Sig = Sigma.000 Ac = Ac.inp Delta = None cix = out.cix out = . gloc = gloc.out sig = sig.inp susc = Susc.out Ed = [-60.3247,-60.6243,0,0] 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 = -60.3247 Ed1 = -60.6243 T = 0.03 N0 = 4 N1 = 6 valence state0 = 2 5 with Energy0 = -262.071 valence state1 = 3 4 with Energy1 = -261.771 valence state2 = 4 3 with Energy2 = -261.471 valence state3 = 1 6 with Energy3 = -260.27 valence state4 = 2 5 with Energy4 = -259.971 valence state5 = 3 4 with Energy5 = -259.671 valence state6 = 4 3 with Energy6 = -259.371 valence state7 = 2 6 with Energy7 = -267.395 valence state8 = 3 5 with Energy8 = -267.095 valence state9 = 4 4 with Energy9 = -266.796 valence state10 = 2 6 with Energy10 = -265.995 valence state11 = 3 5 with Energy11 = -265.695 valence state12 = 4 4 with Energy12 = -265.396 valence state13 = 3 6 with Energy13 = -265.12 valence state14 = 4 5 with Energy14 = -264.82 valence state15 = 4 6 with Energy15 = -255.544 ***************************************** Sigma.000: Number of entries: 447 Sigma.000: Number of columns: 33 Sigma.000: Peak-position 0 1.) DeterminSpectralFunctions ; lambda = -268.4867325358609 -1.091810055060989 Found lorentz at 7 -0.0294 lm= -0.0294 2.68753e-07 -2.25678 lp= -0.0294 2.68753e-07 -0.847134 r- 0.000100957 Found lorentz at 8 0.621997 lm= 0.621997 1.20787e-06 -9.16083e-10 lp= 0.621997 1.20787e-06 -0.886337 r- 1.13125e-05 Found lorentz at 9 1.30592 lm= 1.30592 3.62133e-06 -2.46376e-15 lp= 1.30592 3.62133e-06 -0.944568 r- 0.000127795 Found lorentz at 10 1.11538 lm= 1.11538 3.3956e-05 -1.79098e-16 lp= 1.11538 3.3956e-05 -0.779837 r- 0.00145141 Found lorentz at 11 1.84004 lm= 1.84004 0.000103667 -6.62064e-17 lp= 1.84004 0.000103667 -0.828459 r- 0.00417109 Found lorentz at 12 2.63115 lm= 2.63114 0.000588193 -1.4208e-17 lp= 2.63114 0.000588201 -0.914177 r- 0.0214475 Q = 8.000000000004064 n0=0.001315925335987239 n1=1.771790158556026e-07 n2=9.045980293900728e-13 n3=0.003828148331051048 n4=0.0004261456137950309 n5=1.644876038670109e-07 n6=2.596795027085389e-12 n7=0.8479003907892929 n8=0.0005479230085895497 n9=1.092435871208968e-08 n10=0.001053191935819202 n11=9.560236039235239e-05 n12=5.314579590215247e-09 n13=0.1435171251353186 n14=1.451065518760606e-05 n15=0.001300678925506843 Q is here equal to 8.000000000004064 1.) nd: 8.140562432690565 Norm of Spectral functions:  0: 1.0011  1: 1.0130  2: 1.0321  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: 0.9960 12: 0.9984 13: 1.0001 14: 1.0012 15: 1.0161  0: 2.1430  1: 5.9976 1.) SelfConsistentStep 1.) Difference between steps: 0.008855 2.) DeterminSpectralFunctions ; lambda = -268.4888702599588 -1.093947779158839 Found lorentz at 7 -0.0293993 lm= -0.0293993 2.68657e-07 -2.25616 lp= -0.0293993 2.68657e-07 -0.846922 r- 0.000100946 Found lorentz at 8 0.622994 lm= 0.622994 1.22328e-06 -9.08416e-10 lp= 0.622994 1.22328e-06 -0.886219 r- 1.14584e-05 Found lorentz at 9 1.30818 lm= 1.30818 3.64963e-06 -2.44484e-15 lp= 1.30818 3.64963e-06 -0.944604 r- 0.000128789 Found lorentz at 10 1.11506 lm= 1.11506 3.38815e-05 -1.79377e-16 lp= 1.11506 3.38815e-05 -0.779586 r- 0.0014487 Found lorentz at 11 1.8408 lm= 1.8408 0.000104221 -6.58314e-17 lp= 1.8408 0.000104221 -0.828312 r- 0.00419411 Found lorentz at 12 2.63341 lm= 2.63341 0.000597882 -1.39798e-17 lp= 2.63341 0.00059789 -0.914243 r- 0.0217992 Q = 7.999999999996946 n0=0.001315648201476737 n1=1.771046179605493e-07 n2=9.04175686322755e-13 n3=0.003829559061508633 n4=0.0004261078593420332 n5=1.644155983010814e-07 n6=2.595466184082972e-12 n7=0.84766923467434 n8=0.0005479858374353971 n9=1.092868535860641e-08 n10=0.001053607177603502 n11=9.557326629991979e-05 n12=5.315533287536559e-09 n13=0.1437443106872449 n14=1.453403409785157e-05 n15=0.001303081432716532 Q is here equal to 7.999999999996946 2.) nd: 8.140793350940735 Norm of Spectral functions:  0: 1.0011  1: 1.0127  2: 1.0315  3: 0.9998  4: 0.9998  5: 1.0000  6: 1.0000  7: 1.0000  8: 0.9977  9: 0.9999 10: 1.0010 11: 0.9920 12: 0.9994 13: 1.0000 14: 1.0012 15: 1.0175  0: 2.1432  1: 5.9976 2.) SelfConsistentStep 2.) Difference between steps: 0.005609 3.) DeterminSpectralFunctions ; lambda = -268.4900439283549 -1.095121447554902 Found lorentz at 7 -0.0293982 lm= -0.0293982 2.68532e-07 -2.25581 lp= -0.0293982 2.68532e-07 -0.846819 r- 0.000100912 Found lorentz at 8 0.623572 lm= 0.623572 1.23223e-06 -9.0399e-10 lp= 0.623572 1.23223e-06 -0.886172 r- 1.15428e-05 Found lorentz at 9 1.30948 lm= 1.30948 3.66461e-06 -2.43502e-15 lp= 1.30948 3.66461e-06 -0.944637 r- 0.000129313 Found lorentz at 10 1.11492 lm= 1.11492 3.38386e-05 -1.79553e-16 lp= 1.11492 3.38386e-05 -0.779477 r- 0.00144707 Found lorentz at 11 1.84127 lm= 1.84127 0.00010455 -6.5617e-17 lp= 1.84127 0.00010455 -0.828266 r- 0.00420758 Found lorentz at 12 2.63473 lm= 2.63473 0.00060285 -1.38665e-17 lp= 2.63473 0.000602858 -0.914307 r- 0.0219788 Q = 7.999999999998929 n0=0.001315331645487138 n1=1.770736061053721e-07 n2=9.041282658434569e-13 n3=0.003830012866462792 n4=0.0004259999123182535 n5=1.643792768878142e-07 n6=2.595173290049047e-12 n7=0.8475375235562637 n8=0.0005481785457548346 n9=1.093536776969052e-08 n10=0.001054246296952975 n11=9.559271422581941e-05 n12=5.318349448938082e-09 n13=0.1438729746498024 n14=1.454968206082593e-05 n15=0.001305232420571935 Q is here equal to 7.999999999998929 3.) nd: 8.140926303292359 Norm of Spectral functions:  0: 1.0011  1: 1.0125  2: 1.0313  3: 0.9998  4: 0.9998  5: 1.0000  6: 1.0001  7: 1.0000  8: 0.9978  9: 0.9999 10: 1.0010 11: 0.9946 12: 0.9999 13: 1.0000 14: 1.0013 15: 1.0184  0: 2.1433  1: 5.9976 3.) SelfConsistentStep 3.) Difference between steps: 0.003687 4.) DeterminSpectralFunctions ; lambda = -268.4906936655531 -1.095771184753175 Found lorentz at 7 -0.0293972 lm= -0.0293972 2.68413e-07 -2.25561 lp= -0.0293972 2.68413e-07 -0.84677 r- 0.000100873 Found lorentz at 8 0.623912 lm= 0.623912 1.23611e-06 -9.01395e-10 lp= 0.623912 1.23611e-06 -0.886157 r- 1.15794e-05 Found lorentz at 9 1.31023 lm= 1.31023 3.67059e-06 -2.43118e-15 lp= 1.31023 3.67059e-06 -0.944663 r- 0.00012952 Found lorentz at 10 1.11486 lm= 1.11486 3.38121e-05 -1.79673e-16 lp= 1.11486 3.38121e-05 -0.779431 r- 0.00144601 Found lorentz at 11 1.84158 lm= 1.84158 0.00010467 -6.55414e-17 lp= 1.84158 0.00010467 -0.828265 r- 0.00421243 Found lorentz at 12 2.6355 lm= 2.6355 0.000604978 -1.38193e-17 lp= 2.6355 0.000604986 -0.914358 r- 0.0220551 Q = 8.000000000008848 n0=0.001315051104199216 n1=1.770781450218665e-07 n2=9.043530522591282e-13 n3=0.003830058181801756 n4=0.0004259304032083684 n5=1.643789946587717e-07 n6=2.59569388222444e-12 n7=0.8474621221939486 n8=0.0005483682987152349 n9=1.094214550058538e-08 n10=0.001054834283846063 n11=9.562355530063871e-05 n12=5.321545039796227e-09 n13=0.1439461725906034 n14=1.456140502825261e-05 n15=0.001306920259018049 Q is here equal to 8.000000000008848 4.) nd: 8.141003193363819 Norm of Spectral functions:  0: 1.0011  1: 1.0124  2: 1.0313  3: 0.9998  4: 0.9998  5: 1.0000  6: 1.0001  7: 1.0000  8: 0.9978  9: 0.9999 10: 1.0010 11: 0.9954 12: 1.0002 13: 1.0000 14: 1.0013 15: 1.0189  0: 2.1434  1: 5.9976 4.) SelfConsistentStep 4.) Difference between steps: 0.002431 5.) DeterminSpectralFunctions ; lambda = -268.4910575574171 -1.096135076617145 Found lorentz at 7 -0.0293966 lm= -0.0293966 2.68314e-07 -2.25549 lp= -0.0293966 2.68314e-07 -0.846746 r- 0.000100839 Found lorentz at 8 0.624115 lm= 0.624115 1.23678e-06 -8.99862e-10 lp= 0.624115 1.23678e-06 -0.886154 r- 1.15857e-05 Found lorentz at 9 1.31067 lm= 1.31067 3.6714e-06 -2.43075e-15 lp= 1.31067 3.6714e-06 -0.944682 r- 0.000129546 Found lorentz at 10 1.11483 lm= 1.11483 3.37946e-05 -1.79757e-16 lp= 1.11483 3.37946e-05 -0.779412 r- 0.0014453 Found lorentz at 11 1.84177 lm= 1.84177 0.000104661 -6.55491e-17 lp= 1.84177 0.000104661 -0.828276 r- 0.00421199 Found lorentz at 12 2.63595 lm= 2.63595 0.000605657 -1.38048e-17 lp= 2.63595 0.000605665 -0.914392 r- 0.0220791 Q = 7.999999999995794 n0=0.001314828978413424 n1=1.771012656643736e-07 n2=9.047255438947735e-13 n3=0.003829952698186063 n4=0.0004258800949577964 n5=1.643987507206516e-07 n6=2.596683407640789e-12 n7=0.8474192577914307 n8=0.0005485174005964689 n9=1.094831607421122e-08 n10=0.00105529376430726 n11=9.565254715115918e-05 n12=5.32460070973385e-09 n13=0.1439875321702846 n14=1.457040472483344e-05 n15=0.001308156373513003 Q is here equal to 7.999999999995794 5.) nd: 8.141047412046962 Norm of Spectral functions:  0: 1.0011  1: 1.0123  2: 1.0314  3: 0.9998  4: 0.9998  5: 1.0000  6: 1.0001  7: 1.0000  8: 0.9978  9: 0.9999 10: 1.0010 11: 0.9959 12: 1.0003 13: 1.0000 14: 1.0013 15: 1.0191  0: 2.1434  1: 5.9976 5.) SelfConsistentStep 5.) Difference between steps: 0.001599 6.) DeterminSpectralFunctions ; lambda = -268.4912637593216 -1.096341278521606 Found lorentz at 7 -0.0293961 lm= -0.0293961 2.68238e-07 -2.25542 lp= -0.0293961 2.68238e-07 -0.846734 r- 0.000100811 Found lorentz at 8 0.624235 lm= 0.624235 1.23574e-06 -8.98948e-10 lp= 0.624235 1.23574e-06 -0.886156 r- 1.15759e-05 Found lorentz at 9 1.31093 lm= 1.31093 3.66964e-06 -2.43198e-15 lp= 1.31093 3.66964e-06 -0.944696 r- 0.000129482 Found lorentz at 10 1.11481 lm= 1.11481 3.37827e-05 -1.79817e-16 lp= 1.11481 3.37827e-05 -0.779405 r- 0.00144481 Found lorentz at 11 1.84188 lm= 1.84188 0.000104584 -6.55991e-17 lp= 1.84188 0.000104584 -0.828289 r- 0.00420884 Found lorentz at 12 2.63622 lm= 2.63622 0.000605639 -1.38059e-17 lp= 2.63622 0.000605647 -0.914413 r- 0.0220779 Q = 8.000000000001453 n0=0.001314664240303773 n1=1.771301042747188e-07 n2=9.051526924058181e-13 n3=0.003829812424691388 n4=0.0004258439905540545 n5=1.644258873276429e-07 n6=2.597870420458415e-12 n7=0.8473950794931818 n8=0.0005486222033397074 n9=1.09536236869817e-08 n10=0.001055623652807555 n11=9.567551525283219e-05 n12=5.327301401443874e-09 n13=0.1440107208283204 n14=1.457723975254741e-05 n15=0.00130902257137625 Q is here equal to 8.000000000001453 6.) nd: 8.14107268099578 Norm of Spectral functions:  0: 1.0011  1: 1.0122  2: 1.0315  3: 0.9998  4: 0.9998  5: 1.0000  6: 1.0001  7: 1.0000  8: 0.9978  9: 0.9999 10: 1.0010 11: 0.9961 12: 1.0005 13: 1.0000 14: 1.0013 15: 1.0193  0: 2.1435  1: 5.9976 6.) SelfConsistentStep 6.) Difference between steps: 0.001048 7.) DeterminSpectralFunctions ; lambda = -268.4913819214628 -1.096459440662898 Found lorentz at 7 -0.0293958 lm= -0.0293958 2.68182e-07 -2.25539 lp= -0.0293958 2.68182e-07 -0.846727 r- 0.000100791 Found lorentz at 8 0.624308 lm= 0.624308 1.23398e-06 -8.984e-10 lp= 0.624308 1.23398e-06 -0.886159 r- 1.15594e-05 Found lorentz at 9 1.31109 lm= 1.31109 3.66689e-06 -2.43385e-15 lp= 1.31109 3.66689e-06 -0.944704 r- 0.000129384 Found lorentz at 10 1.11481 lm= 1.11481 3.37743e-05 -1.7986e-16 lp= 1.11481 3.37743e-05 -0.779401 r- 0.00144446 Found lorentz at 11 1.84196 lm= 1.84196 0.000104482 -6.56647e-17 lp= 1.84196 0.000104482 -0.8283 r- 0.00420469 Found lorentz at 12 2.63638 lm= 2.63638 0.000605327 -1.38133e-17 lp= 2.63638 0.000605335 -0.914426 r- 0.0220662 Q = 7.99999999999867 n0=0.001314547120960643 n1=1.771572785508784e-07 n2=9.055743113771946e-13 n3=0.003829683955460329 n4=0.0004258187564199074 n5=1.644527152999466e-07 n6=2.599072383310727e-12 n7=0.847381518930679 n8=0.0005486907556304325 n9=1.095799722980039e-08 n10=0.001055848125447118 n11=9.56921792300444e-05 n12=5.329566855362846e-09 n13=0.1440236490022427 n14=1.458229913189667e-05 n15=0.001309610973735534 Q is here equal to 7.99999999999867 7.) nd: 8.141087061802507 Norm of Spectral functions:  0: 1.0011  1: 1.0121  2: 1.0316  3: 0.9998  4: 0.9998  5: 1.0000  6: 1.0001  7: 1.0000  8: 0.9978  9: 0.9999 10: 1.0010 11: 0.9962 12: 1.0005 13: 1.0000 14: 1.0013 15: 1.0194  0: 2.1435  1: 5.9976 7.) SelfConsistentStep 7.) Difference between steps: 0.0006824 Missing doping : 0 : 0.00715815 1 : 0.028482