Sig = Sigma.000 Ac = Ac.inp Delta = None cix = out.cix out = . gloc = gloc.out sig = sig.inp susc = Susc.out Ed = [-60.3249,-60.6245,0,0] 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 = -60.3249 Ed1 = -60.6245 T = 0.03 N0 = 4 N1 = 6 valence state0 = 2 5 with Energy0 = -262.073 valence state1 = 3 4 with Energy1 = -261.773 valence state2 = 4 3 with Energy2 = -261.473 valence state3 = 1 6 with Energy3 = -260.272 valence state4 = 2 5 with Energy4 = -259.973 valence state5 = 3 4 with Energy5 = -259.673 valence state6 = 4 3 with Energy6 = -259.373 valence state7 = 2 6 with Energy7 = -267.397 valence state8 = 3 5 with Energy8 = -267.097 valence state9 = 4 4 with Energy9 = -266.798 valence state10 = 2 6 with Energy10 = -265.997 valence state11 = 3 5 with Energy11 = -265.697 valence state12 = 4 4 with Energy12 = -265.398 valence state13 = 3 6 with Energy13 = -265.122 valence state14 = 4 5 with Energy14 = -264.822 valence state15 = 4 6 with Energy15 = -255.547 ***************************************** Sigma.000: Number of entries: 447 Sigma.000: Number of columns: 33 Sigma.000: Peak-position 0 1.) DeterminSpectralFunctions ; lambda = -268.4919243973104 -1.094897220710322 Found lorentz at 7 -0.0294058 lm= -0.0294058 2.68199e-07 -2.25656 lp= -0.0294058 2.68199e-07 -0.846887 r- 0.000100778 Found lorentz at 8 0.623108 lm= 0.623108 1.20399e-06 -9.07527e-10 lp= 0.623108 1.20399e-06 -0.8862 r- 1.12779e-05 Found lorentz at 9 1.30839 lm= 1.30839 3.61461e-06 -2.4681e-15 lp= 1.30839 3.61461e-06 -0.944523 r- 0.000127564 Found lorentz at 10 1.11503 lm= 1.11503 3.38884e-05 -1.79341e-16 lp= 1.11503 3.38884e-05 -0.77959 r- 0.00144899 Found lorentz at 11 1.84088 lm= 1.84088 0.000103406 -6.63579e-17 lp= 1.84088 0.000103407 -0.828362 r- 0.00416108 Found lorentz at 12 2.63327 lm= 2.63327 0.000581341 -1.4371e-17 lp= 2.63327 0.000581349 -0.914035 r- 0.0212009 Q = 8.000000000001316 n0=0.001313953415192545 n1=1.769735701279994e-07 n2=9.045204681605352e-13 n3=0.003824389404328571 n4=0.000425760352094605 n5=1.643438562654989e-07 n6=2.597666335058571e-12 n7=0.8478164758335514 n8=0.0005475204496015919 n9=1.093176156067209e-08 n10=0.001052607226710717 n11=9.553648832114829e-05 n12=5.320050713914737e-09 n13=0.1436035835280674 n14=1.453945807364943e-05 n15=0.001305276271317639 Q is here equal to 8.000000000001316 1.) nd: 8.140664231036233 Norm of Spectral functions:  0: 1.0012  1: 1.0105  2: 1.0328  3: 0.9997  4: 0.9999  5: 1.0000  6: 0.9995  7: 1.0000  8: 0.9978  9: 0.9999 10: 1.0010 11: 0.9927 12: 0.9993 13: 1.0000 14: 1.0012 15: 1.0173  0: 2.1431  1: 5.9976 1.) SelfConsistentStep 1.) Difference between steps: 0.008077 2.) DeterminSpectralFunctions ; lambda = -268.4905466931718 -1.093519516571746 Found lorentz at 7 -0.0294026 lm= -0.0294026 2.68381e-07 -2.25664 lp= -0.0294026 2.68381e-07 -0.847007 r- 0.000100833 Found lorentz at 8 0.622645 lm= 0.622645 1.20205e-06 -9.11117e-10 lp= 0.622645 1.20205e-06 -0.886281 r- 1.12587e-05 Found lorentz at 9 1.30736 lm= 1.30736 3.61104e-06 -2.47072e-15 lp= 1.30736 3.61104e-06 -0.944557 r- 0.000127433 Found lorentz at 10 1.11521 lm= 1.11521 3.39263e-05 -1.79201e-16 lp= 1.11521 3.39263e-05 -0.779721 r- 0.00145036 Found lorentz at 11 1.84057 lm= 1.84057 0.000103396 -6.63782e-17 lp= 1.84057 0.000103396 -0.828448 r- 0.00416024 Found lorentz at 12 2.63236 lm= 2.63236 0.000580686 -1.43891e-17 lp= 2.63236 0.000580693 -0.914096 r- 0.0211756 Q = 7.999999999996346 n0=0.001314702162284966 n1=1.769764421272611e-07 n2=9.044273457742542e-13 n3=0.003825773663460536 n4=0.0004259492362824541 n5=1.643313230231031e-07 n6=2.5971290301858e-12 n7=0.8478454822411278 n8=0.0005475844297034274 n9=1.09279840234993e-08 n10=0.001052759518487252 n11=9.556610074266646e-05 n12=5.31822503231034e-09 n13=0.1435737410690857 n14=1.452216553305573e-05 n15=0.001303561855816257 Q is here equal to 7.999999999996346 2.) nd: 8.140628620572956 Norm of Spectral functions:  0: 1.0012  1: 1.0117  2: 1.0332  3: 0.9997  4: 0.9999  5: 1.0000  6: 0.9996  7: 1.0000  8: 0.9977  9: 0.9999 10: 1.0011 11: 0.9895 12: 0.9989 13: 1.0000 14: 1.0012 15: 1.0165  0: 2.1430  1: 5.9976 2.) SelfConsistentStep 2.) Difference between steps: 0.005227 3.) DeterminSpectralFunctions ; lambda = -268.4897673604463 -1.092740183846217 Found lorentz at 7 -0.029401 lm= -0.029401 2.68515e-07 -2.25669 lp= -0.029401 2.68515e-07 -0.847069 r- 0.000100875 Found lorentz at 8 0.622363 lm= 0.622363 1.20169e-06 -9.13292e-10 lp= 0.622363 1.20169e-06 -0.886315 r- 1.12549e-05 Found lorentz at 9 1.30673 lm= 1.30673 3.61091e-06 -2.47087e-15 lp= 1.30673 3.61091e-06 -0.944568 r- 0.000127427 Found lorentz at 10 1.11529 lm= 1.11529 3.39429e-05 -1.79142e-16 lp= 1.11529 3.39429e-05 -0.779783 r- 0.00145096 Found lorentz at 11 1.84035 lm= 1.84035 0.000103413 -6.63712e-17 lp= 1.84035 0.000103413 -0.828471 r- 0.0041608 Found lorentz at 12 2.63181 lm= 2.63181 0.00058201 -1.43574e-17 lp= 2.63181 0.000582018 -0.914128 r- 0.0212231 Q = 8.000000000001332 n0=0.00131517345380102 n1=1.770053487446954e-07 n2=9.043856295444228e-13 n3=0.003826652384596872 n4=0.000426040327681824 n5=1.643498266809226e-07 n6=2.596815824354851e-12 n7=0.8478641570034723 n8=0.0005476760838818759 n9=1.092415590310162e-08 n10=0.00105289718085707 n11=9.558392233932514e-05 n12=5.316012873228487e-09 n13=0.1435545021071226 n14=1.451365340641502e-05 n15=0.001302446283995422 Q is here equal to 8.000000000001332 3.) nd: 8.140605700803764 Norm of Spectral functions:  0: 1.0012  1: 1.0124  2: 1.0331  3: 0.9997  4: 0.9998  5: 1.0000  6: 0.9997  7: 1.0000  8: 0.9977  9: 0.9998 10: 1.0011 11: 0.9852 12: 0.9987 13: 1.0000 14: 1.0012 15: 1.0161  0: 2.1430  1: 5.9976 3.) SelfConsistentStep 3.) Difference between steps: 0.003446 4.) DeterminSpectralFunctions ; lambda = -268.4893235361421 -1.092296359542104 Found lorentz at 7 -0.0294003 lm= -0.0294003 2.6861e-07 -2.25672 lp= -0.0294003 2.6861e-07 -0.847102 r- 0.000100907 Found lorentz at 8 0.622191 lm= 0.622191 1.2026e-06 -9.14608e-10 lp= 0.622191 1.2026e-06 -0.886328 r- 1.12632e-05 Found lorentz at 9 1.30635 lm= 1.30635 3.61284e-06 -2.46956e-15 lp= 1.30635 3.61284e-06 -0.94457 r- 0.000127495 Found lorentz at 10 1.11534 lm= 1.11534 3.39502e-05 -1.79118e-16 lp= 1.11534 3.39502e-05 -0.779812 r- 0.00145121 Found lorentz at 11 1.84021 lm= 1.84021 0.000103463 -6.63387e-17 lp= 1.84021 0.000103463 -0.828471 r- 0.00416283 Found lorentz at 12 2.63149 lm= 2.63149 0.00058389 -1.43117e-17 lp= 2.63149 0.000583898 -0.914146 r- 0.0212913 Q = 8.000000000002542 n0=0.001315470191633004 n1=1.770478836506429e-07 n2=9.043521618122801e-13 n3=0.003827212691819969 n4=0.0004260592230166253 n5=1.643820177369928e-07 n6=2.596546546471314e-12 n7=0.8478757623577745 n8=0.0005477626210689481 n9=1.092199612209231e-08 n10=0.001053006705882122 n11=9.559408860206395e-05 n12=5.314520690316328e-09 n13=0.1435425438917347 n14=1.451021366774001e-05 n15=0.001301720344881299 Q is here equal to 8.000000000002542 4.) nd: 8.140591411255295 Norm of Spectral functions:  0: 1.0012  1: 1.0127  2: 1.0328  3: 0.9997  4: 0.9998  5: 1.0000  6: 0.9998  7: 1.0000  8: 0.9977  9: 0.9998 10: 1.0011 11: 0.9813 12: 0.9986 13: 1.0000 14: 1.0012 15: 1.0159  0: 2.1430  1: 5.9976 4.) SelfConsistentStep 4.) Difference between steps: 0.002286 5.) DeterminSpectralFunctions ; lambda = -268.4890691234053 -1.092041946805239 Found lorentz at 7 -0.0293999 lm= -0.0293999 2.68677e-07 -2.25673 lp= -0.0293999 2.68677e-07 -0.847119 r- 0.00010093 Found lorentz at 8 0.622087 lm= 0.622087 1.20419e-06 -9.15397e-10 lp= 0.622087 1.20419e-06 -0.886334 r- 1.12781e-05 Found lorentz at 9 1.30612 lm= 1.30612 3.61563e-06 -2.46766e-15 lp= 1.30612 3.61563e-06 -0.94457 r- 0.000127593 Found lorentz at 10 1.11536 lm= 1.11536 3.39534e-05 -1.79107e-16 lp= 1.11536 3.39534e-05 -0.779826 r- 0.00145132 Found lorentz at 11 1.84012 lm= 1.84012 0.00010353 -6.62955e-17 lp= 1.84012 0.00010353 -0.828465 r- 0.00416552 Found lorentz at 12 2.6313 lm= 2.6313 0.000585643 -1.42693e-17 lp= 2.6313 0.000585651 -0.914159 r- 0.0213549 Q = 8.000000000001741 n0=0.001315656774621414 n1=1.770938105510659e-07 n2=9.04360040342357e-13 n3=0.003827570433003821 n4=0.0004260375482534987 n5=1.644171998448061e-07 n6=2.596405650437407e-12 n7=0.8478828810159033 n8=0.0005478328316834827 n9=1.09216343044573e-08 n10=0.001053088872494374 n11=9.559931517034331e-05 n12=5.313920323206716e-09 n13=0.14353521648781 n14=1.450947152879246e-05 n15=0.001301249499465409 Q is here equal to 8.000000000001741 5.) nd: 8.14058261868788 Norm of Spectral functions:  0: 1.0011  1: 1.0128  2: 1.0325  3: 0.9997  4: 0.9998  5: 1.0000  6: 0.9998  7: 1.0000  8: 0.9976  9: 0.9998 10: 1.0011 11: 0.9834 12: 0.9985 13: 1.0000 14: 1.0012 15: 1.0158  0: 2.1430  1: 5.9976 5.) SelfConsistentStep 5.) Difference between steps: 0.001401 6.) DeterminSpectralFunctions ; lambda = -268.4889222779418 -1.09189510134172 Found lorentz at 7 -0.0293997 lm= -0.0293997 2.68723e-07 -2.25674 lp= -0.0293997 2.68723e-07 -0.847129 r- 0.000100947 Found lorentz at 8 0.622026 lm= 0.622026 1.20601e-06 -9.1586e-10 lp= 0.622026 1.20601e-06 -0.886336 r- 1.12951e-05 Found lorentz at 9 1.30599 lm= 1.30599 3.61849e-06 -2.4657e-15 lp= 1.30599 3.61849e-06 -0.944569 r- 0.000127695 Found lorentz at 10 1.11537 lm= 1.11537 3.3955e-05 -1.79102e-16 lp= 1.11537 3.3955e-05 -0.779834 r- 0.00145138 Found lorentz at 11 1.84007 lm= 1.84007 0.000103596 -6.62526e-17 lp= 1.84007 0.000103596 -0.828462 r- 0.0041682 Found lorentz at 12 2.63119 lm= 2.63119 0.000587026 -1.4236e-17 lp= 2.63119 0.000587033 -0.91417 r- 0.0214051 Q = 8.000000000002807 n0=0.00131577395053274 n1=1.771366765873842e-07 n2=9.044348987585697e-13 n3=0.003827798888616356 n4=0.000426045981024775 n5=1.64451355846602e-07 n6=2.596468532002508e-12 n7=0.8478866279139998 n8=0.0005478852393512049 n9=1.092261138671804e-08 n10=0.00105314840758868 n11=9.56014554167123e-05 n12=5.314026862388535e-09 n13=0.1435313048945537 n14=1.451008617018431e-05 n15=0.001300945354574204 Q is here equal to 8.000000000002807 6.) nd: 8.140577745278165 Norm of Spectral functions:  0: 1.0011  1: 1.0129  2: 1.0323  3: 0.9997  4: 0.9998  5: 1.0000  6: 0.9999  7: 1.0000  8: 0.9976  9: 0.9998 10: 1.0011 11: 0.9914 12: 0.9984 13: 1.0001 14: 1.0012 15: 1.0158  0: 2.1430  1: 5.9976 6.) SelfConsistentStep 6.) Difference between steps: 0.0009697 Missing doping : 0 : 0.00730922 1 : 0.0297284