Sig = Sigma.000 Ac = Ac.inp Delta = None cix = out.cix out = . gloc = gloc.out sig = sig.inp susc = Susc.out Ed = [-60.3205,-60.6201,0,0] 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 = -60.3205 Ed1 = -60.6201 T = 0.03 N0 = 4 N1 = 6 valence state0 = 2 5 with Energy0 = -262.041 valence state1 = 3 4 with Energy1 = -261.742 valence state2 = 4 3 with Energy2 = -261.442 valence state3 = 1 6 with Energy3 = -260.241 valence state4 = 2 5 with Energy4 = -259.941 valence state5 = 3 4 with Energy5 = -259.642 valence state6 = 4 3 with Energy6 = -259.342 valence state7 = 2 6 with Energy7 = -267.361 valence state8 = 3 5 with Energy8 = -267.062 valence state9 = 4 4 with Energy9 = -266.762 valence state10 = 2 6 with Energy10 = -265.961 valence state11 = 3 5 with Energy11 = -265.662 valence state12 = 4 4 with Energy12 = -265.362 valence state13 = 3 6 with Energy13 = -265.082 valence state14 = 4 5 with Energy14 = -264.782 valence state15 = 4 6 with Energy15 = -255.502 ***************************************** Sigma.000: Number of entries: 447 Sigma.000: Number of columns: 33 Sigma.000: Peak-position 0 1.) DeterminSpectralFunctions ; lambda = -268.4760780635504 -1.114596755150387 Found lorentz at 7 -0.0294088 lm= -0.0294088 2.65417e-07 -2.2524 lp= -0.0294088 2.65417e-07 -0.845242 r- 9.9927e-05 Found lorentz at 8 0.630575 lm= 0.630575 1.23653e-06 -8.50115e-10 lp= 0.630575 1.23653e-06 -0.885284 r- 1.15947e-05 Found lorentz at 9 1.32535 lm= 1.32535 3.6636e-06 -2.43437e-15 lp= 1.32535 3.6636e-06 -0.944381 r- 0.000129312 Found lorentz at 10 1.11275 lm= 1.11275 3.33031e-05 -1.81696e-16 lp= 1.11275 3.33031e-05 -0.777883 r- 0.00142708 Found lorentz at 11 1.84659 lm= 1.84659 0.00010304 -6.64807e-17 lp= 1.84659 0.00010304 -0.827656 r- 0.00414986 Found lorentz at 12 2.64861 lm= 2.6486 0.00058134 -1.43603e-17 lp= 2.6486 0.000581347 -0.913693 r- 0.0212088 Q = 7.999999999998746 n0=0.001309420967250725 n1=1.768676546223365e-07 n2=9.069557154412573e-13 n3=0.003828365180817821 n4=0.0004246484860294037 n5=1.64402271218634e-07 n6=2.607277806184177e-12 n7=0.8462619576278535 n8=0.0005492212128738728 n9=1.101970589135162e-08 n10=0.001059177117860648 n11=9.585559030962168e-05 n12=5.367288821990992e-09 n13=0.1451160845056668 n14=1.4767619704661e-05 n15=0.001340144031198106 Q is here equal to 7.999999999998746 1.) nd: 8.142248364280231 Norm of Spectral functions:  0: 1.0012  1: 0.9969  2: 1.0093  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: 1.0165 13: 1.0001 14: 1.0014 15: 1.0677  0: 2.1446  1: 5.9976 1.) SelfConsistentStep 1.) Difference between steps: 0.01781 2.) DeterminSpectralFunctions ; lambda = -268.4730098100975 -1.111528501697478 Found lorentz at 7 -0.0294074 lm= -0.0294074 2.65798e-07 -2.25297 lp= -0.0294074 2.65798e-07 -0.845494 r- 0.000100041 Found lorentz at 8 0.629655 lm= 0.629655 1.22682e-06 -8.57253e-10 lp= 0.629655 1.22682e-06 -0.885475 r- 1.15012e-05 Found lorentz at 9 1.32321 lm= 1.32321 3.64787e-06 -2.44535e-15 lp= 1.32321 3.64787e-06 -0.944475 r- 0.000128744 Found lorentz at 10 1.11309 lm= 1.11309 3.34071e-05 -1.81248e-16 lp= 1.11309 3.34071e-05 -0.778138 r- 0.00143107 Found lorentz at 11 1.846 lm= 1.846 0.000102869 -6.66221e-17 lp= 1.846 0.00010287 -0.827852 r- 0.00414203 Found lorentz at 12 2.64667 lm= 2.64666 0.000577841 -1.4451e-17 lp= 2.64666 0.000577848 -0.91381 r- 0.0210784 Q = 8.000000000002586 n0=0.001310001707987503 n1=1.768577504682652e-07 n2=9.068862059912829e-13 n3=0.003826033184304389 n4=0.0004247781155136821 n5=1.643813731392678e-07 n6=2.60693618947958e-12 n7=0.8464755093587553 n8=0.0005491963330466625 n9=1.101216777997984e-08 n10=0.001058975298514346 n11=9.590180329566836e-05 n12=5.364528318853681e-09 n13=0.1449077060661804 n14=1.473299094440211e-05 n15=0.001336807522124139 Q is here equal to 8.000000000002586 2.) nd: 8.142034899850929 Norm of Spectral functions:  0: 1.0012  1: 0.9985  2: 1.0150  3: 0.9997  4: 0.9999  5: 0.9998  6: 0.9994  7: 1.0000  8: 0.9981  9: 1.0002 10: 1.0008 11: 0.9985 12: 1.0088 13: 1.0000 14: 1.0014 15: 1.0592  0: 2.1444  1: 5.9976 2.) SelfConsistentStep 2.) Difference between steps: 0.0117 3.) DeterminSpectralFunctions ; lambda = -268.4713241284517 -1.109842820051654 Found lorentz at 7 -0.0294086 lm= -0.0294086 2.66121e-07 -2.25336 lp= -0.0294086 2.66121e-07 -0.845608 r- 0.000100149 Found lorentz at 8 0.629135 lm= 0.629135 1.22228e-06 -8.61271e-10 lp= 0.629135 1.22228e-06 -0.885557 r- 1.14576e-05 Found lorentz at 9 1.32198 lm= 1.32198 3.64184e-06 -2.4496e-15 lp= 1.32198 3.64184e-06 -0.944514 r- 0.000128526 Found lorentz at 10 1.11323 lm= 1.11323 3.34616e-05 -1.80996e-16 lp= 1.11323 3.34616e-05 -0.77823 r- 0.00143324 Found lorentz at 11 1.84561 lm= 1.84561 0.000102838 -6.66507e-17 lp= 1.84561 0.000102838 -0.827904 r- 0.00414051 Found lorentz at 12 2.64557 lm= 2.64557 0.000578336 -1.44401e-17 lp= 2.64557 0.000578342 -0.91386 r- 0.0210953 Q = 7.999999999995205 n0=0.001310484765467229 n1=1.768757664729761e-07 n2=9.067301851146315e-13 n3=0.003824989609621545 n4=0.0004248970746140156 n5=1.643884208553552e-07 n6=2.606395565720291e-12 n7=0.8466217747149806 n8=0.0005491459348049728 n9=1.100319323944259e-08 n10=0.001058596927776717 n11=9.590552765485371e-05 n12=5.360165889128475e-09 n13=0.1447649545990921 n14=1.471347442484664e-05 n15=0.001334179740503701 Q is here equal to 7.999999999995205 3.) nd: 8.14188731483712 Norm of Spectral functions:  0: 1.0012  1: 0.9997  2: 1.0186  3: 0.9997  4: 0.9999  5: 0.9998  6: 0.9994  7: 1.0000  8: 0.9981  9: 1.0001 10: 1.0008 11: 0.9984 12: 1.0066 13: 1.0000 14: 1.0014 15: 1.0546  0: 2.1443  1: 5.9976 3.) SelfConsistentStep 3.) Difference between steps: 0.007597 4.) DeterminSpectralFunctions ; lambda = -268.4703616362179 -1.108880327817872 Found lorentz at 7 -0.0294098 lm= -0.0294098 2.66348e-07 -2.25361 lp= -0.0294098 2.66348e-07 -0.845667 r- 0.000100227 Found lorentz at 8 0.628817 lm= 0.628817 1.22122e-06 -8.63706e-10 lp= 0.628817 1.22122e-06 -0.885592 r- 1.14472e-05 Found lorentz at 9 1.32123 lm= 1.32123 3.64148e-06 -2.44992e-15 lp= 1.32123 3.64148e-06 -0.944528 r- 0.000128512 Found lorentz at 10 1.1133 lm= 1.1133 3.34907e-05 -1.80857e-16 lp= 1.1133 3.34907e-05 -0.77827 r- 0.00143441 Found lorentz at 11 1.84535 lm= 1.84535 0.000102914 -6.66019e-17 lp= 1.84535 0.000102914 -0.827907 r- 0.00414356 Found lorentz at 12 2.64493 lm= 2.64493 0.000580194 -1.43947e-17 lp= 2.64493 0.000580201 -0.913885 r- 0.0211625 Q = 7.999999999995075 n0=0.001310877076590226 n1=1.769061333499906e-07 n2=9.064782673611949e-13 n3=0.003824634351150261 n4=0.000424999510938344 n5=1.644078423552602e-07 n6=2.605565246277069e-12 n7=0.8467155997318396 n8=0.0005490892936528954 n9=1.099649088901181e-08 n10=0.001058193393211172 n11=9.58902708628728e-05 n12=5.356522849803429e-09 n13=0.1446734905370995 n14=1.470282824745196e-05 n15=0.001332165335905968 Q is here equal to 7.999999999995075 4.) nd: 8.141791671780993 Norm of Spectral functions:  0: 1.0012  1: 1.0006  2: 1.0209  3: 0.9997  4: 0.9999  5: 0.9998  6: 0.9993  7: 1.0000  8: 0.9981  9: 1.0001 10: 1.0008 11: 0.9984 12: 1.0057 13: 1.0000 14: 1.0014 15: 1.0520  0: 2.1442  1: 5.9976 4.) SelfConsistentStep 4.) Difference between steps: 0.004885 5.) DeterminSpectralFunctions ; lambda = -268.4697919511262 -1.108310642726224 Found lorentz at 7 -0.0294106 lm= -0.0294106 2.66493e-07 -2.25376 lp= -0.0294106 2.66493e-07 -0.845702 r- 0.000100278 Found lorentz at 8 0.628612 lm= 0.628612 1.22212e-06 -8.65273e-10 lp= 0.628612 1.22212e-06 -0.885606 r- 1.14554e-05 Found lorentz at 9 1.32075 lm= 1.32075 3.64396e-06 -2.44827e-15 lp= 1.32075 3.64396e-06 -0.944532 r- 0.000128598 Found lorentz at 10 1.11334 lm= 1.11334 3.35067e-05 -1.80783e-16 lp= 1.11334 3.35067e-05 -0.778295 r- 0.00143505 Found lorentz at 11 1.84518 lm= 1.84518 0.000103047 -6.65146e-17 lp= 1.84518 0.000103047 -0.827896 r- 0.00414894 Found lorentz at 12 2.64454 lm= 2.64454 0.000582288 -1.43434e-17 lp= 2.64454 0.000582295 -0.913901 r- 0.0212385 Q = 8.000000000003936 n0=0.001311183561750159 n1=1.76938395441065e-07 n2=9.062379584754119e-13 n3=0.003824608687458769 n4=0.0004250822671206161 n5=1.644283262261454e-07 n6=2.604738171950421e-12 n7=0.8467734383489901 n8=0.000549041867999463 n9=1.099281454623484e-08 n10=0.001057843425696612 n11=9.586989024990686e-05 n12=5.354226607287526e-09 n13=0.1446172030967872 n14=1.469714367295377e-05 n15=0.001330673993000565 Q is here equal to 8.000000000003936 5.) nd: 8.141732032339901 Norm of Spectral functions:  0: 1.0012  1: 1.0012  2: 1.0223  3: 0.9997  4: 0.9999  5: 0.9999  6: 0.9993  7: 1.0000  8: 0.9981  9: 1.0001 10: 1.0008 11: 0.9983 12: 1.0053 13: 1.0000 14: 1.0014 15: 1.0506  0: 2.1441  1: 5.9976 5.) SelfConsistentStep 5.) Difference between steps: 0.003121 6.) DeterminSpectralFunctions ; lambda = -268.4694442518704 -1.107962943470397 Found lorentz at 7 -0.029411 lm= -0.029411 2.66582e-07 -2.25386 lp= -0.029411 2.66582e-07 -0.845727 r- 0.000100308 Found lorentz at 8 0.628474 lm= 0.628474 1.22393e-06 -8.66325e-10 lp= 0.628474 1.22393e-06 -0.885612 r- 1.14723e-05 Found lorentz at 9 1.32044 lm= 1.32044 3.64755e-06 -2.44586e-15 lp= 1.32044 3.64755e-06 -0.944532 r- 0.000128725 Found lorentz at 10 1.11338 lm= 1.11338 3.35158e-05 -1.80743e-16 lp= 1.11338 3.35158e-05 -0.778317 r- 0.0014354 Found lorentz at 11 1.84505 lm= 1.84505 0.000103197 -6.64157e-17 lp= 1.84505 0.000103197 -0.827884 r- 0.00415506 Found lorentz at 12 2.6443 lm= 2.64429 0.000584178 -1.42974e-17 lp= 2.64429 0.000584185 -0.913913 r- 0.0213072 Q = 8.000000000001767 n0=0.001311414510959326 n1=1.769678073730952e-07 n2=9.060945002980753e-13 n3=0.003824716657615313 n4=0.0004251458068969944 n5=1.644455768661633e-07 n6=2.604167548830239e-12 n7=0.8468082363491755 n8=0.0005490091715401819 n9=1.099165817493994e-08 n10=0.001057572488028558 n11=9.585097006551628e-05 n12=5.353151642030109e-09 n13=0.1445833971081387 n14=1.469418789069549e-05 n15=0.001329604987984864 Q is here equal to 8.000000000001767 6.) nd: 8.141695682879632 Norm of Spectral functions:  0: 1.0012  1: 1.0016  2: 1.0232  3: 0.9997  4: 0.9999  5: 0.9999  6: 0.9993  7: 1.0000  8: 0.9981  9: 1.0001 10: 1.0008 11: 0.9983 12: 1.0050 13: 1.0000 14: 1.0014 15: 1.0497  0: 2.1441  1: 5.9976 6.) SelfConsistentStep 6.) Difference between steps: 0.00199 7.) DeterminSpectralFunctions ; lambda = -268.4692267583959 -1.107745449995889 Found lorentz at 7 -0.0294111 lm= -0.0294111 2.66634e-07 -2.25391 lp= -0.0294111 2.66634e-07 -0.845745 r- 0.000100326 Found lorentz at 8 0.628379 lm= 0.628379 1.226e-06 -8.67048e-10 lp= 0.628379 1.226e-06 -0.885614 r- 1.14917e-05 Found lorentz at 9 1.32023 lm= 1.32023 3.65132e-06 -2.44333e-15 lp= 1.32023 3.65132e-06 -0.94453 r- 0.000128858 Found lorentz at 10 1.1134 lm= 1.1134 3.35215e-05 -1.80722e-16 lp= 1.1134 3.35215e-05 -0.778336 r- 0.0014356 Found lorentz at 11 1.84496 lm= 1.84496 0.000103343 -6.63203e-17 lp= 1.84496 0.000103343 -0.827874 r- 0.00416099 Found lorentz at 12 2.64414 lm= 2.64414 0.000585733 -1.42597e-17 lp= 2.64414 0.000585741 -0.913922 r- 0.0213637 Q = 8.000000000001576 n0=0.001311583477887702 n1=1.769929183581315e-07 n2=9.060797178748074e-13 n3=0.003824860446730491 n4=0.0004251927458072976 n5=1.644589722761827e-07 n6=2.603958642469146e-12 n7=0.8468288588329385 n8=0.0005489902757273262 n9=1.099219678713512e-08 n10=0.001057377563260595 n11=9.583581892266893e-05 n12=5.352948226157995e-09 n13=0.1445633910756509 n14=1.469273242369176e-05 n15=0.001328859230105092 Q is here equal to 8.000000000001576 7.) nd: 8.141673824142458 Norm of Spectral functions:  0: 1.0013  1: 1.0019  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: 0.9983 12: 1.0048 13: 1.0000 14: 1.0014 15: 1.0491  0: 2.1441  1: 5.9976 7.) SelfConsistentStep 7.) Difference between steps: 0.001271 8.) DeterminSpectralFunctions ; lambda = -268.4690881356383 -1.107606827238271 Found lorentz at 7 -0.029411 lm= -0.029411 2.66664e-07 -2.25395 lp= -0.029411 2.66664e-07 -0.845759 r- 0.000100335 Found lorentz at 8 0.628312 lm= 0.628312 1.22801e-06 -8.67551e-10 lp= 0.628312 1.22801e-06 -0.885615 r- 1.15105e-05 Found lorentz at 9 1.32009 lm= 1.32009 3.65477e-06 -2.44101e-15 lp= 1.32009 3.65477e-06 -0.944528 r- 0.000128981 Found lorentz at 10 1.11342 lm= 1.11342 3.35252e-05 -1.8071e-16 lp= 1.11342 3.35252e-05 -0.778353 r- 0.00143573 Found lorentz at 11 1.8449 lm= 1.8449 0.000103473 -6.62358e-17 lp= 1.8449 0.000103473 -0.827867 r- 0.00416626 Found lorentz at 12 2.64404 lm= 2.64404 0.000586952 -1.42304e-17 lp= 2.64404 0.000586959 -0.91393 r- 0.0214079 Q = 7.999999999997494 n0=0.0013117041819778 n1=1.770137345298531e-07 n2=9.061838843458203e-13 n3=0.003824996613521697 n4=0.000425226415139166 n5=1.644691803441385e-07 n6=2.604095496069196e-12 n7=0.8468409656847753 n8=0.0005489817233013319 n9=1.099368837334513e-08 n10=0.001057244474913408 n11=9.582464893966272e-05 n12=5.353273854394555e-09 n13=0.1445516559903245 n14=1.4692103945641e-05 n15=0.001328350329774074 Q is here equal to 7.999999999997494 8.) nd: 8.141660780056755 Norm of Spectral functions:  0: 1.0013  1: 1.0021  2: 1.0242  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: 1.0488  0: 2.1441  1: 5.9976 8.) SelfConsistentStep 8.) Difference between steps: 0.0008197 Missing doping : 0 : 0.00724712 1 : 0.027469