difference between steps: 0.004552 5.) DeterminSpectralFunctions ; lambda = -268.1558277143403 -1.080292822140336 Found lorentz at 7 -0.0294164 lm= -0.0294164 2.5902e-07 -2.26428 lp= -0.0294164 2.5902e-07 -0.849486 r- 9.70316e-05 Found lorentz at 8 0.617082 lm= 0.617082 1.13499e-06 -1.84809e-09 lp= 0.617082 1.13499e-06 -0.892149 r- 1.21349e-05 Found lorentz at 9 1.29541 lm= 1.29541 3.38312e-06 -2.64528e-15 lp= 1.29541 3.38312e-06 -0.946006 r- 0.000119207 Found lorentz at 10 1.11944 lm= 1.11944 3.2832e-05 -1.87082e-16 lp= 1.11944 3.2832e-05 -0.783727 r- 0.0013964 Found lorentz at 11 1.83885 lm= 1.83885 9.70146e-05 -7.17136e-17 lp= 1.83885 9.70146e-05 -0.834103 r- 0.00387701 Found lorentz at 12 2.62265 lm= 2.62265 0.000495581 -1.69256e-17 lp= 2.62265 0.000495586 -0.915867 r- 0.0180371 Q = 7.999999999997382 n0=0.001281967983378888 n1=1.705173957079768e-07 n2=8.60638056463667e-13 n3=0.003832383080827845 n4=0.0004140859016249458 n5=1.58085639870268e-07 n6=2.469536930892056e-12 n7=0.8506777115925607 n8=0.0005304298423391207 n9=1.044084273994337e-08 n10=0.001030605987550122 n11=9.229707759384162e-05 n12=5.074427535820755e-09 n13=0.1408642137216631 n14=1.394753020014225e-05 n15=0.001262013160625299 Q is here equal to 7.999999999997382 5.) nd: 8.137873422000917 Norm of Spectral functions:  0: 1.0008  1: 1.0108  2: 0.9928  3: 0.9998  4: 0.9999  5: 1.0002  6: 1.0004  7: 1.0000  8: 1.0017  9: 1.0002 10: 1.0031 11: 1.0044 12: 0.9892 13: 1.0001 14: 1.0012 15: 1.0659  0: 2.1402  1: 5.9977 5.) SelfConsistentStep 5.) Difference between steps: 0.003153 6.) DeterminSpectralFunctions ; lambda = -268.1551508402869 -1.079615948086939 Found lorentz at 7 -0.0294158 lm= -0.0294158 2.58796e-07 -2.26442 lp= -0.0294158 2.58796e-07 -0.849554 r- 9.69399e-05 Found lorentz at 8 0.616802 lm= 0.616802 1.14211e-06 -1.92782e-09 lp= 0.616802 1.14211e-06 -0.892177 r- 1.22107e-05 Found lorentz at 9 1.29487 lm= 1.29487 3.39164e-06 -2.63864e-15 lp= 1.29487 3.39164e-06 -0.946009 r- 0.000119507 Found lorentz at 10 1.11954 lm= 1.11954 3.27771e-05 -1.87436e-16 lp= 1.11954 3.27771e-05 -0.783813 r- 0.00139392 Found lorentz at 11 1.83862 lm= 1.83862 9.72588e-05 -7.15364e-17 lp= 1.83862 9.72588e-05 -0.834119 r- 0.00388669 Found lorentz at 12 2.6221 lm= 2.6221 0.00049696 -1.68788e-17 lp= 2.6221 0.000496965 -0.915873 r- 0.0180872 Q = 7.999999999991763 n0=0.001281062415356565 n1=1.699208673805727e-07 n2=8.559755949540477e-13 n3=0.003831954085303253 n4=0.0004137662014073331 n5=1.575194160167834e-07 n6=2.455943149388847e-12 n7=0.8507249171021091 n8=0.0005294116293795291 n9=1.039074921063777e-08 n10=0.001029084022378067 n11=9.212670109381266e-05 n12=5.049552268102409e-09 n13=0.140823916198304 n14=1.389496165797684e-05 n15=0.001259523799113702 Q is here equal to 7.999999999991763 6.) nd: 8.137829748612528 Norm of Spectral functions:  0: 1.0008  1: 1.0105  2: 0.9911  3: 0.9998  4: 0.9999  5: 1.0002  6: 1.0004  7: 1.0000  8: 1.0017  9: 1.0002 10: 1.0035 11: 1.0038 12: 0.9868 13: 1.0001 14: 1.0012 15: 1.0657  0: 2.1402  1: 5.9977 6.) SelfConsistentStep 6.) Difference between steps: 0.002172 7.) DeterminSpectralFunctions ; lambda = -268.1547775414511 -1.079242649251114 Found lorentz at 7 -0.0294156 lm= -0.0294156 2.58664e-07 -2.26449 lp= -0.0294156 2.58664e-07 -0.849587 r- 9.68868e-05 Found lorentz at 8 0.616642 lm= 0.616642 1.14942e-06 -1.97329e-09 lp= 0.616642 1.14942e-06 -0.892186 r- 1.22888e-05 Found lorentz at 9 1.29458 lm= 1.29458 3.40166e-06 -2.63087e-15 lp= 1.29458 3.40166e-06 -0.946009 r- 0.00011986 Found lorentz at 10 1.11959 lm= 1.11959 3.27398e-05 -1.87669e-16 lp= 1.11959 3.27398e-05 -0.783851 r- 0.00139226 Found lorentz at 11 1.83848 lm= 1.83848 9.75496e-05 -7.1322e-17 lp= 1.83848 9.75496e-05 -0.834112 r- 0.00389834 Found lorentz at 12 2.62179 lm= 2.62179 0.000498897 -1.68134e-17 lp= 2.62179 0.000498902 -0.915876 r- 0.0181576 Q = 8.000000000007189 n0=0.001280552508276114 n1=1.694348642902492e-07 n2=8.515625965899065e-13 n3=0.003831864667391668 n4=0.0004135795695272143 n5=1.570586850510443e-07 n6=2.443092135564823e-12 n7=0.8507510521704267 n8=0.0005287125315279377 n9=1.034564399275821e-08 n10=0.001028052124148726 n11=9.201056353049471e-05 n12=5.027218252002329e-09 n13=0.1408021087243647 n14=1.385289310917903e-05 n15=0.001257872377991173 Q is here equal to 8.000000000007189 7.) nd: 8.137805383131417 Norm of Spectral functions:  0: 1.0008  1: 1.0104  2: 0.9899  3: 0.9998  4: 0.9999  5: 1.0002  6: 1.0004  7: 1.0000  8: 1.0017  9: 1.0002 10: 1.0037 11: 1.0036 12: 0.9851 13: 1.0001 14: 1.0012 15: 1.0657  0: 2.1401  1: 5.9977 7.) SelfConsistentStep 7.) Difference between steps: 0.00148 8.) DeterminSpectralFunctions ; lambda = -268.1545721342766 -1.079037242076652 Found lorentz at 7 -0.0294156 lm= -0.0294156 2.58591e-07 -2.26453 lp= -0.0294156 2.58591e-07 -0.849603 r- 9.68577e-05 Found lorentz at 8 0.616553 lm= 0.616553 1.156e-06 -1.99883e-09 lp= 0.616553 1.156e-06 -0.892187 r- 1.23591e-05 Found lorentz at 9 1.29442 lm= 1.29442 3.41108e-06 -2.6236e-15 lp= 1.29442 3.41108e-06 -0.946008 r- 0.000120192 Found lorentz at 10 1.11961 lm= 1.11961 3.2716e-05 -1.87812e-16 lp= 1.11961 3.2716e-05 -0.783867 r- 0.00139122 Found lorentz at 11 1.83839 lm= 1.83839 9.78286e-05 -7.11164e-17 lp= 1.83839 9.78286e-05 -0.8341 r- 0.00390955 Found lorentz at 12 2.62162 lm= 2.62162 0.000500792 -1.67499e-17 lp= 2.62162 0.000500798 -0.915879 r- 0.0182265 Q = 7.999999999996017 n0=0.001280265084517698 n1=1.690555867920471e-07 n2=8.474602046159313e-13 n3=0.003831909418578857 n4=0.0004134708563424173 n5=1.566994380267708e-07 n6=2.431161081236056e-12 n7=0.8507654628960195 n8=0.0005282445475568811 n9=1.03064779161978e-08 n10=0.001027372331801219 n11=9.193315810883331e-05 n12=5.007867392339397e-09 n13=0.1407903846020956 n14=1.382047517633035e-05 n15=0.001256795557153997 Q is here equal to 7.999999999996017 8.) nd: 8.137791825073837 Norm of Spectral functions:  0: 1.0008  1: 1.0102  2: 0.9892  3: 0.9998  4: 0.9999  5: 1.0002  6: 1.0004  7: 1.0000  8: 1.0017  9: 1.0002 10: 1.0039 11: 1.0034 12: 0.9840 13: 1.0001 14: 1.0012 15: 1.0656  0: 2.1401  1: 5.9977 8.) SelfConsistentStep 8.) Difference between steps: 0.0009986 Missing doping : 0 : 0.00654757 1 : 0.0252707