Sig = Sigma.000 Ac = Ac.inp Delta = None cix = out.cix out = . gloc = gloc.out sig = sig.inp susc = Susc.out Ed = [-60.282,-60.5779,0,0] 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 = -60.282 Ed1 = -60.5779 T = 0.03 N0 = 4 N1 = 6 valence state0 = 2 5 with Energy0 = -261.754 valence state1 = 3 4 with Energy1 = -261.458 valence state2 = 4 3 with Energy2 = -261.162 valence state3 = 1 6 with Energy3 = -259.95 valence state4 = 2 5 with Energy4 = -259.654 valence state5 = 3 4 with Energy5 = -259.358 valence state6 = 4 3 with Energy6 = -259.062 valence state7 = 2 6 with Energy7 = -267.032 valence state8 = 3 5 with Energy8 = -266.736 valence state9 = 4 4 with Energy9 = -266.44 valence state10 = 2 6 with Energy10 = -265.632 valence state11 = 3 5 with Energy11 = -265.336 valence state12 = 4 4 with Energy12 = -265.04 valence state13 = 3 6 with Energy13 = -264.714 valence state14 = 4 5 with Energy14 = -264.418 valence state15 = 4 6 with Energy15 = -255.096 ***************************************** Sigma.000: Number of entries: 447 Sigma.000: Number of columns: 33 Sigma.000: Peak-position 0 1.) DeterminSpectralFunctions ; lambda = -268.1647197035474 -1.133193129147401 Found lorentz at 7 -0.0294417 lm= -0.0294417 2.53374e-07 -2.25151 lp= -0.0294417 2.53374e-07 -0.843983 r- 9.55352e-05 Found lorentz at 8 0.640019 lm= 0.640019 1.22226e-06 -7.7934e-10 lp= 0.640019 1.22226e-06 -0.886035 r- 1.14511e-05 Found lorentz at 9 1.34136 lm= 1.34136 3.48411e-06 -2.56424e-15 lp= 1.34136 3.48411e-06 -0.945204 r- 0.00012287 Found lorentz at 10 1.11117 lm= 1.11117 3.02706e-05 -1.99397e-16 lp= 1.11117 3.02706e-05 -0.776908 r- 0.00129876 Found lorentz at 11 1.85751 lm= 1.85751 9.37708e-05 -7.34898e-17 lp= 1.85751 9.37708e-05 -0.830132 r- 0.0037653 Found lorentz at 12 2.66722 lm= 2.66722 0.000551842 -1.52047e-17 lp= 2.66722 0.000551847 -0.916007 r- 0.0200817 Q = 8.000000000009983 n0=0.001288264008600291 n1=1.749511922182846e-07 n2=8.821195415779191e-13 n3=0.003877840805296076 n4=0.0004167267591266891 n5=1.628576690771309e-07 n6=2.539979825740231e-12 n7=0.8459201894322961 n8=0.0005431778917774486 n9=1.078754672920481e-08 n10=0.001060102290014261 n11=9.507562117153136e-05 n12=5.260787571318707e-09 n13=0.1454334282985701 n14=1.458640791569191e-05 n15=0.001350254624613952 Q is here equal to 8.000000000009983 1.) nd: 8.142565354570408 Norm of Spectral functions:  0: 1.0011  1: 0.9968  2: 0.9836  3: 0.9997  4: 1.0000  5: 0.9996  6: 0.9998  7: 1.0000  8: 0.9985  9: 0.9999 10: 1.0006 11: 1.0003 12: 1.0008 13: 1.0000 14: 1.0015 15: 1.3819  0: 2.1449  1: 5.9976 1.) SelfConsistentStep 1.) Difference between steps: 0.01272 2.) DeterminSpectralFunctions ; lambda = -268.1673583203122 -1.135831745912185 Found lorentz at 7 -0.0294362 lm= -0.0294362 2.53307e-07 -2.25036 lp= -0.0294362 2.53307e-07 -0.843707 r- 9.55416e-05 Found lorentz at 8 0.641116 lm= 0.641116 1.23242e-06 -7.7087e-10 lp= 0.641116 1.23242e-06 -0.885852 r- 1.15487e-05 Found lorentz at 9 1.34387 lm= 1.34387 3.50707e-06 -2.54742e-15 lp= 1.34387 3.50707e-06 -0.945198 r- 0.00012368 Found lorentz at 10 1.11076 lm= 1.11076 3.01864e-05 -1.99778e-16 lp= 1.11076 3.01864e-05 -0.776568 r- 0.00129572 Found lorentz at 11 1.85824 lm= 1.85824 9.39173e-05 -7.33304e-17 lp= 1.85824 9.39173e-05 -0.829879 r- 0.00377233 Found lorentz at 12 2.66963 lm= 2.66963 0.00056026 -1.49756e-17 lp= 2.66963 0.000560265 -0.915988 r- 0.0203884 Q = 8.000000000004096 n0=0.001287163728514282 n1=1.747561121662952e-07 n2=8.817046072418887e-13 n3=0.003876785765481582 n4=0.0004163317866361969 n5=1.626728320896509e-07 n6=2.53885111565076e-12 n7=0.8454899882545382 n8=0.0005430947567205847 n9=1.079134488798089e-08 n10=0.001060271934814843 n11=9.500986594300691e-05 n12=5.261647506981424e-09 n13=0.1458629278690148 n14=1.461476315591886e-05 n15=0.001353457789823203 Q is here equal to 8.000000000004096 2.) nd: 8.143003839498821 Norm of Spectral functions:  0: 1.0010  1: 0.9978  2: 0.9780  3: 0.9997  4: 1.0000  5: 0.9996  6: 0.9999  7: 1.0000  8: 0.9986  9: 1.0000 10: 1.0005 11: 1.0004 12: 1.0017 13: 1.0000 14: 1.0015 15: 1.3442  0: 2.1454  1: 5.9976 2.) SelfConsistentStep 2.) Difference between steps: 0.007763 3.) DeterminSpectralFunctions ; lambda = -268.1691857595148 -1.137659185114842 Found lorentz at 7 -0.0294419 lm= -0.0294419 2.53512e-07 -2.25013 lp= -0.0294419 2.53512e-07 -0.843462 r- 9.56467e-05 Found lorentz at 8 0.642016 lm= 0.642016 1.24236e-06 -7.63972e-10 lp= 0.642016 1.24236e-06 -0.885746 r- 1.16433e-05 Found lorentz at 9 1.34562 lm= 1.34562 3.52236e-06 -2.53638e-15 lp= 1.34562 3.52236e-06 -0.9452 r- 0.000124219 Found lorentz at 10 1.11035 lm= 1.11035 3.01555e-05 -1.99803e-16 lp= 1.11035 3.01555e-05 -0.776218 r- 0.00129497 Found lorentz at 11 1.85891 lm= 1.85891 9.41937e-05 -7.30889e-17 lp= 1.85891 9.41937e-05 -0.82973 r- 0.00378411 Found lorentz at 12 2.67135 lm= 2.67135 0.000566374 -1.48143e-17 lp= 2.67135 0.000566379 -0.915998 r- 0.0206107 Q = 7.999999999996393 n0=0.001286133000389406 n1=1.746256687909479e-07 n2=8.815623505013506e-13 n3=0.00387508657316167 n4=0.0004159855239376118 n5=1.625419813368885e-07 n6=2.538416150557561e-12 n7=0.8454058097032612 n8=0.0005433685812270885 n9=1.079665983493556e-08 n10=0.001061200035701246 n11=9.505397217980293e-05 n12=5.264118508750429e-09 n13=0.1459454544196962 n14=1.46303568072724e-05 n15=0.001356924601790104 Q is here equal to 7.999999999996393 3.) nd: 8.143096391711525 Norm of Spectral functions:  0: 1.0010  1: 0.9988  2: 0.9751  3: 0.9997  4: 1.0000  5: 0.9995  6: 1.0001  7: 1.0000  8: 0.9986  9: 1.0000 10: 1.0005 11: 1.0004 12: 1.0025 13: 1.0000 14: 1.0015 15: 1.3117  0: 2.1455  1: 5.9976 3.) SelfConsistentStep 3.) Difference between steps: 0.005114 4.) DeterminSpectralFunctions ; lambda = -268.1702198501025 -1.138693275702508 Found lorentz at 7 -0.0294492 lm= -0.0294492 2.53596e-07 -2.25031 lp= -0.0294492 2.53596e-07 -0.843325 r- 9.56938e-05 Found lorentz at 8 0.642565 lm= 0.642565 1.24698e-06 -7.59781e-10 lp= 0.642565 1.24698e-06 -0.885702 r- 1.16871e-05 Found lorentz at 9 1.34663 lm= 1.34663 3.52729e-06 -2.53288e-15 lp= 1.34663 3.52729e-06 -0.94521 r- 0.000124392 Found lorentz at 10 1.11013 lm= 1.11013 3.01369e-05 -1.99826e-16 lp= 1.11013 3.01369e-05 -0.776024 r- 0.0012945 Found lorentz at 11 1.85936 lm= 1.85936 9.42951e-05 -7.30011e-17 lp= 1.85936 9.42952e-05 -0.829678 r- 0.00378843 Found lorentz at 12 2.67237 lm= 2.67237 0.000569071 -1.47449e-17 lp= 2.67237 0.000569077 -0.916027 r- 0.0207082 Q = 8.000000000000155 n0=0.001285453679002125 n1=1.745856761357748e-07 n2=8.81652330415765e-13 n3=0.003873884608042207 n4=0.0004157614350311273 n5=1.624988293439634e-07 n6=2.538656476105308e-12 n7=0.8454734884772691 n8=0.0005435548186038973 n9=1.080161066730064e-08 n10=0.001061872906557805 n11=9.509194427345927e-05 n12=5.266704332157003e-09 n13=0.1458766067290579 n14=1.464301307893308e-05 n15=0.001359289232842532 Q is here equal to 8.000000000000155 4.) nd: 8.143034391397819 Norm of Spectral functions:  0: 1.0010  1: 0.9995  2: 0.9738  3: 0.9997  4: 1.0000  5: 0.9995  6: 1.0002  7: 1.0000  8: 0.9986  9: 1.0000 10: 1.0005 11: 1.0005 12: 1.0031 13: 1.0000 14: 1.0015 15: 1.2909  0: 2.1454  1: 5.9976 4.) SelfConsistentStep 4.) Difference between steps: 0.003529 5.) DeterminSpectralFunctions ; lambda = -268.1706435957382 -1.139117021338166 Found lorentz at 7 -0.0294539 lm= -0.0294539 2.53488e-07 -2.25058 lp= -0.0294539 2.53488e-07 -0.843294 r- 9.56565e-05 Found lorentz at 8 0.642789 lm= 0.642789 1.246e-06 -7.58076e-10 lp= 0.642789 1.246e-06 -0.885699 r- 1.16781e-05 Found lorentz at 9 1.34706 lm= 1.34706 3.52404e-06 -2.5353e-15 lp= 1.34706 3.52404e-06 -0.945224 r- 0.000124275 Found lorentz at 10 1.11008 lm= 1.11008 3.01173e-05 -1.99941e-16 lp= 1.11008 3.01173e-05 -0.775996 r- 0.00129371 Found lorentz at 11 1.85958 lm= 1.85958 9.41769e-05 -7.30956e-17 lp= 1.85958 9.4177e-05 -0.829694 r- 0.0037836 Found lorentz at 12 2.67285 lm= 2.67285 0.000568968 -1.47487e-17 lp= 2.67285 0.000568974 -0.916061 r- 0.0207037 Q = 7.99999999999938 n0=0.001285128834061874 n1=1.745906399656947e-07 n2=8.818796744998846e-13 n3=0.003873395122100674 n4=0.0004156524733668914 n5=1.625005854132899e-07 n6=2.539314566779106e-12 n7=0.8455743833101802 n8=0.0005435764247596183 n9=1.080684347376603e-08 n10=0.001062107678427853 n11=9.509644827869118e-05 n12=5.269491978260791e-09 n13=0.1457752078246001 n14=1.465322913779892e-05 n15=0.001360445484104456 Q is here equal to 7.99999999999938 5.) nd: 8.142936238497771 Norm of Spectral functions:  0: 1.0010  1: 0.9999  2: 0.9731  3: 0.9997  4: 1.0000  5: 0.9995  6: 1.0002  7: 1.0000  8: 0.9986  9: 1.0000 10: 1.0005 11: 1.0005 12: 1.0034 13: 1.0000 14: 1.0015 15: 1.2806  0: 2.1453  1: 5.9976 5.) SelfConsistentStep 5.) Difference between steps: 0.002637 6.) DeterminSpectralFunctions ; lambda = -268.1706892440093 -1.139162669609277 Found lorentz at 7 -0.0294554 lm= -0.0294554 2.53255e-07 -2.25079 lp= -0.0294554 2.53255e-07 -0.843332 r- 9.55644e-05 Found lorentz at 8 0.642795 lm= 0.642795 1.24146e-06 -7.58051e-10 lp= 0.642795 1.24146e-06 -0.885717 r- 1.16353e-05 Found lorentz at 9 1.34713 lm= 1.34713 3.51638e-06 -2.54089e-15 lp= 1.34713 3.51638e-06 -0.945238 r- 0.000124003 Found lorentz at 10 1.11016 lm= 1.11016 3.00961e-05 -2.00126e-16 lp= 1.11016 3.00961e-05 -0.77608 r- 0.00129265 Found lorentz at 11 1.85963 lm= 1.85963 9.39169e-05 -7.33068e-17 lp= 1.85963 9.39169e-05 -0.829744 r- 0.00377293 Found lorentz at 12 2.67298 lm= 2.67298 0.000567279 -1.47937e-17 lp= 2.67298 0.000567285 -0.916095 r- 0.0206415 Q = 7.999999999995119 n0=0.001285050341686789 n1=1.746009214854851e-07 n2=8.821997956915253e-13 n3=0.003873433835050915 n4=0.0004156215371910031 n5=1.625079596427573e-07 n6=2.540256072879236e-12 n7=0.8456548996278977 n8=0.0005434906127617894 n9=1.081221557561078e-08 n10=0.001062036811327958 n11=9.507591755590174e-05 n12=5.272328818043996e-09 n13=0.1456946159674109 n14=1.466011721262626e-05 n15=0.001360762035056344 Q is here equal to 7.999999999995119 6.) nd: 8.142856357328503 Norm of Spectral functions:  0: 1.0010  1: 1.0002  2: 0.9728  3: 0.9997  4: 1.0000  5: 0.9995  6: 1.0003  7: 1.0000  8: 0.9986  9: 1.0000 10: 1.0005 11: 1.0005 12: 1.0035 13: 1.0000 14: 1.0015 15: 1.2771  0: 2.1452  1: 5.9976 6.) SelfConsistentStep 6.) Difference between steps: 0.001931 7.) DeterminSpectralFunctions ; lambda = -268.1705548805588 -1.139028306158821 Found lorentz at 7 -0.0294546 lm= -0.0294546 2.52989e-07 -2.25092 lp= -0.0294546 2.52989e-07 -0.8434 r- 9.54561e-05 Found lorentz at 8 0.64269 lm= 0.64269 1.23566e-06 -7.58867e-10 lp= 0.64269 1.23566e-06 -0.88574 r- 1.15806e-05 Found lorentz at 9 1.34702 lm= 1.34702 3.50766e-06 -2.54727e-15 lp= 1.34702 3.50766e-06 -0.945249 r- 0.000123694 Found lorentz at 10 1.11029 lm= 1.11029 3.00762e-05 -2.00326e-16 lp= 1.11029 3.00762e-05 -0.776211 r- 0.00129158 Found lorentz at 11 1.85959 lm= 1.85959 9.36144e-05 -7.35537e-17 lp= 1.85959 9.36145e-05 -0.829801 r- 0.00376052 Found lorentz at 12 2.67293 lm= 2.67293 0.000565094 -1.48518e-17 lp= 2.67293 0.0005651 -0.916121 r- 0.0205614 Q = 7.999999999995604 n0=0.00128509999291537 n1=1.745991389518437e-07 n2=8.825765741216544e-13 n3=0.003873736221671008 n4=0.0004156308975474027 n5=1.625033006058826e-07 n6=2.541368569713587e-12 n7=0.8457021708850507 n8=0.0005433712073233628 n9=1.081701442426957e-08 n10=0.001061839432381528 n11=9.504602165467011e-05 n12=5.274841446450528e-09 n13=0.1456474349454639 n14=1.466363727456648e-05 n15=0.001360653560998113 Q is here equal to 7.999999999995604 7.) nd: 8.142808601486738 Norm of Spectral functions:  0: 1.0010  1: 1.0004  2: 0.9727  3: 0.9997  4: 1.0000  5: 0.9995  6: 1.0003  7: 1.0000  8: 0.9986  9: 1.0000 10: 1.0005 11: 1.0005 12: 1.0035 13: 1.0000 14: 1.0015 15: 1.2772  0: 2.1452  1: 5.9976 7.) SelfConsistentStep 7.) Difference between steps: 0.001343 8.) DeterminSpectralFunctions ; lambda = -268.1703720077521 -1.138845433352117 Found lorentz at 7 -0.0294529 lm= -0.0294529 2.52752e-07 -2.25097 lp= -0.0294529 2.52752e-07 -0.84347 r- 9.53589e-05 Found lorentz at 8 0.642553 lm= 0.642553 1.23025e-06 -7.59916e-10 lp= 0.642553 1.23025e-06 -0.885761 r- 1.15296e-05 Found lorentz at 9 1.34686 lm= 1.34686 3.49997e-06 -2.55291e-15 lp= 1.34686 3.49997e-06 -0.945257 r- 0.000123422 Found lorentz at 10 1.11042 lm= 1.11042 3.00602e-05 -2.005e-16 lp= 1.11042 3.00602e-05 -0.776341 r- 0.00129068 Found lorentz at 11 1.85951 lm= 1.85951 9.33414e-05 -7.37775e-17 lp= 1.85951 9.33415e-05 -0.82985 r- 0.00374933 Found lorentz at 12 2.67281 lm= 2.67281 0.000563107 -1.49048e-17 lp= 2.67281 0.000563112 -0.916139 r- 0.0204887 Q = 8.000000000003178 n0=0.001285191944526812 n1=1.745843609030844e-07 n2=8.8296387110653e-13 n3=0.003874099170579043 n4=0.0004156539374238197 n5=1.624855110499185e-07 n6=2.542512971075461e-12 n7=0.8457220696110981 n8=0.0005432663429443496 n9=1.082062713164417e-08 n10=0.001061639619604698 n11=9.501820685144514e-05 n12=5.276727349979927e-09 n13=0.1456276295681052 n14=1.466457756558201e-05 n15=0.001360413850648796 Q is here equal to 8.000000000003178 8.) nd: 8.142787839721141 Norm of Spectral functions:  0: 1.0010  1: 1.0005  2: 0.9726  3: 0.9997  4: 1.0000  5: 0.9995  6: 1.0003  7: 1.0000  8: 0.9986  9: 1.0000 10: 1.0005 11: 1.0005 12: 1.0034 13: 1.0000 14: 1.0015 15: 1.2785  0: 2.1451  1: 5.9976 8.) SelfConsistentStep 8.) Difference between steps: 0.0008895 Missing doping : 0 : 0.00743513 1 : 0.0248708