Sig = Sigma.000 Ac = Ac.inp Delta = None cix = out.cix out = . gloc = gloc.out sig = sig.inp susc = Susc.out Ed = [-60.3225,-60.6221,0,0] 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 = -60.3225 Ed1 = -60.6221 T = 0.03 N0 = 4 N1 = 6 valence state0 = 2 5 with Energy0 = -262.055 valence state1 = 3 4 with Energy1 = -261.756 valence state2 = 4 3 with Energy2 = -261.456 valence state3 = 1 6 with Energy3 = -260.255 valence state4 = 2 5 with Energy4 = -259.955 valence state5 = 3 4 with Energy5 = -259.656 valence state6 = 4 3 with Energy6 = -259.356 valence state7 = 2 6 with Energy7 = -267.377 valence state8 = 3 5 with Energy8 = -267.078 valence state9 = 4 4 with Energy9 = -266.778 valence state10 = 2 6 with Energy10 = -265.977 valence state11 = 3 5 with Energy11 = -265.678 valence state12 = 4 4 with Energy12 = -265.378 valence state13 = 3 6 with Energy13 = -265.1 valence state14 = 4 5 with Energy14 = -264.8 valence state15 = 4 6 with Energy15 = -255.522 ***************************************** Sigma.000: Number of entries: 447 Sigma.000: Number of columns: 33 Sigma.000: Peak-position 0 1.) DeterminSpectralFunctions ; lambda = -268.4700342445842 -1.09258242678419 Found lorentz at 7 -0.02941 lm= -0.02941 2.68309e-07 -2.25744 lp= -0.02941 2.68309e-07 -0.8471 r- 0.000100794 Found lorentz at 8 0.622846 lm= 0.622846 1.20719e-06 -9.09724e-10 lp= 0.622846 1.20719e-06 -0.886407 r- 1.13052e-05 Found lorentz at 9 1.30808 lm= 1.30808 3.6303e-06 -2.45869e-15 lp= 1.30808 3.6303e-06 -0.944763 r- 0.000128085 Found lorentz at 10 1.11533 lm= 1.11533 3.38018e-05 -1.7991e-16 lp= 1.11533 3.38018e-05 -0.779827 r- 0.00144484 Found lorentz at 11 1.84094 lm= 1.84094 0.000103254 -6.64933e-17 lp= 1.84094 0.000103254 -0.828596 r- 0.00415378 Found lorentz at 12 2.63351 lm= 2.63351 0.000598349 -1.39774e-17 lp= 2.63351 0.000598357 -0.914523 r- 0.0218095 Q = 7.999999999999662 n0=0.00131255741425398 n1=1.76905360554601e-07 n2=9.058001586022668e-13 n3=0.00383019449772135 n4=0.0004251249690633244 n5=1.641798398867246e-07 n6=2.599602845526441e-12 n7=0.848148420011771 n8=0.0005470292501680516 n9=1.093489521087125e-08 n10=0.001053305165662118 n11=9.539264609743416e-05 n12=5.318184355809769e-09 n13=0.143272975602395 n14=1.451530225899523e-05 n15=0.001300127798823206 Q is here equal to 7.999999999999662 1.) nd: 8.140319528532553 Norm of Spectral functions:  0: 1.0010  1: 1.0114  2: 1.0277  3: 0.9998  4: 0.9998  5: 1.0000  6: 1.0004  7: 1.0000  8: 0.9977  9: 0.9999 10: 1.0011 11: 0.9932 12: 0.9994 13: 1.0000 14: 1.0013 15: 1.0201  0: 2.1427  1: 5.9976 1.) SelfConsistentStep 1.) Difference between steps: 0.003093 2.) DeterminSpectralFunctions ; lambda = -268.4695490326469 -1.092097214846831 Found lorentz at 7 -0.0294017 lm= -0.0294017 2.6826e-07 -2.257 lp= -0.0294017 2.6826e-07 -0.847167 r- 0.000100768 Found lorentz at 8 0.622732 lm= 0.622732 1.20754e-06 -9.10647e-10 lp= 0.622732 1.20754e-06 -0.886461 r- 1.13079e-05 Found lorentz at 9 1.30778 lm= 1.30778 3.62892e-06 -2.45976e-15 lp= 1.30778 3.62892e-06 -0.94479 r- 0.000128033 Found lorentz at 10 1.11544 lm= 1.11544 3.37967e-05 -1.79983e-16 lp= 1.11544 3.37967e-05 -0.779926 r- 0.00144444 Found lorentz at 11 1.84093 lm= 1.84093 0.000103237 -6.65183e-17 lp= 1.84093 0.000103237 -0.828682 r- 0.00415265 Found lorentz at 12 2.63327 lm= 2.63327 0.000597219 -1.40055e-17 lp= 2.63327 0.000597226 -0.914577 r- 0.021767 Q = 8.000000000003439 n0=0.00131273609086886 n1=1.767789364352789e-07 n2=9.048704831771319e-13 n3=0.003830561412036624 n4=0.0004251679169698828 n5=1.640590422239492e-07 n6=2.596839960127229e-12 n7=0.8479824366449061 n8=0.0005467763559728261 n9=1.092487982699498e-08 n10=0.001052972428591549 n11=9.533545448298108e-05 n12=5.312956164479126e-09 n13=0.1434400230968118 n14=1.45050748338518e-05 n15=0.001299128445209184 Q is here equal to 8.000000000003439 2.) nd: 8.14048397880071 Norm of Spectral functions:  0: 1.0009  1: 1.0111  2: 1.0264  3: 0.9998  4: 0.9998  5: 1.0000  6: 1.0005  7: 1.0000  8: 0.9977  9: 0.9999 10: 1.0011 11: 0.9931 12: 0.9993 13: 1.0000 14: 1.0013 15: 1.0197  0: 2.1429  1: 5.9976 2.) SelfConsistentStep 2.) Difference between steps: 0.001859 3.) DeterminSpectralFunctions ; lambda = -268.4692835778102 -1.091831760010223 Found lorentz at 7 -0.0293974 lm= -0.0293974 2.68223e-07 -2.25677 lp= -0.0293974 2.68223e-07 -0.847202 r- 0.00010075 Found lorentz at 8 0.622667 lm= 0.622667 1.20836e-06 -9.11161e-10 lp= 0.622667 1.20836e-06 -0.886488 r- 1.13151e-05 Found lorentz at 9 1.30763 lm= 1.30763 3.62901e-06 -2.45978e-15 lp= 1.30763 3.62901e-06 -0.944805 r- 0.000128034 Found lorentz at 10 1.1155 lm= 1.1155 3.37852e-05 -1.80067e-16 lp= 1.1155 3.37852e-05 -0.779975 r- 0.00144386 Found lorentz at 11 1.84091 lm= 1.84091 0.000103232 -6.6528e-17 lp= 1.84091 0.000103232 -0.828722 r- 0.00415225 Found lorentz at 12 2.63314 lm= 2.63314 0.000597025 -1.4011e-17 lp= 2.63314 0.000597033 -0.914607 r- 0.0217593 Q = 7.9999999999976 n0=0.001312742403691808 n1=1.766741683004376e-07 n2=9.040201306107564e-13 n3=0.003830482492075845 n4=0.000425159401396028 n5=1.639570788200594e-07 n6=2.594304609711087e-12 n7=0.8478951812209597 n8=0.0005467399435325642 n9=1.091622900930423e-08 n10=0.001053026337237568 n11=9.532856664134377e-05 n12=5.308503499629569e-09 n13=0.1435274317979441 n14=1.449633870858739e-05 n15=0.001299054638334566 Q is here equal to 7.9999999999976 3.) nd: 8.140571312481416 Norm of Spectral functions:  0: 1.0009  1: 1.0109  2: 1.0256  3: 0.9999  4: 0.9998  5: 1.0000  6: 1.0005  7: 1.0000  8: 0.9977  9: 0.9999 10: 1.0011 11: 0.9930 12: 0.9993 13: 1.0000 14: 1.0013 15: 1.0194  0: 2.1430  1: 5.9976 3.) SelfConsistentStep 3.) Difference between steps: 0.001164 4.) DeterminSpectralFunctions ; lambda = -268.4691371194393 -1.091685301639302 Found lorentz at 7 -0.0293951 lm= -0.0293951 2.68193e-07 -2.25664 lp= -0.0293951 2.68193e-07 -0.84722 r- 0.000100737 Found lorentz at 8 0.622631 lm= 0.622631 1.20935e-06 -9.11453e-10 lp= 0.622631 1.20935e-06 -0.8865 r- 1.13243e-05 Found lorentz at 9 1.30755 lm= 1.30755 3.62984e-06 -2.45926e-15 lp= 1.30755 3.62984e-06 -0.944815 r- 0.000128062 Found lorentz at 10 1.11553 lm= 1.11553 3.37736e-05 -1.80141e-16 lp= 1.11553 3.37736e-05 -0.780001 r- 0.00144331 Found lorentz at 11 1.8409 lm= 1.8409 0.00010324 -6.65257e-17 lp= 1.8409 0.00010324 -0.82874 r- 0.00415248 Found lorentz at 12 2.63307 lm= 2.63307 0.000597222 -1.40069e-17 lp= 2.63307 0.00059723 -0.914624 r- 0.021766 Q = 8.000000000004652 n0=0.001312693342198233 n1=1.76605239646237e-07 n2=9.032564015599101e-13 n3=0.003830278099785718 n4=0.0004251359109969562 n5=1.638901925697503e-07 n6=2.592028232214394e-12 n7=0.8478493435847173 n8=0.000546769199627806 n9=1.090879108540658e-08 n10=0.001053175110915749 n11=9.533758429854301e-05 n12=5.30470789099435e-09 n13=0.1435731401969307 n14=1.449052776867787e-05 n15=0.001299279730333824 Q is here equal to 8.000000000004652 4.) nd: 8.140617742333459 Norm of Spectral functions:  0: 1.0009  1: 1.0107  2: 1.0250  3: 0.9999  4: 0.9998  5: 1.0000  6: 1.0006  7: 1.0000  8: 0.9977  9: 0.9999 10: 1.0011 11: 0.9929 12: 0.9992 13: 1.0000 14: 1.0013 15: 1.0193  0: 2.1430  1: 5.9976 4.) SelfConsistentStep 4.) Difference between steps: 0.0007326 Missing doping : 0 : 0.00712749 1 : 0.0299135