Sig = Sigma.000 Ac = Ac.inp Delta = None cix = out.cix out = . gloc = gloc.out sig = sig.inp susc = Susc.out Ed = [-60.3029,-60.6011,0,0] 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 = -60.3029 Ed1 = -60.6011 T = 0.03 N0 = 4 N1 = 6 valence state0 = 2 5 with Energy0 = -261.911 valence state1 = 3 4 with Energy1 = -261.613 valence state2 = 4 3 with Energy2 = -261.315 valence state3 = 1 6 with Energy3 = -260.109 valence state4 = 2 5 with Energy4 = -259.811 valence state5 = 3 4 with Energy5 = -259.513 valence state6 = 4 3 with Energy6 = -259.215 valence state7 = 2 6 with Energy7 = -267.212 valence state8 = 3 5 with Energy8 = -266.914 valence state9 = 4 4 with Energy9 = -266.616 valence state10 = 2 6 with Energy10 = -265.812 valence state11 = 3 5 with Energy11 = -265.514 valence state12 = 4 4 with Energy12 = -265.216 valence state13 = 3 6 with Energy13 = -264.915 valence state14 = 4 5 with Energy14 = -264.617 valence state15 = 4 6 with Energy15 = -255.318 ***************************************** Sigma.000: Number of entries: 447 Sigma.000: Number of columns: 33 Sigma.000: Peak-position 0 1.) DeterminSpectralFunctions ; lambda = -268.3226422195564 -1.110468545156436 Found lorentz at 7 -0.0294519 lm= -0.0294519 2.64284e-07 -2.25692 lp= -0.0294519 2.64284e-07 -0.845724 r- 9.94438e-05 Found lorentz at 8 0.628818 lm= 0.628818 1.21211e-06 -8.63879e-10 lp= 0.628818 1.21211e-06 -0.885773 r- 1.13595e-05 Found lorentz at 9 1.32104 lm= 1.32104 3.61828e-06 -2.46696e-15 lp= 1.32104 3.61828e-06 -0.944783 r- 0.000127658 Found lorentz at 10 1.11346 lm= 1.11346 3.30268e-05 -1.83523e-16 lp= 1.11346 3.30268e-05 -0.778536 r- 0.00141406 Found lorentz at 11 1.84584 lm= 1.84584 0.000100778 -6.80909e-17 lp= 1.84584 0.000100778 -0.828375 r- 0.00405524 Found lorentz at 12 2.64605 lm= 2.64605 0.000584363 -1.43147e-17 lp= 2.64605 0.00058437 -0.914611 r- 0.0212976 Q = 8.00000000000224 n0=0.001312676207769636 n1=1.762069018698903e-07 n2=9.026187896822049e-13 n3=0.003856186240505804 n4=0.0004250477143593562 n5=1.636136889179281e-07 n6=2.592923203867599e-12 n7=0.8479533100070266 n8=0.0005465171853417158 n9=1.094813455953488e-08 n10=0.001056897980273672 n11=9.520996004371879e-05 n12=5.328438375519166e-09 n13=0.1434171506403002 n14=1.462105049020411e-05 n15=0.001322026913229979 Q is here equal to 8.00000000000224 1.) nd: 8.140481575530529 Norm of Spectral functions:  0: 1.0012  1: 1.0082  2: 1.0343  3: 0.9997  4: 0.9999  5: 1.0000  6: 1.0004  7: 1.0000  8: 0.9981  9: 1.0001 10: 1.0008 11: 0.9985 12: 1.0073 13: 1.0000 14: 1.0014 15: 1.0656  0: 2.1429  1: 5.9976 1.) SelfConsistentStep 1.) Difference between steps: 0.01811 2.) DeterminSpectralFunctions ; lambda = -268.3158036613629 -1.103629986962915 Found lorentz at 7 -0.0294381 lm= -0.0294381 2.63481e-07 -2.25824 lp= -0.0294381 2.63481e-07 -0.846608 r- 9.90381e-05 Found lorentz at 8 0.626475 lm= 0.626475 1.17842e-06 -8.8222e-10 lp= 0.626475 1.17842e-06 -0.886385 r- 1.10361e-05 Found lorentz at 9 1.31574 lm= 1.31574 3.54816e-06 -2.51672e-15 lp= 1.31574 3.54816e-06 -0.944972 r- 0.000125159 Found lorentz at 10 1.11488 lm= 1.11488 3.31369e-05 -1.83491e-16 lp= 1.11488 3.3137e-05 -0.779765 r- 0.00141654 Found lorentz at 11 1.84465 lm= 1.84465 9.96162e-05 -6.90396e-17 lp= 1.84465 9.96163e-05 -0.829305 r- 0.004004 Found lorentz at 12 2.64129 lm= 2.64129 0.000560236 -1.4942e-17 lp= 2.64129 0.000560243 -0.914942 r- 0.0204109 Q = 8.000000000000073 n0=0.001305189287655832 n1=1.757878684523513e-07 n2=8.999717157652862e-13 n3=0.003847034755179052 n4=0.0004225041886012746 n5=1.632030412956508e-07 n6=2.585116977796125e-12 n7=0.8484446818805882 n8=0.0005448431524567081 n9=1.090856310382681e-08 n10=0.001053848568360103 n11=9.488558480579893e-05 n12=5.309073661114878e-09 n13=0.1429587295871093 n14=1.455442743824644e-05 n15=0.001313373355774031 Q is here equal to 8.000000000000073 2.) nd: 8.140024963500265 Norm of Spectral functions:  0: 1.0012  1: 1.0093  2: 1.0315  3: 0.9997  4: 0.9999  5: 1.0001  6: 1.0003  7: 1.0000  8: 0.9980  9: 1.0000 10: 1.0010 11: 0.9982 12: 1.0026 13: 1.0000 14: 1.0014 15: 1.0672  0: 2.1424  1: 5.9976 2.) SelfConsistentStep 2.) Difference between steps: 0.01126 3.) DeterminSpectralFunctions ; lambda = -268.3120069960389 -1.099833321638869 Found lorentz at 7 -0.0294311 lm= -0.0294311 2.629e-07 -2.25895 lp= -0.0294311 2.629e-07 -0.847074 r- 9.87654e-05 Found lorentz at 8 0.625103 lm= 0.625103 1.16035e-06 -8.92909e-10 lp= 0.625103 1.16035e-06 -0.886683 r- 1.08632e-05 Found lorentz at 9 1.31272 lm= 1.31272 3.51182e-06 -2.54319e-15 lp= 1.31272 3.51182e-06 -0.945053 r- 0.000123867 Found lorentz at 10 1.11562 lm= 1.11562 3.31333e-05 -1.83812e-16 lp= 1.11562 3.31333e-05 -0.780403 r- 0.00141522 Found lorentz at 11 1.84386 lm= 1.84386 9.89118e-05 -6.96036e-17 lp= 1.84386 9.89118e-05 -0.829736 r- 0.00397363 Found lorentz at 12 2.63855 lm= 2.63855 0.000548599 -1.52634e-17 lp= 2.63855 0.000548605 -0.915076 r- 0.019984 Q = 7.99999999999733 n0=0.001301011579110346 n1=1.753253317322738e-07 n2=8.971054629340214e-13 n3=0.003842500632403798 n4=0.0004210711734843146 n5=1.627468328348917e-07 n6=2.576712324716338e-12 n7=0.848709234757059 n8=0.0005430272542848843 n9=1.086860795839274e-08 n10=0.001050740470691492 n11=9.455977727350877e-05 n12=5.289122868884098e-09 n13=0.1427165121772297 n14=1.449466418702845e-05 n15=0.001306493280906735 Q is here equal to 7.99999999999733 3.) nd: 8.139779071942593 Norm of Spectral functions:  0: 1.0011  1: 1.0100  2: 1.0279  3: 0.9997  4: 0.9999  5: 1.0001  6: 1.0003  7: 1.0000  8: 0.9979  9: 1.0000 10: 1.0011 11: 0.9979 12: 1.0013 13: 1.0000 14: 1.0014 15: 1.0672  0: 2.1422  1: 5.9976 3.) SelfConsistentStep 3.) Difference between steps: 0.007378 4.) DeterminSpectralFunctions ; lambda = -268.3099129233643 -1.097739248964274 Found lorentz at 7 -0.0294279 lm= -0.0294279 2.62534e-07 -2.25935 lp= -0.0294279 2.62534e-07 -0.847313 r- 9.86001e-05 Found lorentz at 8 0.624315 lm= 0.624315 1.15425e-06 -8.99024e-10 lp= 0.624315 1.15425e-06 -0.886824 r- 1.08044e-05 Found lorentz at 9 1.31102 lm= 1.31102 3.49805e-06 -2.55337e-15 lp= 1.31102 3.49805e-06 -0.945083 r- 0.000123377 Found lorentz at 10 1.11599 lm= 1.11599 3.30975e-05 -1.84161e-16 lp= 1.11599 3.30975e-05 -0.780721 r- 0.00141312 Found lorentz at 11 1.84334 lm= 1.84334 9.86674e-05 -6.98071e-17 lp= 1.84334 9.86675e-05 -0.829921 r- 0.00396293 Found lorentz at 12 2.63699 lm= 2.63699 0.000544024 -1.53935e-17 lp= 2.63699 0.00054403 -0.915127 r- 0.0198162 Q = 8.000000000001018 n0=0.001298672348518993 n1=1.748233049800244e-07 n2=8.941063377090451e-13 n3=0.003840279336504469 n4=0.0004202594113797781 n5=1.622588724578105e-07 n6=2.567931015495269e-12 n7=0.8488553098470102 n8=0.0005415022554900649 n9=1.082954345540296e-08 n10=0.001048209003863774 n11=9.429425141414568e-05 n12=5.269460678430961e-09 n13=0.1425852079758556 n14=1.443908549078481e-05 n15=0.001301473299828594 Q is here equal to 8.000000000001018 4.) nd: 8.139643045478961 Norm of Spectral functions:  0: 1.0011  1: 1.0104  2: 1.0247  3: 0.9997  4: 0.9999  5: 1.0001  6: 1.0003  7: 1.0000  8: 0.9979  9: 0.9999 10: 1.0011 11: 0.9977 12: 1.0007 13: 1.0000 14: 1.0013 15: 1.0667  0: 2.1420  1: 5.9976 4.) SelfConsistentStep 4.) Difference between steps: 0.00493 5.) DeterminSpectralFunctions ; lambda = -268.3087614075225 -1.096587733122476 Found lorentz at 7 -0.0294266 lm= -0.0294266 2.62322e-07 -2.25958 lp= -0.0294266 2.62322e-07 -0.847434 r- 9.85066e-05 Found lorentz at 8 0.623867 lm= 0.623867 1.15539e-06 -9.02481e-10 lp= 0.623867 1.15539e-06 -0.886886 r- 1.08143e-05 Found lorentz at 9 1.31006 lm= 1.31006 3.49715e-06 -2.55408e-15 lp= 1.31006 3.49715e-06 -0.945092 r- 0.000123344 Found lorentz at 10 1.11617 lm= 1.11617 3.30601e-05 -1.84441e-16 lp= 1.11617 3.30601e-05 -0.780874 r- 0.00141124 Found lorentz at 11 1.84301 lm= 1.84301 9.87288e-05 -6.97754e-17 lp= 1.84301 9.87288e-05 -0.82999 r- 0.00396506 Found lorentz at 12 2.6361 lm= 2.6361 0.000543129 -1.54195e-17 lp= 2.6361 0.000543135 -0.915146 r- 0.0197832 Q = 8.000000000009893 n0=0.00129736009647244 n1=1.743355464249529e-07 n2=8.910630099179064e-13 n3=0.003839216488466877 n4=0.0004197975449100118 n5=1.617899497909066e-07 n6=2.559017875581244e-12 n7=0.8489375120877007 n8=0.000540350664154047 n9=1.079162949842903e-08 n10=0.001046336841916941 n11=9.409681158113101e-05 n12=5.250363399752574e-09 n13=0.1425126091248715 n14=1.438976314571008e-05 n15=0.0012979784058416 Q is here equal to 8.000000000009893 5.) nd: 8.139566245440905 Norm of Spectral functions:  0: 1.0011  1: 1.0106  2: 1.0223  3: 0.9997  4: 0.9999  5: 1.0001  6: 1.0003  7: 1.0000  8: 0.9978  9: 0.9999 10: 1.0012 11: 0.9975 12: 1.0003 13: 1.0000 14: 1.0013 15: 1.0664  0: 2.1419  1: 5.9976 5.) SelfConsistentStep 5.) Difference between steps: 0.003304 6.) DeterminSpectralFunctions ; lambda = -268.3081281609095 -1.09595448650947 Found lorentz at 7 -0.0294263 lm= -0.0294263 2.62207e-07 -2.25971 lp= -0.0294263 2.62207e-07 -0.847493 r- 9.84566e-05 Found lorentz at 8 0.623615 lm= 0.623615 1.16004e-06 -9.0442e-10 lp= 0.623615 1.16004e-06 -0.886913 r- 1.08575e-05 Found lorentz at 9 1.30952 lm= 1.30952 3.50245e-06 -2.5502e-15 lp= 1.30952 3.50245e-06 -0.945091 r- 0.000123531 Found lorentz at 10 1.11626 lm= 1.11626 3.30304e-05 -1.8464e-16 lp= 1.11626 3.30304e-05 -0.780945 r- 0.00140985 Found lorentz at 11 1.84281 lm= 1.84281 9.8946e-05 -6.96253e-17 lp= 1.84281 9.89461e-05 -0.830009 r- 0.00397369 Found lorentz at 12 2.6356 lm= 2.6356 0.000543923 -1.53973e-17 lp= 2.6356 0.000543929 -0.915153 r- 0.019812 Q = 8.000000000007622 n0=0.00129662397007932 n1=1.739031249436803e-07 n2=8.880341920625019e-13 n3=0.003838728393202467 n4=0.0004195338899436383 n5=1.613772047994451e-07 n6=2.550145912596967e-12 n7=0.8489841776282372 n8=0.0005395299813253325 n9=1.075579081396171e-08 n10=0.001045024120169605 n11=9.395728341384172e-05 n12=5.232351248949782e-09 n13=0.1424721100570542 n14=1.434836939321382e-05 n15=0.0012956150352714 Q is here equal to 8.000000000007622 6.) nd: 8.139522466959997 Norm of Spectral functions:  0: 1.0011  1: 1.0107  2: 1.0205  3: 0.9997  4: 0.9999  5: 1.0001  6: 1.0003  7: 1.0000  8: 0.9978  9: 0.9999 10: 1.0012 11: 0.9973 12: 1.0002 13: 1.0000 14: 1.0013 15: 1.0661  0: 2.1419  1: 5.9976 6.) SelfConsistentStep 6.) Difference between steps: 0.002194 7.) DeterminSpectralFunctions ; lambda = -268.3077792081273 -1.09560553372728 Found lorentz at 7 -0.0294262 lm= -0.0294262 2.62149e-07 -2.25979 lp= -0.0294262 2.62149e-07 -0.847522 r- 9.84313e-05 Found lorentz at 8 0.623473 lm= 0.623473 1.16581e-06 -9.055e-10 lp= 0.623473 1.16581e-06 -0.886922 r- 1.09114e-05 Found lorentz at 9 1.30921 lm= 1.30921 3.50994e-06 -2.54475e-15 lp= 1.30921 3.50994e-06 -0.945088 r- 0.000123796 Found lorentz at 10 1.1163 lm= 1.1163 3.30094e-05 -1.84773e-16 lp= 1.1163 3.30094e-05 -0.780976 r- 0.0014089 Found lorentz at 11 1.84269 lm= 1.84269 9.92155e-05 -6.9436e-17 lp= 1.84269 9.92155e-05 -0.830008 r- 0.00398452 Found lorentz at 12 2.63531 lm= 2.63531 0.000545318 -1.5358e-17 lp= 2.63531 0.000545324 -0.915156 r- 0.0198628 Q = 8.000000000000325 n0=0.001296211454192678 n1=1.735447045915327e-07 n2=8.850826046796759e-13 n3=0.003838519494818362 n4=0.0004193829470581258 n5=1.610367050437594e-07 n6=2.541503491980948e-12 n7=0.8490107583057529 n8=0.000538966220805259 n9=1.072317960213723e-08 n10=0.001044134606615234 n11=9.386184873621549e-05 n12=5.216008531344623e-09 n13=0.1424494505829982 n14=1.431525246916658e-05 n15=0.001294048762529596 Q is here equal to 8.000000000000325 7.) nd: 8.139497414879623 Norm of Spectral functions:  0: 1.0011  1: 1.0108  2: 1.0192  3: 0.9997  4: 0.9999  5: 1.0001  6: 1.0003  7: 1.0000  8: 0.9978  9: 0.9999 10: 1.0012 11: 0.9972 12: 1.0001 13: 1.0000 14: 1.0013 15: 1.0660  0: 2.1419  1: 5.9976 7.) SelfConsistentStep 7.) Difference between steps: 0.001442 8.) DeterminSpectralFunctions ; lambda = -268.307586247805 -1.095412573404985 Found lorentz at 7 -0.0294263 lm= -0.0294263 2.62122e-07 -2.25983 lp= -0.0294263 2.62122e-07 -0.847536 r- 9.84195e-05 Found lorentz at 8 0.623395 lm= 0.623395 1.1714e-06 -9.061e-10 lp= 0.623395 1.1714e-06 -0.886925 r- 1.09637e-05 Found lorentz at 9 1.30904 lm= 1.30904 3.51746e-06 -2.53929e-15 lp= 1.30904 3.51746e-06 -0.945085 r- 0.000124062 Found lorentz at 10 1.11632 lm= 1.11632 3.29954e-05 -1.84857e-16 lp= 1.11632 3.29954e-05 -0.780989 r- 0.00140827 Found lorentz at 11 1.84262 lm= 1.84262 9.94777e-05 -6.92517e-17 lp= 1.84262 9.94777e-05 -0.83 r- 0.00399509 Found lorentz at 12 2.63515 lm= 2.63515 0.000546771 -1.53172e-17 lp= 2.63515 0.000546777 -0.915158 r- 0.0199156 Q = 7.999999999999722 n0=0.001295980571899142 n1=1.732620542095451e-07 n2=8.822813841493009e-13 n3=0.003838441575108143 n4=0.0004192962824163693 n5=1.607690216996658e-07 n6=2.5333074723239e-12 n7=0.8490258699772811 n8=0.0005385887371923075 n9=1.069466852696805e-08 n10=0.001043546220166922 n11=9.379805403885862e-05 n12=5.201759158174445e-09 n13=0.1424368126065343 n14=1.428976058698599e-05 n15=0.001293026283856756 Q is here equal to 7.999999999999722 8.) nd: 8.139483102470921 Norm of Spectral functions:  0: 1.0011  1: 1.0108  2: 1.0184  3: 0.9997  4: 0.9999  5: 1.0001  6: 1.0003  7: 1.0000  8: 0.9978  9: 0.9999 10: 1.0012 11: 0.9971 12: 1.0000 13: 1.0000 14: 1.0013 15: 1.0659  0: 2.1418  1: 5.9976 8.) SelfConsistentStep 8.) Difference between steps: 0.0009378 Missing doping : 0 : 0.00744027 1 : 0.0280449