Sig = Sigma.000 Ac = Ac.inp Delta = None cix = out.cix out = . gloc = gloc.out sig = sig.inp susc = Susc.out Ed = [-60.3144,-60.6139,0,0] 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 = -60.3144 Ed1 = -60.6139 T = 0.03 N0 = 4 N1 = 6 valence state0 = 2 5 with Energy0 = -261.998 valence state1 = 3 4 with Energy1 = -261.699 valence state2 = 4 3 with Energy2 = -261.399 valence state3 = 1 6 with Energy3 = -260.198 valence state4 = 2 5 with Energy4 = -259.898 valence state5 = 3 4 with Energy5 = -259.599 valence state6 = 4 3 with Energy6 = -259.299 valence state7 = 2 6 with Energy7 = -267.312 valence state8 = 3 5 with Energy8 = -267.013 valence state9 = 4 4 with Energy9 = -266.713 valence state10 = 2 6 with Energy10 = -265.912 valence state11 = 3 5 with Energy11 = -265.613 valence state12 = 4 4 with Energy12 = -265.313 valence state13 = 3 6 with Energy13 = -265.027 valence state14 = 4 5 with Energy14 = -264.727 valence state15 = 4 6 with Energy15 = -255.441 ***************************************** Sigma.000: Number of entries: 447 Sigma.000: Number of columns: 33 Sigma.000: Peak-position 0 1.) DeterminSpectralFunctions ; lambda = -268.4263804774471 -1.114071779447045 Found lorentz at 7 -0.0294229 lm= -0.0294229 2.64647e-07 -2.25374 lp= -0.0294229 2.64647e-07 -0.845349 r- 9.96246e-05 Found lorentz at 8 0.631229 lm= 0.631229 1.24872e-06 -8.45375e-10 lp= 0.631229 1.24872e-06 -0.885503 r- 1.17061e-05 Found lorentz at 9 1.32611 lm= 1.32611 3.67865e-06 -2.42579e-15 lp= 1.32611 3.67865e-06 -0.94465 r- 0.000129806 Found lorentz at 10 1.11293 lm= 1.11293 3.29622e-05 -1.83662e-16 lp= 1.11293 3.29622e-05 -0.778068 r- 0.00141214 Found lorentz at 11 1.84772 lm= 1.84772 0.000102111 -6.7147e-17 lp= 1.84772 0.000102111 -0.828036 r- 0.00411057 Found lorentz at 12 2.65085 lm= 2.65085 0.000605293 -1.37975e-17 lp= 2.65085 0.0006053 -0.913876 r- 0.0220782 Q = 7.99999999999529 n0=0.001313732430455569 n1=1.775370181851113e-07 n2=9.131821101918948e-13 n3=0.003860208587977528 n4=0.0004256502486016828 n5=1.648520286851483e-07 n6=2.622930022918539e-12 n7=0.8467719399130629 n8=0.0005497780958664628 n9=1.105417570649302e-08 n10=0.001063098496533017 n11=9.587468159880081e-05 n12=5.380458562033555e-09 n13=0.1445706722034734 n14=1.475366689666967e-05 n15=0.001333932848316861 Q is here equal to 7.99999999999529 1.) nd: 8.141653357907385 Norm of Spectral functions:  0: 1.0012  1: 1.0076  2: 1.0351  3: 0.9997  4: 0.9999  5: 0.9999  6: 1.0006  7: 1.0000  8: 0.9982  9: 1.0002 10: 1.0008 11: 0.9989 12: 0.9831 13: 1.0001 14: 1.0014 15: 1.0856  0: 2.1441  1: 5.9976 1.) SelfConsistentStep 1.) Difference between steps: 0.02258 2.) DeterminSpectralFunctions ; lambda = -268.4248595342679 -1.112550836267872 Found lorentz at 7 -0.0294263 lm= -0.0294263 2.64549e-07 -2.25443 lp= -0.0294263 2.64549e-07 -0.84551 r- 9.95689e-05 Found lorentz at 8 0.630801 lm= 0.630801 1.23962e-06 -8.48733e-10 lp= 0.630801 1.23962e-06 -0.885632 r- 1.16191e-05 Found lorentz at 9 1.32516 lm= 1.32516 3.6619e-06 -2.43724e-15 lp= 1.32516 3.6619e-06 -0.944719 r- 0.000129206 Found lorentz at 10 1.11316 lm= 1.11316 3.30004e-05 -1.83543e-16 lp= 1.11316 3.30004e-05 -0.778267 r- 0.00141341 Found lorentz at 11 1.84751 lm= 1.84751 0.00010183 -6.73604e-17 lp= 1.84751 0.00010183 -0.828211 r- 0.0040984 Found lorentz at 12 2.65004 lm= 2.65004 0.000600126 -1.39192e-17 lp= 2.65004 0.000600133 -0.913971 r- 0.0218875 Q = 7.999999999999203 n0=0.00131132794263776 n1=1.772091349892736e-07 n2=9.112575796350661e-13 n3=0.003853808990006974 n4=0.0004248813230153156 n5=1.64546987664055e-07 n6=2.617577699052925e-12 n7=0.847026462759334 n8=0.0005489746181565547 n9=1.103535996245566e-08 n10=0.001061721858428928 n11=9.570156327299052e-05 n12=5.370976028781078e-09 n13=0.1443298238643853 n14=1.473801661005367e-05 n15=0.001332200898164832 Q is here equal to 7.999999999999203 2.) nd: 8.141418603662013 Norm of Spectral functions:  0: 1.0012  1: 1.0075  2: 1.0349  3: 0.9997  4: 0.9999  5: 0.9999  6: 1.0005  7: 1.0000  8: 0.9982  9: 1.0002 10: 1.0008 11: 0.9989 12: 0.9997 13: 1.0000 14: 1.0014 15: 1.0785  0: 2.1438  1: 5.9976 2.) SelfConsistentStep 2.) Difference between steps: 0.01389 3.) DeterminSpectralFunctions ; lambda = -268.4240351030727 -1.111726405072659 Found lorentz at 7 -0.0294294 lm= -0.0294294 2.64511e-07 -2.25486 lp= -0.0294294 2.64511e-07 -0.845587 r- 9.95456e-05 Found lorentz at 8 0.630575 lm= 0.630575 1.23419e-06 -8.50506e-10 lp= 0.630575 1.23419e-06 -0.885697 r- 1.15673e-05 Found lorentz at 9 1.32466 lm= 1.32466 3.65259e-06 -2.44364e-15 lp= 1.32466 3.65259e-06 -0.944755 r- 0.000128873 Found lorentz at 10 1.11327 lm= 1.11327 3.30177e-05 -1.83488e-16 lp= 1.11327 3.30177e-05 -0.778353 r- 0.001414 Found lorentz at 11 1.84739 lm= 1.84739 0.000101661 -6.74859e-17 lp= 1.84739 0.000101661 -0.828292 r- 0.00409118 Found lorentz at 12 2.6496 lm= 2.6496 0.000597581 -1.39985e-17 lp= 2.6496 0.000597588 -0.914624 r- 0.0217791 Q = 8.00000000000335 n0=0.001310039612189804 n1=1.769156820188389e-07 n2=9.09411222639855e-13 n3=0.003850431821436413 n4=0.0004244683618770439 n5=1.642845980045713e-07 n6=2.612432472407843e-12 n7=0.8471888794804245 n8=0.0005482031350181943 n9=1.101788441539792e-08 n10=0.001060373503250547 n11=9.554909473696488e-05 n12=5.362411905472508e-09 n13=0.1441765961889316 n14=1.472028097923954e-05 n15=0.001330380937057499 Q is here equal to 8.00000000000335 3.) nd: 8.141266797344722 Norm of Spectral functions:  0: 1.0012  1: 1.0075  2: 1.0349  3: 0.9997  4: 0.9999  5: 0.9999  6: 1.0005  7: 1.0000  8: 0.9981  9: 1.0002 10: 1.0008 11: 0.9989 12: 1.0077 13: 1.0000 14: 1.0014 15: 1.0746  0: 2.1437  1: 5.9976 3.) SelfConsistentStep 3.) Difference between steps: 0.008575 4.) DeterminSpectralFunctions ; lambda = -268.4235572524252 -1.111248554425117 Found lorentz at 7 -0.0294315 lm= -0.0294315 2.64483e-07 -2.25513 lp= -0.0294315 2.64483e-07 -0.84563 r- 9.95298e-05 Found lorentz at 8 0.630435 lm= 0.630435 1.23118e-06 -8.516e-10 lp= 0.630435 1.23118e-06 -0.885732 r- 1.15387e-05 Found lorentz at 9 1.32436 lm= 1.32436 3.64795e-06 -2.44684e-15 lp= 1.32436 3.64795e-06 -0.944773 r- 0.000128707 Found lorentz at 10 1.11333 lm= 1.11333 3.30249e-05 -1.8347e-16 lp= 1.11333 3.30249e-05 -0.778402 r- 0.00141422 Found lorentz at 11 1.8473 lm= 1.8473 0.000101572 -6.75515e-17 lp= 1.8473 0.000101572 -0.828332 r- 0.00408741 Found lorentz at 12 2.64933 lm= 2.64932 0.000595879 -1.40389e-17 lp= 2.64932 0.000595886 -0.914638 r- 0.0217167 Q = 8.000000000007866 n0=0.001309374302194562 n1=1.766517129980652e-07 n2=9.076937951476027e-13 n3=0.00384872082841628 n4=0.0004242537365754447 n5=1.640492827543691e-07 n6=2.607622812281383e-12 n7=0.8472888879637256 n8=0.0005475706610338449 n9=1.100164105922417e-08 n10=0.001059250411069303 n11=9.542746981130999e-05 n12=5.354558208344955e-09 n13=0.1440826646962925 n14=1.470230753895924e-05 n15=0.001328790562631899 Q is here equal to 8.000000000007866 4.) nd: 8.141172258557399 Norm of Spectral functions:  0: 1.0012  1: 1.0074  2: 1.0349  3: 0.9997  4: 0.9999  5: 0.9999  6: 1.0004  7: 1.0000  8: 0.9981  9: 1.0002 10: 1.0008 11: 0.9989 12: 1.0148 13: 1.0000 14: 1.0014 15: 1.0723  0: 2.1436  1: 5.9976 4.) SelfConsistentStep 4.) Difference between steps: 0.00535 5.) DeterminSpectralFunctions ; lambda = -268.4232626538005 -1.110953955800483 Found lorentz at 7 -0.0294326 lm= -0.0294326 2.64454e-07 -2.2553 lp= -0.0294326 2.64454e-07 -0.845659 r- 9.95156e-05 Found lorentz at 8 0.630336 lm= 0.630336 1.22965e-06 -8.52367e-10 lp= 0.630336 1.22965e-06 -0.88575 r- 1.15242e-05 Found lorentz at 9 1.32416 lm= 1.32416 3.64602e-06 -2.44818e-15 lp= 1.32416 3.64602e-06 -0.944781 r- 0.000128637 Found lorentz at 10 1.11337 lm= 1.11337 3.30277e-05 -1.83472e-16 lp= 1.11337 3.30277e-05 -0.778439 r- 0.00141427 Found lorentz at 11 1.84723 lm= 1.84723 0.000101534 -6.75803e-17 lp= 1.84723 0.000101534 -0.828353 r- 0.00408577 Found lorentz at 12 2.64913 lm= 2.64913 0.000594904 -1.4062e-17 lp= 2.64913 0.000594911 -0.914639 r- 0.0216811 Q = 7.999999999996361 n0=0.001309046629765932 n1=1.764230796873627e-07 n2=9.061206426255208e-13 n3=0.00384790104569621 n4=0.0004241465951304973 n5=1.638471650154029e-07 n6=2.603209393141567e-12 n7=0.8473489674902982 n8=0.0005470955556410847 n9=1.098668381195429e-08 n10=0.00105839530811631 n11=9.533656181671877e-05 n12=5.347351959685295e-09 n13=0.1440265374713229 n14=1.46857407182863e-05 n15=0.00132753099370408 Q is here equal to 7.999999999996361 5.) nd: 8.141114850655104 Norm of Spectral functions:  0: 1.0012  1: 1.0074  2: 1.0349  3: 0.9997  4: 0.9999  5: 1.0000  6: 1.0004  7: 1.0000  8: 0.9981  9: 1.0002 10: 1.0008 11: 0.9988 12: 1.0168 13: 1.0000 14: 1.0014 15: 1.0710  0: 2.1435  1: 5.9976 5.) SelfConsistentStep 5.) Difference between steps: 0.00333 6.) DeterminSpectralFunctions ; lambda = -268.4230721710144 -1.110763473014401 Found lorentz at 7 -0.0294331 lm= -0.0294331 2.64427e-07 -2.2554 lp= -0.0294331 2.64427e-07 -0.845682 r- 9.95026e-05 Found lorentz at 8 0.630261 lm= 0.630261 1.229e-06 -8.52945e-10 lp= 0.630261 1.229e-06 -0.885761 r- 1.15179e-05 Found lorentz at 9 1.32402 lm= 1.32402 3.6456e-06 -2.44848e-15 lp= 1.32402 3.6456e-06 -0.944784 r- 0.000128622 Found lorentz at 10 1.1134 lm= 1.1134 3.30286e-05 -1.83482e-16 lp= 1.1134 3.30286e-05 -0.77847 r- 0.00141425 Found lorentz at 11 1.84717 lm= 1.84717 0.000101525 -6.75878e-17 lp= 1.84717 0.000101525 -0.828364 r- 0.00408537 Found lorentz at 12 2.64899 lm= 2.64899 0.000594379 -1.40742e-17 lp= 2.64899 0.000594386 -0.914633 r- 0.0216622 Q = 8.000000000001593 n0=0.001308896126089116 n1=1.762339836016842e-07 n2=9.04695475238106e-13 n3=0.00384754169030464 n4=0.0004240960153307353 n5=1.636773106085938e-07 n6=2.59918482156353e-12 n7=0.8473844749689224 n8=0.0005467584631622628 n9=1.097322702031918e-08 n10=0.001057781220335368 n11=9.527168001142326e-05 n12=5.340868002203724e-09 n13=0.1439935586712681 n14=1.46715272793802e-05 n15=0.001326593408403616 Q is here equal to 8.000000000001593 6.) nd: 8.141080543268833 Norm of Spectral functions:  0: 1.0012  1: 1.0074  2: 1.0349  3: 0.9997  4: 0.9999  5: 1.0000  6: 1.0004  7: 1.0000  8: 0.9981  9: 1.0002 10: 1.0008 11: 0.9988 12: 1.0172 13: 1.0000 14: 1.0014 15: 1.0702  0: 2.1435  1: 5.9976 6.) SelfConsistentStep 6.) Difference between steps: 0.002077 7.) DeterminSpectralFunctions ; lambda = -268.4229450497052 -1.110636351705182 Found lorentz at 7 -0.0294333 lm= -0.0294333 2.64403e-07 -2.25545 lp= -0.0294333 2.64403e-07 -0.8457 r- 9.94914e-05 Found lorentz at 8 0.630203 lm= 0.630203 1.22886e-06 -8.5339e-10 lp= 0.630203 1.22886e-06 -0.885767 r- 1.15165e-05 Found lorentz at 9 1.32393 lm= 1.32393 3.64594e-06 -2.44825e-15 lp= 1.32393 3.64594e-06 -0.944785 r- 0.000128634 Found lorentz at 10 1.11343 lm= 1.11343 3.30289e-05 -1.83493e-16 lp= 1.11343 3.30289e-05 -0.778496 r- 0.00141422 Found lorentz at 11 1.84713 lm= 1.84713 0.000101533 -6.75834e-17 lp= 1.84713 0.000101533 -0.82837 r- 0.00408566 Found lorentz at 12 2.64888 lm= 2.64887 0.000594121 -1.408e-17 lp= 2.64888 0.000594128 -0.914625 r- 0.021653 Q = 7.999999999998562 n0=0.001308835055344563 n1=1.760841855376715e-07 n2=9.034209972582242e-13 n3=0.003847409915915533 n4=0.0004240742061238089 n5=1.635401468061091e-07 n6=2.59556177600771e-12 n7=0.847405232378701 n8=0.0005465288722934539 n9=1.096146986412097e-08 n10=0.001057358175300512 n11=9.52269311522147e-05 n12=5.335184253931251e-09 n13=0.1439743939604018 n14=1.465999951850735e-05 n15=0.001325924580763158 Q is here equal to 7.999999999998562 7.) nd: 8.141060244316233 Norm of Spectral functions:  0: 1.0012  1: 1.0074  2: 1.0350  3: 0.9997  4: 0.9999  5: 1.0000  6: 1.0004  7: 1.0000  8: 0.9981  9: 1.0002 10: 1.0008 11: 0.9988 12: 1.0171 13: 1.0000 14: 1.0014 15: 1.0698  0: 2.1435  1: 5.9976 7.) SelfConsistentStep 7.) Difference between steps: 0.001302 8.) DeterminSpectralFunctions ; lambda = -268.4228586702901 -1.110549972290016 Found lorentz at 7 -0.0294332 lm= -0.0294332 2.64383e-07 -2.25549 lp= -0.0294332 2.64383e-07 -0.845714 r- 9.94824e-05 Found lorentz at 8 0.630159 lm= 0.630159 1.229e-06 -8.5373e-10 lp= 0.630159 1.229e-06 -0.885771 r- 1.15178e-05 Found lorentz at 9 1.32386 lm= 1.32386 3.64662e-06 -2.4478e-15 lp= 1.32386 3.64662e-06 -0.944784 r- 0.000128658 Found lorentz at 10 1.11346 lm= 1.11346 3.30291e-05 -1.83502e-16 lp= 1.11346 3.30291e-05 -0.778518 r- 0.00141419 Found lorentz at 11 1.84709 lm= 1.84709 0.00010155 -6.75727e-17 lp= 1.84709 0.00010155 -0.828373 r- 0.00408633 Found lorentz at 12 2.64879 lm= 2.64879 0.000594019 -1.40822e-17 lp= 2.64879 0.000594025 -0.914617 r- 0.0216494 Q = 7.999999999997017 n0=0.001308816783242498 n1=1.759698801777935e-07 n2=9.022994769513521e-13 n3=0.003847383568802967 n4=0.0004240663922033476 n5=1.63433616970171e-07 n6=2.592354624881001e-12 n7=0.8474172793377389 n8=0.000546377320957444 n9=1.095151775457222e-08 n10=0.00105707576113087 n11=9.519686740037276e-05 n12=5.3303494985811e-09 n13=0.1439633352710895 n14=1.465105709248666e-05 n15=0.001325461951482463 Q is here equal to 7.999999999997017 8.) nd: 8.141048304079906 Norm of Spectral functions:  0: 1.0012  1: 1.0074  2: 1.0350  3: 0.9997  4: 0.9999  5: 1.0000  6: 1.0004  7: 1.0000  8: 0.9981  9: 1.0002 10: 1.0008 11: 0.9988 12: 1.0169 13: 1.0000 14: 1.0014 15: 1.0695  0: 2.1434  1: 5.9976 8.) SelfConsistentStep 8.) Difference between steps: 0.0008222 Missing doping : 0 : 0.0074904 1 : 0.0268801