Sig = Sigma.000 Ac = Ac.inp Delta = None cix = out.cix out = . gloc = gloc.out sig = sig.inp susc = Susc.out Ed = [-60.2804,-60.5765,0,0] 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 = -60.2804 Ed1 = -60.5765 T = 0.03 N0 = 4 N1 = 6 valence state0 = 2 5 with Energy0 = -261.743 valence state1 = 3 4 with Energy1 = -261.447 valence state2 = 4 3 with Energy2 = -261.151 valence state3 = 1 6 with Energy3 = -259.94 valence state4 = 2 5 with Energy4 = -259.643 valence state5 = 3 4 with Energy5 = -259.347 valence state6 = 4 3 with Energy6 = -259.051 valence state7 = 2 6 with Energy7 = -267.02 valence state8 = 3 5 with Energy8 = -266.724 valence state9 = 4 4 with Energy9 = -266.428 valence state10 = 2 6 with Energy10 = -265.62 valence state11 = 3 5 with Energy11 = -265.324 valence state12 = 4 4 with Energy12 = -265.028 valence state13 = 3 6 with Energy13 = -264.7 valence state14 = 4 5 with Energy14 = -264.404 valence state15 = 4 6 with Energy15 = -255.081 ***************************************** Sigma.000: Number of entries: 447 Sigma.000: Number of columns: 33 Sigma.000: Peak-position 0 1.) DeterminSpectralFunctions ; lambda = -268.1416637341078 -1.121778308507828 Found lorentz at 7 -0.0294277 lm= -0.0294277 2.53425e-07 -2.25382 lp= -0.0294277 2.53425e-07 -0.845247 r- 9.5412e-05 Found lorentz at 8 0.635009 lm= 0.635009 1.20708e-06 -8.17815e-10 lp= 0.635009 1.20708e-06 -0.886634 r- 1.13013e-05 Found lorentz at 9 1.33077 lm= 1.33077 3.44976e-06 -2.58936e-15 lp= 1.33077 3.44976e-06 -0.945128 r- 0.000121668 Found lorentz at 10 1.11313 lm= 1.11313 3.06002e-05 -1.98074e-16 lp= 1.11313 3.06002e-05 -0.778531 r- 0.00131017 Found lorentz at 11 1.85374 lm= 1.85374 9.45604e-05 -7.30004e-17 lp= 1.85374 9.45604e-05 -0.83084 r- 0.00379377 Found lorentz at 12 2.65709 lm= 2.65708 0.00053108 -1.57955e-17 lp= 2.65708 0.000531085 -0.915904 r- 0.0193283 Q = 7.999999999998478 n0=0.001291370608831732 n1=1.7512231876574e-07 n2=8.802482330948429e-13 n3=0.003884956341999087 n4=0.0004177947131971266 n5=1.630042515521185e-07 n6=2.533838560586945e-12 n7=0.8467819217255944 n8=0.0005415786013055172 n9=1.070714066647254e-08 n10=0.00105486631705791 n11=9.484971577084213e-05 n12=5.220335800925372e-09 n13=0.144590020190676 n14=1.440843215027859e-05 n15=0.001327879295956107 Q is here equal to 7.999999999998478 1.) nd: 8.141665727420726 Norm of Spectral functions:  0: 1.0013  1: 0.9975  2: 1.0140  3: 0.9997  4: 1.0000  5: 0.9998  6: 0.9999  7: 1.0000  8: 0.9984  9: 0.9996 10: 1.0008 11: 0.9998 12: 0.9964 13: 1.0001 14: 1.0014 15: 1.3889  0: 2.1440  1: 5.9976 1.) SelfConsistentStep 1.) Difference between steps: 0.02021 2.) DeterminSpectralFunctions ; lambda = -268.146608205323 -1.126722779723082 Found lorentz at 7 -0.0294252 lm= -0.0294252 2.53511e-07 -2.25213 lp= -0.0294252 2.53511e-07 -0.844682 r- 9.55081e-05 Found lorentz at 8 0.637038 lm= 0.637038 1.22829e-06 -8.02124e-10 lp= 0.637038 1.22829e-06 -0.886275 r- 1.15045e-05 Found lorentz at 9 1.3353 lm= 1.3353 3.49643e-06 -2.55459e-15 lp= 1.3353 3.49643e-06 -0.94509 r- 0.000123319 Found lorentz at 10 1.11226 lm= 1.11226 3.04605e-05 -1.98607e-16 lp= 1.11226 3.04605e-05 -0.777797 r- 0.00130542 Found lorentz at 11 1.85505 lm= 1.85505 9.49798e-05 -7.25887e-17 lp= 1.85505 9.49798e-05 -0.830329 r- 0.00381294 Found lorentz at 12 2.66137 lm= 2.66136 0.000546936 -1.5335e-17 lp= 2.66137 0.000546942 -0.915826 r- 0.0199071 Q = 8.000000000004095 n0=0.001290872510727122 n1=1.748590990988528e-07 n2=8.791102808538508e-13 n3=0.003884294482199954 n4=0.000417576503421007 n5=1.627665305814947e-07 n6=2.530749811266278e-12 n7=0.8461485188947114 n8=0.0005416505428691548 n9=1.071265315549432e-08 n10=0.001055574206191407 n11=9.479657301990315e-05 n12=5.221608474587225e-09 n13=0.1452179456622905 n14=1.445775824924873e-05 n15=0.001333959303018956 Q is here equal to 8.000000000004095 2.) nd: 8.142307240901189 Norm of Spectral functions:  0: 1.0012  1: 0.9965  2: 1.0037  3: 0.9997  4: 1.0000  5: 0.9997  6: 0.9998  7: 1.0000  8: 0.9984  9: 0.9998 10: 1.0007 11: 1.0000 12: 0.9987 13: 1.0001 14: 1.0014 15: 1.3821  0: 2.1447  1: 5.9976 2.) SelfConsistentStep 2.) Difference between steps: 0.0129 3.) DeterminSpectralFunctions ; lambda = -268.1497582451909 -1.129872819590901 Found lorentz at 7 -0.0294287 lm= -0.0294287 2.53842e-07 -2.25131 lp= -0.0294287 2.53842e-07 -0.844275 r- 9.56789e-05 Found lorentz at 8 0.638521 lm= 0.638521 1.24498e-06 -7.90725e-10 lp= 0.638521 1.24498e-06 -0.886085 r- 1.16634e-05 Found lorentz at 9 1.3383 lm= 1.3383 3.52484e-06 -2.534e-15 lp= 1.3383 3.52484e-06 -0.94509 r- 0.000124321 Found lorentz at 10 1.1116 lm= 1.1116 3.04049e-05 -1.98679e-16 lp= 1.1116 3.04049e-05 -0.777227 r- 0.00130399 Found lorentz at 11 1.85613 lm= 1.85613 9.54228e-05 -7.22059e-17 lp= 1.85613 9.54228e-05 -0.830066 r- 0.00383194 Found lorentz at 12 2.66421 lm= 2.66421 0.00055694 -1.50595e-17 lp= 2.66421 0.000556946 -0.915826 r- 0.0202712 Q = 7.999999999998348 n0=0.001290057788400799 n1=1.747094022222293e-07 n2=8.785708734334905e-13 n3=0.003882409586455598 n4=0.0004172926109318244 n5=1.626235169900117e-07 n6=2.529221965344371e-12 n7=0.8458431189639971 n8=0.0005422172001227847 n9=1.072209276822656e-08 n10=0.001057224908858072 n11=9.488861948049135e-05 n12=5.226168725835767e-09 n13=0.1455181172010851 n14=1.448964159242127e-05 n15=0.001339830194487302 Q is here equal to 7.999999999998348 3.) nd: 8.142622169909538 Norm of Spectral functions:  0: 1.0012  1: 0.9962  2: 0.9962  3: 0.9997  4: 1.0000  5: 0.9997  6: 0.9998  7: 1.0000  8: 0.9985  9: 0.9999 10: 1.0006 11: 1.0001 12: 0.9997 13: 1.0001 14: 1.0015 15: 1.3566  0: 2.1450  1: 5.9976 3.) SelfConsistentStep 3.) Difference between steps: 0.008238 4.) DeterminSpectralFunctions ; lambda = -268.1517057404912 -1.131820314891229 Found lorentz at 7 -0.0294358 lm= -0.0294358 2.54126e-07 -2.25112 lp= -0.0294358 2.54126e-07 -0.844003 r- 9.58168e-05 Found lorentz at 8 0.639537 lm= 0.639537 1.25409e-06 -7.82948e-10 lp= 0.639537 1.25409e-06 -0.885993 r- 1.17499e-05 Found lorentz at 9 1.34022 lm= 1.34022 3.53709e-06 -2.52532e-15 lp= 1.34022 3.53709e-06 -0.945107 r- 0.000124751 Found lorentz at 10 1.11115 lm= 1.11115 3.03802e-05 -1.98638e-16 lp= 1.11115 3.03802e-05 -0.77683 r- 0.0013036 Found lorentz at 11 1.85693 lm= 1.85693 9.5642e-05 -7.20196e-17 lp= 1.85693 9.5642e-05 -0.829946 r- 0.0038413 Found lorentz at 12 2.66604 lm= 2.66604 0.00056212 -1.49216e-17 lp= 2.66604 0.000562126 -0.915853 r- 0.0204591 Q = 7.999999999999564 n0=0.001289312292461237 n1=1.746909790680078e-07 n2=8.785282189239692e-13 n3=0.003880543260294118 n4=0.0004170482897165512 n5=1.626045083076403e-07 n6=2.529125220028434e-12 n7=0.8457732352864878 n8=0.0005427703415849617 n9=1.073204839276188e-08 n10=0.001058748644578822 n11=9.499946178273267e-05 n12=5.231477506293321e-09 n13=0.1455840686405634 n14=1.451559177848306e-05 n15=0.001344404928330939 Q is here equal to 7.999999999999564 4.) nd: 8.142700152947636 Norm of Spectral functions:  0: 1.0011  1: 0.9963  2: 0.9913  3: 0.9997  4: 1.0000  5: 0.9996  6: 0.9998  7: 1.0000  8: 0.9985  9: 0.9999 10: 1.0006 11: 1.0002 12: 1.0004 13: 1.0000 14: 1.0015 15: 1.3333  0: 2.1451  1: 5.9976 4.) SelfConsistentStep 4.) Difference between steps: 0.005485 5.) DeterminSpectralFunctions ; lambda = -268.1527753481679 -1.132889922567927 Found lorentz at 7 -0.0294423 lm= -0.0294423 2.54219e-07 -2.25122 lp= -0.0294423 2.54219e-07 -0.843861 r- 9.58681e-05 Found lorentz at 8 0.640133 lm= 0.640133 1.25555e-06 -7.78406e-10 lp= 0.640133 1.25555e-06 -0.88596 r- 1.1764e-05 Found lorentz at 9 1.34133 lm= 1.34133 3.53687e-06 -2.52559e-15 lp= 1.34133 3.53687e-06 -0.945129 r- 0.00012474 Found lorentz at 10 1.11091 lm= 1.11091 3.0361e-05 -1.98659e-16 lp= 1.11091 3.0361e-05 -0.776626 r- 0.00130311 Found lorentz at 11 1.85744 lm= 1.85744 9.55756e-05 -7.2065e-17 lp= 1.85744 9.55757e-05 -0.829919 r- 0.00383875 Found lorentz at 12 2.6671 lm= 2.6671 0.000563479 -1.48868e-17 lp= 2.6671 0.000563485 -0.91589 r- 0.0205078 Q = 7.99999999999233 n0=0.001288815793330162 n1=1.747517675648184e-07 n2=8.788166626796772e-13 n3=0.00387928427254477 n4=0.0004168892078023191 n5=1.626629807252053e-07 n6=2.530014860739823e-12 n7=0.8458134535867237 n8=0.0005431160612014095 n9=1.074265838345147e-08 n10=0.001059732793945237 n11=9.507398801272188e-05 n12=5.237215676023897e-09 n13=0.145541378620523 n14=1.453777694015578e-05 n15=0.001347364500945229 Q is here equal to 7.99999999999233 5.) nd: 8.142665318707518 Norm of Spectral functions:  0: 1.0011  1: 0.9964  2: 0.9881  3: 0.9997  4: 1.0000  5: 0.9996  6: 0.9998  7: 1.0000  8: 0.9985  9: 0.9999 10: 1.0006 11: 1.0003 12: 1.0007 13: 1.0000 14: 1.0015 15: 1.3179  0: 2.1450  1: 5.9976 5.) SelfConsistentStep 5.) Difference between steps: 0.003705 6.) DeterminSpectralFunctions ; lambda = -268.153248580305 -1.13336315470508 Found lorentz at 7 -0.0294462 lm= -0.0294462 2.54132e-07 -2.2514 lp= -0.0294462 2.54132e-07 -0.843819 r- 9.58397e-05 Found lorentz at 8 0.640406 lm= 0.640406 1.25146e-06 -7.76345e-10 lp= 0.640406 1.25146e-06 -0.885962 r- 1.17257e-05 Found lorentz at 9 1.34186 lm= 1.34186 3.52898e-06 -2.53136e-15 lp= 1.34186 3.52898e-06 -0.945151 r- 0.000124459 Found lorentz at 10 1.11085 lm= 1.11085 3.034e-05 -1.98772e-16 lp= 1.11085 3.034e-05 -0.77658 r- 0.00130229 Found lorentz at 11 1.85771 lm= 1.85771 9.5291e-05 -7.22852e-17 lp= 1.85771 9.5291e-05 -0.829947 r- 0.00382719 Found lorentz at 12 2.66763 lm= 2.66763 0.000562354 -1.49178e-17 lp= 2.66763 0.00056236 -0.915927 r- 0.020466 Q = 8.000000000009216 n0=0.001288571951604776 n1=1.748344358750736e-07 n2=8.793333654138329e-13 n3=0.003878685307198738 n4=0.0004168109028960152 n5=1.627434646989074e-07 n6=2.531586989007376e-12 n7=0.8458809897536601 n8=0.0005432589990529902 n9=1.075377217068308e-08 n10=0.001060198194766296 n11=9.510590375223585e-05 n12=5.243158897213486e-09 n13=0.1454725005775127 n14=1.455538222810931e-05 n15=0.001348969449085446 Q is here equal to 8.000000000009216 6.) nd: 8.142600589114902 Norm of Spectral functions:  0: 1.0011  1: 0.9966  2: 0.9862  3: 0.9997  4: 1.0000  5: 0.9996  6: 0.9998  7: 1.0000  8: 0.9985  9: 0.9999 10: 1.0005 11: 1.0003 12: 1.0009 13: 1.0000 14: 1.0015 15: 1.3098  0: 2.1450  1: 5.9976 6.) SelfConsistentStep 6.) Difference between steps: 0.002652 7.) DeterminSpectralFunctions ; lambda = -268.153367239303 -1.133481813702986 Found lorentz at 7 -0.0294475 lm= -0.0294475 2.53939e-07 -2.25155 lp= -0.0294475 2.53939e-07 -0.843839 r- 9.57648e-05 Found lorentz at 8 0.64047 lm= 0.64047 1.24453e-06 -7.75875e-10 lp= 0.64047 1.24453e-06 -0.88598 r- 1.16606e-05 Found lorentz at 9 1.34204 lm= 1.34204 3.51781e-06 -2.5395e-15 lp= 1.34204 3.51781e-06 -0.945171 r- 0.000124062 Found lorentz at 10 1.11089 lm= 1.11089 3.03182e-05 -1.98942e-16 lp= 1.11089 3.03182e-05 -0.776631 r- 0.00130127 Found lorentz at 11 1.85781 lm= 1.85781 9.48997e-05 -7.25922e-17 lp= 1.85781 9.48998e-05 -0.829999 r- 0.00381124 Found lorentz at 12 2.66783 lm= 2.66783 0.000560034 -1.49806e-17 lp= 2.66783 0.00056004 -0.915958 r- 0.0203809 Q = 7.999999999997052 n0=0.001288506883329851 n1=1.749040075352973e-07 n2=8.800045808325456e-13 n3=0.003878560632606301 n4=0.0004167881560025883 n5=1.628111988242716e-07 n6=2.533614875604542e-12 n7=0.8459376697829691 n8=0.0005432731885480183 n9=1.076451798512938e-08 n10=0.001060322100774089 n11=9.510847154430358e-05 n12=5.248833548608996e-09 n13=0.1454151766563269 n14=1.456787637850098e-05 n15=0.001349672519548669 Q is here equal to 7.999999999997052 7.) nd: 8.142544896181242 Norm of Spectral functions:  0: 1.0011  1: 0.9967  2: 0.9850  3: 0.9997  4: 1.0000  5: 0.9996  6: 0.9998  7: 1.0000  8: 0.9986  9: 0.9999 10: 1.0005 11: 1.0003 12: 1.0010 13: 1.0000 14: 1.0015 15: 1.3065  0: 2.1449  1: 5.9976 7.) SelfConsistentStep 7.) Difference between steps: 0.001883 8.) DeterminSpectralFunctions ; lambda = -268.1533110055389 -1.133425579938944 Found lorentz at 7 -0.0294471 lm= -0.0294471 2.53718e-07 -2.25165 lp= -0.0294471 2.53718e-07 -0.843886 r- 9.5676e-05 Found lorentz at 8 0.640425 lm= 0.640425 1.23701e-06 -7.76233e-10 lp= 0.640425 1.23701e-06 -0.886001 r- 1.15898e-05 Found lorentz at 9 1.34203 lm= 1.34203 3.50652e-06 -2.54776e-15 lp= 1.34203 3.50652e-06 -0.945186 r- 0.000123662 Found lorentz at 10 1.11098 lm= 1.11098 3.02982e-05 -1.99121e-16 lp= 1.11098 3.02982e-05 -0.776725 r- 0.00130026 Found lorentz at 11 1.85782 lm= 1.85782 9.44997e-05 -7.29089e-17 lp= 1.85782 9.44998e-05 -0.830053 r- 0.00379493 Found lorentz at 12 2.66785 lm= 2.66784 0.000557473 -1.50502e-17 lp= 2.66785 0.000557479 -0.915981 r- 0.0202872 Q = 8.000000000004199 n0=0.001288538453347399 n1=1.749485160546404e-07 n2=8.807541644080185e-13 n3=0.003878690402891345 n4=0.0004167949801914878 n5=1.628539833458317e-07 n6=2.535867834925927e-12 n7=0.845973466554505 n8=0.0005432307115760418 n9=1.077391362364985e-08 n10=0.001060279343570098 n11=9.509703913923931e-05 n12=5.253753608976076e-09 n13=0.14537909267319 n14=1.457572282484198e-05 n15=0.001349880285181197 Q is here equal to 8.000000000004199 8.) nd: 8.142509067324031 Norm of Spectral functions:  0: 1.0011  1: 0.9967  2: 0.9844  3: 0.9997  4: 1.0000  5: 0.9996  6: 0.9998  7: 1.0000  8: 0.9986  9: 0.9999 10: 1.0006 11: 1.0003 12: 1.0010 13: 1.0000 14: 1.0015 15: 1.3057  0: 2.1449  1: 5.9976 8.) SelfConsistentStep 8.) Difference between steps: 0.001295 9.) DeterminSpectralFunctions ; lambda = -268.1531936206312 -1.133308195031248 Found lorentz at 7 -0.0294458 lm= -0.0294458 2.53518e-07 -2.2517 lp= -0.0294458 2.53518e-07 -0.843938 r- 9.55947e-05 Found lorentz at 8 0.64034 lm= 0.64034 1.23031e-06 -7.76897e-10 lp= 0.64034 1.23031e-06 -0.88602 r- 1.15268e-05 Found lorentz at 9 1.34195 lm= 1.34195 3.49687e-06 -2.55485e-15 lp= 1.34195 3.49687e-06 -0.945197 r- 0.000123321 Found lorentz at 10 1.11108 lm= 1.11108 3.0282e-05 -1.99278e-16 lp= 1.11108 3.0282e-05 -0.776824 r- 0.0012994 Found lorentz at 11 1.85778 lm= 1.85778 9.41524e-05 -7.31859e-17 lp= 1.85778 9.41525e-05 -0.830098 r- 0.00378078 Found lorentz at 12 2.66779 lm= 2.66779 0.00055522 -1.51118e-17 lp= 2.66779 0.000555225 -0.915997 r- 0.0202048 Q = 7.999999999990859 n0=0.001288605947290855 n1=1.749700533784402e-07 n2=8.815037454681364e-13 n3=0.003878909638962285 n4=0.0004168127633625923 n5=1.62873728805654e-07 n6=2.53811308002752e-12 n7=0.8459912252721569 n8=0.000543177941154025 n9=1.078134944857392e-08 n10=0.00106018679127529 n11=9.508234369356818e-05 n12=5.257630699077691e-09 n13=0.1453611949783526 n14=1.458002040685735e-05 n15=0.001349870417162955 Q is here equal to 7.999999999990859 9.) nd: 8.142490849636268 Norm of Spectral functions:  0: 1.0011  1: 0.9968  2: 0.9840  3: 0.9997  4: 1.0000  5: 0.9996  6: 0.9998  7: 1.0000  8: 0.9985  9: 0.9999 10: 1.0006 11: 1.0003 12: 1.0010 13: 1.0000 14: 1.0015 15: 1.3060  0: 2.1448  1: 5.9976 9.) SelfConsistentStep 9.) Difference between steps: 0.0008549 Missing doping : 0 : 0.0075108 1 : 0.0248817