Sig = Sigma.000 Ac = Ac.inp Delta = None cix = out.cix out = . gloc = gloc.out sig = sig.inp SigOut = Sigma.000 AlocOut = Aloc.imp fin = .fin.0 Ed = [-14.7093,-13.7377] U = 4.5 T = 0.0052 Q = 8 alpha = 0.5 max_diff = 0.001 max_steps = 30 StartLambda = -20 EndLambda = 1 dLambda = 0.1 prt = 1 prtSF = 1 followPeak = -1 MissDopSt = -100 N_ac = 50 dom_ac = 0.5 acore = 0 pcore = 0 renorm_core = 0 renorm = 1 Ocore = 0 2 6 8 51 0 0 v 2.75041 0.249592 3 10 -2.6721 16 18 0 0 15.743 x 13 0.106854 x 14 0.385056 x 15 0.135446 x 16 3.13548 x 17 3.2684 x 20 0.759156 x 21 0.00428481 x 22 1.90485 x 23 1.29617 x 24 0.423946 x 25 0.761895 x 26 0.170815 x 27 0.781062 x 28 3.47601 x 29 0.143441 x 30 3.96438 x 13 9.29554 x 14 5.65472 x 15 2.34893 x 16 0.702628 x 17 1.16736 x 18 2.86163 x 19 3.96881 x 20 1.50514 x 21 0.417573 x 22 4.02689 x 23 5.07826 x 24 4.48394 x 25 9.32003 x 26 0.426842 x 27 0.561072 x 28 21.49 x 29 0.230132 x 30 1 v 1.91839 1.08161 3 12 -2.76672 14 17 0 0 1.83905 x 13 14.8299 x 14 0.272214 x 15 2.54256 x 16 0.900656 x 18 3.14514 x 20 2.21087 x 21 0.663041 x 24 3.6758 x 25 3.73391 x 26 2.25684 x 27 0.0168303 x 28 11.8393 x 29 1.05311 x 30 1.23339 x 13 0.568695 x 14 9.55228 x 15 6.37725 x 16 0.982151 x 17 1.53858 x 18 0.010166 x 20 0.888364 x 21 0.119606 x 22 0.0392025 x 23 8.01541 x 24 0.0136323 x 25 1.83199 x 26 0.894739 x 27 1.29018 x 28 36.4528 x 29 13.2121 x 30 2 v 1.31117 1.68883 3 14 -2.73962 12 14 0 0 0.0538382 x 13 2.08784 x 14 14.9016 x 15 4.2003 x 16 5.25252 x 18 0.219026 x 20 0.0646042 x 24 0.357031 x 26 4.80414 x 27 5.35794 x 28 15.5697 x 29 12.775 x 30 0.0980484 x 13 0.751425 x 14 0.127182 x 15 9.98022 x 16 4.47073 x 18 0.175401 x 20 0.732401 x 21 1.11403 x 24 0.169154 x 25 5.01477 x 26 0.00849673 x 27 0.545921 x 28 39.5131 x 29 25.6555 x 30 3 v 2.63507 0.364935 3 4 -1.564 11 12 0 0 3.09351 x 13 5.69007 x 17 0.524335 x 19 0.071918 x 20 0.024997 x 21 0.287434 x 22 0.329684 x 23 0.465709 x 25 0.010809 x 28 1.25285 x 29 1.70842 x 30 0.112636 x 13 0.986862 x 14 0.0453233 x 17 0.208394 x 20 3.09323 x 21 3.53345 x 22 0.170679 x 23 1.0122 x 25 1.68099 x 27 0.968947 x 28 8.90482 x 29 9.82272 x 30 4 v 2.12903 0.870974 3 10 -1.73769 16 18 0 0 0.0294553 x 13 0.233775 x 14 0.643546 x 15 1.13233 x 16 0.912626 x 17 9.30559 x 20 3.02412 x 21 1.39214 x 22 0.426401 x 23 2.97301 x 24 1.37006 x 25 3.69969 x 26 1.66873 x 27 0.40883 x 28 9.58496 x 29 1.90442 x 30 0.0438436 x 13 0.149367 x 14 0.19797 x 15 0.537216 x 16 0.012536 x 17 5.85386 x 18 0.0449507 x 19 0.0317264 x 20 0.0358194 x 21 0.452856 x 22 0.00182993 x 23 0.270856 x 24 0.6382 x 25 0.395248 x 26 2.89745 x 27 1.30988 x 28 47.652 x 29 10.7646 x 30 5 v 2.02942 0.970584 3 6 -1.66746 13 15 0 0 2.16408 x 13 2.76583 x 14 1.88333 x 17 1.82522 x 19 0.597881 x 20 1.12491 x 21 1.07961 x 22 1.50948 x 23 1.18821 x 25 0.345384 x 27 0.0059466 x 28 5.03159 x 29 4.30201 x 30 0.157758 x 13 0.239439 x 14 1.39006 x 15 0.374029 x 17 0.115164 x 19 0.748002 x 20 0.589202 x 21 1.33853 x 22 0.198031 x 23 0.564214 x 24 0.0521869 x 25 0.0785011 x 27 3.64699 x 28 17.8058 x 29 14.8785 x 30 6 v 1.8888 1.1112 3 4 -1.63363 11 12 0 0 0.13585 x 13 0.979895 x 17 2.70378 x 19 2.94879 x 20 2.66561 x 21 0.387075 x 22 0.098289 x 23 0.135667 x 25 0.82827 x 28 1.61279 x 29 3.94879 x 30 0.00693732 x 13 0.0492875 x 14 0.263782 x 17 0.201466 x 20 0.161871 x 21 0.203183 x 22 0.00182731 x 23 0.110521 x 25 3.94837 x 27 2.48834 x 28 10.8808 x 29 9.23882 x 30 7 v 2.31874 0.681259 3 6 -1.14841 13 14 0 0 5.27581 x 13 1.13293 x 14 1.04771 x 17 1.49752 x 19 0.255825 x 20 0.316967 x 21 0.00124989 x 22 2.58541 x 23 0.457665 x 25 0.0156319 x 27 0.0283981 x 28 6.20853 x 29 3.26389 x 30 0.249966 x 13 2.2045 x 14 1.94656 x 15 0.672916 x 17 0.116169 x 19 0.395945 x 20 1.11791 x 21 0.0590972 x 22 0.00550274 x 23 0.228754 x 24 0.542903 x 25 0.00772072 x 27 30.9376 x 29 5.42685 x 30 8 v 1.73778 1.26222 3 8 -1.36348 15 17 0 0 1.15574 x 13 5.80832 x 14 0.175056 x 15 0.0701256 x 17 0.165195 x 19 1.31607 x 20 0.828678 x 21 0.356667 x 22 0.965508 x 23 0.438711 x 24 1.72792 x 25 0.379818 x 27 0.0566464 x 28 14.7729 x 29 5.88044 x 30 0.135237 x 13 0.00123413 x 14 3.01573 x 15 0.275831 x 16 0.0708374 x 17 0.0519794 x 19 0.0279082 x 20 0.00858571 x 21 0.100268 x 22 0.00448197 x 23 0.605829 x 24 0.0468773 x 25 0.510522 x 26 0.409661 x 27 3.85626 x 28 29.5541 x 29 15.2269 x 30 9 v 1.16351 1.83649 3 8 -1.40717 15 17 0 0 0.250921 x 13 0.931891 x 14 0.329586 x 15 0.226829 x 17 0.173448 x 19 0.458048 x 20 0.00248489 x 21 0.388868 x 22 0.500518 x 23 4.748 x 24 0.0332123 x 25 0.0562204 x 27 0.00886377 x 28 21.225 x 29 9.35803 x 30 0.0340823 x 13 0.0123911 x 14 0.669196 x 15 1.35014 x 16 0.000111741 x 17 0.09589 x 19 0.00154081 x 20 0.322177 x 21 0.0779466 x 22 0.0800371 x 23 0.769708 x 24 0.00962813 x 25 1.16969 x 26 0.00628888 x 27 0.38544 x 28 28.3158 x 29 16.008 x 30 10 v 1.49281 1.50719 3 4 -1.12121 11 12 0 0 0.0403536 x 13 7.09521e-05 x 17 0.0797891 x 19 1.01803 x 20 0.495697 x 21 0.164444 x 22 1.00583 x 23 0.239295 x 25 1.80333 x 28 6.58465 x 29 6.59727 x 30 0.00131567 x 13 0.0204538 x 14 0.0184819 x 17 0.232307 x 20 0.0931113 x 21 0.0169444 x 22 0.0408516 x 23 0.017067 x 25 0.238389 x 27 0.0889048 x 28 11.726 x 29 13.4774 x 30 11 v 1.21783 1.78217 3 10 -1.26524 16 18 0 0 0.102682 x 13 1.29894 x 14 5.20049 x 15 0.359562 x 16 0.136375 x 17 0.000814177 x 20 1.14317 x 21 0.300098 x 22 0.126265 x 23 0.298621 x 24 0.190718 x 25 0.522656 x 26 2.15371 x 27 0.00238122 x 28 24.6077 x 29 11.3775 x 30 0.0250397 x 13 0.0320235 x 14 0.133751 x 15 4.37055 x 16 0.0268835 x 17 1.04788 x 18 0.0252825 x 19 0.194315 x 20 0.0180609 x 21 0.0348985 x 22 0.060731 x 23 0.0656645 x 24 0.116456 x 25 2.1759 x 26 0.037544 x 27 0.132693 x 28 30.2076 x 29 23.473 x 30 12 v 1.09061 1.90939 3 268 -0.44692 18 18 0 0 0.033914 x 13 0.332568 x 14 6.90358 x 15 20.6171 x 16 2.65786 x 17 24.0331 x 18 1.46826 x 19 5.83519 x 20 5.82287 x 21 7.97071 x 22 5.27032 x 23 20.5293 x 24 10.2459 x 25 26.4545 x 26 13.4294 x 27 9.59185 x 28 565.655 x 29 588.864 x 30 0.0188722 x 13 0.15971 x 14 0.501161 x 15 5.77246 x 16 0.0898885 x 17 23.7353 x 18 0.251374 x 19 1.36319 x 20 1.01452 x 21 1.31301 x 22 0.647337 x 23 4.27572 x 24 0.633073 x 25 4.05208 x 26 8.08421 x 27 1.82416 x 28 647.138 x 29 931.408 x 30 13 v 3.32426 0.675745 4 9 -4.41387 17 20 13 13 10.1776 x 31 0.443214 x 32 0.281236 x 33 0.220498 x 34 0.824465 x 35 0.991821 x 37 0.051695 x 38 0.229422 x 39 0.0200039 x 41 1.5086 x 42 0.98289 x 44 1.3933 x 45 1.60476 x 46 1.19168 x 47 0.581257 x 48 3.27178 x 49 0.307221 x 50 3.10044 x 31 7.21722 x 32 5.18187 x 33 1.87931 x 34 3.04549 x 35 2.38015 x 36 2.66197 x 37 0.578185 x 38 0.820314 x 39 0.427066 x 40 0.100308 x 41 0.365739 x 42 13.2903 x 43 0.0252891 x 44 1.69498 x 45 5.31626 x 46 8.8832 x 47 0.437088 x 48 8.03473 x 49 0.477906 x 50 15.743 x 0 1.83905 x 1 0.0538382 x 2 3.09351 x 3 0.0294553 x 4 2.16408 x 5 0.13585 x 6 5.27581 x 7 1.15574 x 8 0.250921 x 9 0.0403536 x 10 0.102682 x 11 0.033914 x 12 3.96438 x 0 1.23339 x 1 0.0980484 x 2 0.112636 x 3 0.0438436 x 4 0.157758 x 5 0.00693732 x 6 0.249966 x 7 0.135237 x 8 0.0340823 x 9 0.00131567 x 10 0.0250397 x 11 0.0188722 x 12 14 v 2.68445 1.31555 4 11 -4.5171 17 19 10 13 1.37886 x 31 10.5634 x 32 0.0709341 x 33 1.58961 x 34 2.3942 x 37 0.831096 x 38 1.49635 x 39 0.264071 x 40 0.297791 x 41 0.0349892 x 42 3.63172 x 43 0.0239803 x 45 1.53813 x 46 3.35741 x 47 1.34411 x 48 5.97399 x 49 1.68016 x 50 1.90212 x 31 0.235135 x 32 6.85536 x 33 6.71096 x 34 0.945014 x 35 0.912226 x 37 2.06928 x 38 1.56309 x 39 0.303775 x 40 0.561235 x 41 4.72819 x 42 0.471505 x 43 2.34715 x 44 3.39938 x 45 2.57278 x 46 0.479963 x 47 0.272269 x 48 21.7925 x 49 15.4065 x 50 0.106854 x 0 14.8299 x 1 2.08784 x 2 0.233775 x 4 2.76583 x 5 1.13293 x 7 5.80832 x 8 0.931891 x 9 1.29894 x 11 0.332568 x 12 9.29554 x 0 0.568695 x 1 0.751425 x 2 0.986862 x 3 0.149367 x 4 0.239439 x 5 0.0492875 x 6 2.2045 x 7 0.00123413 x 8 0.0123911 x 9 0.0204538 x 10 0.0320235 x 11 0.15971 x 12 15 v 2.21625 1.78375 4 13 -4.51554 14 17 8 10 1.83835 x 32 12.0294 x 33 0.411753 x 34 4.17647 x 38 4.23735 x 39 1.17133 x 40 1.80141 x 41 0.542696 x 43 0.137124 x 45 0.0178612 x 46 0.867138 x 47 0.0742795 x 48 9.53256 x 49 12.3509 x 50 0.14604 x 31 1.44914 x 32 0.0163364 x 33 7.21116 x 34 0.649961 x 37 6.47363 x 38 0.977613 x 39 1.12887 x 40 1.07783 x 41 0.325587 x 42 0.150211 x 43 1.17216 x 45 0.683814 x 46 1.72844 x 47 5.35591 x 48 26.1355 x 49 26.1287 x 50 0.385056 x 0 0.272214 x 1 14.9016 x 2 0.643546 x 4 0.175056 x 8 0.329586 x 9 5.20049 x 11 6.90358 x 12 5.65472 x 0 9.55228 x 1 0.127182 x 2 0.19797 x 4 1.39006 x 5 1.94656 x 7 3.01573 x 8 0.669196 x 9 0.133751 x 11 0.501161 x 12 16 v 1.93249 2.06751 4 15 -4.41305 11 14 6 8 1.61083 x 33 13.0529 x 34 4.827 x 38 6.47221 x 40 6.64774 x 41 0.314491 x 43 0.00825725 x 45 0.253947 x 46 0.145489 x 47 3.40133 x 49 24.2783 x 50 0.123259 x 32 0.918746 x 33 0.0078672 x 34 8.16719 x 38 0.525233 x 39 4.06931 x 40 1.15464 x 41 0.995991 x 43 0.06018 x 45 0.945396 x 46 0.698782 x 47 0.312779 x 48 24.2396 x 49 46.7681 x 50 0.135446 x 0 2.54256 x 1 4.2003 x 2 1.13233 x 4 0.359562 x 11 20.6171 x 12 2.34893 x 0 6.37725 x 1 9.98022 x 2 0.537216 x 4 0.275831 x 8 1.35014 x 9 4.37055 x 11 5.77246 x 12 17 v 3.34807 0.651927 4 5 -3.13866 14 15 11 12 3.42743 x 31 0.220283 x 32 0.275481 x 33 0.106238 x 35 0.677873 x 36 3.31214 x 37 0.0193361 x 39 0.00149683 x 41 0.503678 x 42 0.0677769 x 44 0.03712 x 45 0.0524032 x 48 2.24825 x 49 2.3101 x 50 0.308614 x 31 0.990287 x 32 0.00676615 x 33 0.27446 x 34 0.345179 x 35 0.023233 x 37 3.67014 x 39 2.85236 x 41 0.0752892 x 42 0.0962707 x 44 1.08674 x 45 0.340371 x 46 0.30953 x 48 15.992 x 49 10.3691 x 50 3.13548 x 0 5.69007 x 3 0.912626 x 4 1.88333 x 5 0.979895 x 6 1.04771 x 7 0.0701256 x 8 0.226829 x 9 7.09521e-05 x 10 0.136375 x 11 2.65786 x 12 0.702628 x 0 0.982151 x 1 0.0453233 x 3 0.012536 x 4 0.374029 x 5 0.263782 x 6 0.672916 x 7 0.0708374 x 8 0.000111741 x 9 0.0184819 x 10 0.0268835 x 11 0.0898885 x 12 18 v 1.77566 2.22434 4 17 -4.24779 8 10 3 6 0.826499 x 34 10.8182 x 38 21.5797 x 40 0.16448 x 43 0.0133791 x 46 0.265691 x 47 2.5338 x 49 35.6119 x 50 0.048751 x 33 0.408964 x 34 0.0349978 x 38 8.7861 x 40 0.314941 x 41 1.50088 x 43 0.0228965 x 46 0.788084 x 47 12.3091 x 49 73.9713 x 50 0.900656 x 1 5.25252 x 2 24.0331 x 12 1.16736 x 0 1.53858 x 1 4.47073 x 2 5.85386 x 4 1.04788 x 11 23.7353 x 12 19 v 2.81252 1.18748 4 3 -3.47807 10 11 8 8 0.816396 x 31 0.500511 x 32 1.91155 x 35 1.3011 x 37 0.016977 x 39 0.0503431 x 42 0.0640044 x 44 0.113037 x 48 1.92483 x 49 2.86367 x 50 0.0165518 x 31 0.379162 x 32 0.484564 x 33 1.34341 x 37 2.39787 x 39 0.555811 x 41 0.629676 x 42 0.0227199 x 45 1.11415 x 48 10.1383 x 49 3.35528 x 50 0.524335 x 3 1.82522 x 5 2.70378 x 6 1.49752 x 7 0.165195 x 8 0.173448 x 9 0.0797891 x 10 1.46826 x 12 2.86163 x 0 0.0449507 x 4 0.115164 x 5 0.116169 x 7 0.0519794 x 8 0.09589 x 9 0.0252825 x 11 0.251374 x 12 20 v 3.16008 0.839919 4 9 -3.04559 17 20 13 13 0.0975757 x 31 0.342051 x 32 0.0134338 x 33 1.40982 x 34 1.78076 x 35 5.22853 x 37 0.000206068 x 38 0.94838 x 39 0.237127 x 41 2.44747 x 42 0.543958 x 44 0.291895 x 45 2.51526 x 46 0.478893 x 47 0.330883 x 48 5.14745 x 49 3.74544 x 50 0.000270077 x 31 0.00941141 x 32 0.258519 x 33 0.0136871 x 34 0.361253 x 35 0.173742 x 36 0.0766716 x 37 2.94804 x 38 1.57235 x 39 3.66262 x 40 0.0214909 x 41 0.142581 x 42 0.351366 x 43 1.42681 x 44 0.378449 x 45 0.546752 x 46 0.178927 x 47 1.68625 x 48 24.3608 x 49 26.2706 x 50 3.2684 x 0 3.14514 x 1 0.219026 x 2 0.071918 x 3 9.30559 x 4 0.597881 x 5 2.94879 x 6 0.255825 x 7 1.31607 x 8 0.458048 x 9 1.01803 x 10 0.000814177 x 11 5.83519 x 12 3.96881 x 0 0.010166 x 1 0.175401 x 2 0.208394 x 3 0.0317264 x 4 0.748002 x 5 0.201466 x 6 0.395945 x 7 0.0279082 x 8 0.00154081 x 9 0.232307 x 10 0.194315 x 11 1.36319 x 12 21 v 2.63137 1.36863 4 7 -3.38507 15 18 12 13 0.197451 x 31 1.59822 x 32 1.42461 x 33 0.35749 x 34 3.3854 x 35 1.34062 x 36 0.25436 x 37 2.04378 x 39 0.232337 x 41 0.0220137 x 44 0.738762 x 45 0.296754 x 46 0.0217595 x 48 4.43997 x 49 7.22683 x 50 0.119029 x 31 0.0285247 x 32 0.415948 x 33 0.916059 x 34 0.0269968 x 35 0.427147 x 36 0.903808 x 37 1.80195 x 38 0.0129255 x 39 4.19191 x 41 0.17932 x 42 0.670498 x 44 0.713118 x 45 0.00261293 x 46 0.0175982 x 47 0.0514582 x 48 16.4224 x 49 19.5181 x 50 0.759156 x 0 2.21087 x 1 0.024997 x 3 3.02412 x 4 1.12491 x 5 2.66561 x 6 0.316967 x 7 0.828678 x 8 0.00248489 x 9 0.495697 x 10 1.14317 x 11 5.82287 x 12 1.50514 x 0 0.888364 x 1 0.732401 x 2 3.09323 x 3 0.0358194 x 4 0.589202 x 5 0.161871 x 6 1.11791 x 7 0.00858571 x 8 0.322177 x 9 0.0931113 x 10 0.0180609 x 11 1.01452 x 12 22 v 2.46652 1.53348 4 5 -3.37495 14 15 11 12 0.00193698 x 31 0.0440686 x 32 0.22281 x 33 1.01778 x 35 2.17316 x 36 0.941969 x 37 2.54589 x 39 2.13071 x 41 0.0497473 x 42 0.00177804 x 44 0.164859 x 45 0.0212658 x 48 5.76235 x 49 2.58903 x 50 0.0029565 x 31 0.00684191 x 32 0.0895279 x 33 0.367018 x 34 0.375638 x 35 0.0721582 x 37 0.245593 x 39 3.26275 x 41 0.0122829 x 42 0.555806 x 44 0.0565204 x 45 0.00667015 x 46 0.000809746 x 48 10.1695 x 49 17.1085 x 50 0.00428481 x 0 0.287434 x 3 1.39214 x 4 1.07961 x 5 0.387075 x 6 0.00124989 x 7 0.356667 x 8 0.388868 x 9 0.164444 x 10 0.300098 x 11 7.97071 x 12 0.417573 x 0 0.119606 x 1 3.53345 x 3 0.452856 x 4 1.33853 x 5 0.203183 x 6 0.0590972 x 7 0.100268 x 8 0.0779466 x 9 0.0169444 x 10 0.0348985 x 11 1.31301 x 12 23 v 2.94451 1.05549 4 5 -2.96744 14 15 11 12 1.8576 x 31 1.75087 x 32 0.115774 x 33 1.58462 x 35 0.663902 x 36 0.224628 x 37 0.000816967 x 39 0.173725 x 41 0.591241 x 42 0.213738 x 44 0.0949893 x 45 0.00442466 x 48 3.54767 x 49 4.45337 x 50 0.188682 x 31 1.33179 x 32 2.54377 x 33 1.10287 x 34 0.588602 x 35 0.922365 x 37 0.00310817 x 39 0.0477684 x 41 1.04165 x 42 0.224383 x 44 0.549214 x 45 1.1968 x 46 0.0907051 x 48 16.3156 x 49 8.57523 x 50 1.90485 x 0 0.329684 x 3 0.426401 x 4 1.50948 x 5 0.098289 x 6 2.58541 x 7 0.965508 x 8 0.500518 x 9 1.00583 x 10 0.126265 x 11 5.27032 x 12 4.02689 x 0 0.0392025 x 1 0.170679 x 3 0.00182993 x 4 0.198031 x 5 0.00182731 x 6 0.00550274 x 7 0.00448197 x 8 0.0800371 x 9 0.0408516 x 10 0.060731 x 11 0.647337 x 12 24 v 2.3855 1.6145 4 13 -3.32098 14 17 8 10 0.0205719 x 32 0.0596064 x 33 0.0017767 x 34 0.00066676 x 38 0.0406124 x 39 0.03201 x 40 3.99104e-05 x 41 3.81864 x 43 11.5486 x 45 2.01368 x 46 4.48862 x 47 0.0114591 x 48 19.1905 x 49 5.76163 x 50 6.80679e-05 x 31 0.0401105 x 32 0.0143686 x 33 0.0101286 x 34 0.0212771 x 37 0.0124174 x 38 0.0197207 x 39 0.002 x 40 0.0090403 x 41 0.0542182 x 42 0.200028 x 43 3.28908 x 45 0.832989 x 46 0.027882 x 47 0.195282 x 48 50.7524 x 49 27.5302 x 50 1.29617 x 0 0.663041 x 1 0.0646042 x 2 2.97301 x 4 0.438711 x 8 4.748 x 9 0.298621 x 11 20.5293 x 12 5.07826 x 0 8.01541 x 1 1.11403 x 2 0.270856 x 4 0.564214 x 5 0.228754 x 7 0.605829 x 8 0.769708 x 9 0.0656645 x 11 4.27572 x 12 25 v 2.87916 1.12084 4 7 -2.93464 16 18 12 13 2.09332 x 31 2.61444 x 32 0.510249 x 33 0.00689128 x 34 0.243049 x 35 0.478162 x 36 1.09069 x 37 0.00706841 x 39 0.234318 x 41 0.00341677 x 42 0.368476 x 44 0.41036 x 45 0.0035188 x 46 0.125337 x 48 9.17432 x 49 4.48219 x 50 0.423657 x 31 0.134533 x 32 1.42695 x 33 2.35651 x 34 0.109547 x 35 0.150186 x 36 0.24622 x 37 0.980658 x 38 1.23368 x 39 1.42868 x 41 0.238006 x 42 0.846606 x 44 1.07846 x 45 0.0112798 x 46 1.04795 x 47 0.099765 x 48 21.2447 x 49 15.0966 x 50 0.423946 x 0 3.6758 x 1 0.465709 x 3 1.37006 x 4 1.18821 x 5 0.135667 x 6 0.457665 x 7 1.72792 x 8 0.0332123 x 9 0.239295 x 10 0.190718 x 11 10.2459 x 12 4.48394 x 0 0.0136323 x 1 0.169154 x 2 1.0122 x 3 0.6382 x 4 0.0521869 x 5 0.110521 x 6 0.542903 x 7 0.0468773 x 8 0.00962813 x 9 0.017067 x 10 0.116456 x 11 0.633073 x 12 26 v 2.36865 1.63135 4 15 -3.1956 11 14 6 8 0.0784487 x 33 0.20875 x 34 0.00438449 x 38 0.0171536 x 40 0.172511 x 41 7.09536 x 43 1.90798e-05 x 45 10.9037 x 46 7.17514 x 47 12.1029 x 49 16.7119 x 50 0.0063122 x 32 0.0417866 x 33 0.0242014 x 34 0.0769154 x 38 0.0339853 x 39 0.0578231 x 40 0.0457627 x 41 0.463728 x 43 0.110204 x 45 3.25343 x 46 0.582909 x 47 0.0901856 x 48 38.9236 x 49 51.8187 x 50 0.761895 x 0 3.73391 x 1 0.357031 x 2 3.69969 x 4 0.522656 x 11 26.4545 x 12 9.32003 x 0 1.83199 x 1 5.01477 x 2 0.395248 x 4 0.510522 x 8 1.16969 x 9 2.1759 x 11 4.05208 x 12 27 v 2.29825 1.70175 4 11 -3.23917 17 19 10 13 0.0120138 x 31 0.0915839 x 32 0.287433 x 33 0.0539579 x 34 1.01929 x 37 1.68613 x 38 5.23183 x 39 2.41025 x 40 5.67734 x 41 0.0451407 x 42 0.610572 x 43 0.0648027 x 45 0.0168863 x 46 0.417147 x 47 0.768268 x 48 12.5664 x 49 9.76012 x 50 0.00498356 x 31 0.002158 x 32 0.00017521 x 33 0.24577 x 34 0.12438 x 35 0.231796 x 37 0.0571632 x 38 0.0388683 x 39 6.30823 x 40 1.93287 x 41 0.0604791 x 42 0.34111 x 43 0.0179859 x 44 0.222865 x 45 0.0423743 x 46 0.0751608 x 47 6.56193e-05 x 48 20.3151 x 49 39.2591 x 50 0.170815 x 0 2.25684 x 1 4.80414 x 2 1.66873 x 4 0.345384 x 5 0.0156319 x 7 0.379818 x 8 0.0562204 x 9 2.15371 x 11 13.4294 x 12 0.426842 x 0 0.894739 x 1 0.00849673 x 2 1.68099 x 3 2.89745 x 4 0.0785011 x 5 3.94837 x 6 0.00772072 x 7 0.409661 x 8 0.00628888 x 9 0.238389 x 10 0.037544 x 11 8.08421 x 12 28 v 2.10013 1.89987 4 9 -3.37491 17 20 13 12 0.083331 x 31 0.96982 x 32 2.72945 x 33 0.997513 x 34 0.1795 x 35 0.859939 x 37 0.0313345 x 38 2.70356 x 39 0.00655963 x 41 3.06812 x 42 0.436779 x 44 0.284028 x 45 0.443134 x 46 0.14214 x 47 0.240186 x 48 7.50877 x 49 14.4146 x 50 0.0439833 x 31 0.16388 x 32 0.0470173 x 33 1.06877 x 34 0.0299424 x 35 0.0165663 x 36 0.0109122 x 37 0.118929 x 38 0.255901 x 39 0.247727 x 40 1.41509 x 41 0.00758924 x 42 0.465879 x 43 0.337791 x 44 0.387011 x 45 0.0748753 x 46 0.528445 x 47 1.36335 x 48 20.8842 x 49 27.4331 x 50 0.781062 x 0 0.0168303 x 1 5.35794 x 2 0.010809 x 3 0.40883 x 4 0.0059466 x 5 0.82827 x 6 0.0283981 x 7 0.0566464 x 8 0.00886377 x 9 1.80333 x 10 0.00238122 x 11 9.59185 x 12 0.561072 x 0 1.29018 x 1 0.545921 x 2 0.968947 x 3 1.30988 x 4 3.64699 x 5 2.48834 x 6 3.85626 x 8 0.38544 x 9 0.0889048 x 10 0.132693 x 11 1.82416 x 12 29 v 1.6685 2.3315 4 412 -1.94533 20 20 13 13 3.22213 x 31 5.57544 x 32 7.68298 x 33 8.19953 x 34 1.99645 x 35 1.09281 x 36 2.3883 x 37 9.61478 x 38 3.31337 x 39 5.92609 x 40 6.78535 x 41 9.66256 x 42 38.2195 x 43 6.83851 x 44 12.7473 x 45 11.6531 x 46 21.6007 x 47 12.0198 x 48 582.483 x 49 1033.55 x 50 0.322842 x 31 0.796617 x 32 1.98007 x 33 4.65327 x 34 0.405916 x 35 0.300586 x 36 0.676653 x 37 8.02777 x 38 1.89385 x 39 9.86869 x 40 3.80764 x 41 1.44426 x 42 4.25852 x 43 0.846628 x 44 3.51392 x 45 4.88128 x 46 7.21022 x 47 4.98026 x 48 598.725 x 49 1676.82 x 50 3.47601 x 0 11.8393 x 1 15.5697 x 2 1.25285 x 3 9.58496 x 4 5.03159 x 5 1.61279 x 6 6.20853 x 7 14.7729 x 8 21.225 x 9 6.58465 x 10 24.6077 x 11 565.655 x 12 21.49 x 0 36.4528 x 1 39.5131 x 2 8.90482 x 3 47.652 x 4 17.8058 x 5 10.8808 x 6 30.9376 x 7 29.5541 x 8 28.3158 x 9 11.726 x 10 30.2076 x 11 647.138 x 12 30 v 1.49696 2.50304 4 435 -0.688942 20 20 13 13 0.040857 x 31 0.45449 x 32 2.19513 x 33 4.57351 x 34 0.539906 x 35 0.100627 x 36 1.1397 x 37 2.4611 x 38 1.44873 x 39 1.15355 x 40 1.90907 x 41 2.31711 x 42 1.28612 x 43 2.93522 x 44 4.01589 x 45 7.35091 x 46 5.82074 x 47 7.06273 x 48 333.518 x 49 1578.5 x 50 0.0129982 x 31 0.0577266 x 32 0.0811616 x 33 0.837752 x 34 0.0721867 x 35 0.0244392 x 36 0.100454 x 37 4.14931 x 38 0.451924 x 39 6.11111 x 40 0.891821 x 41 0.41254 x 42 1.82662 x 43 0.129551 x 44 0.303313 x 45 0.644114 x 46 1.80136 x 47 0.868783 x 48 258.913 x 49 2113.48 x 50 0.143441 x 0 1.05311 x 1 12.775 x 2 1.70842 x 3 1.90442 x 4 4.30201 x 5 3.94879 x 6 3.26389 x 7 5.88044 x 8 9.35803 x 9 6.59727 x 10 11.3775 x 11 588.864 x 12 0.230132 x 0 13.2121 x 1 25.6555 x 2 9.82272 x 3 10.7646 x 4 14.8785 x 5 9.23882 x 6 5.42685 x 7 15.2269 x 8 16.008 x 9 13.4774 x 10 23.473 x 11 931.408 x 12 31 v 3.9011 1.0989 5 6 -6.13493 0 0 13 15 10.1776 x 13 1.37886 x 14 3.42743 x 17 0.816396 x 19 0.0975757 x 20 0.197451 x 21 0.00193698 x 22 1.8576 x 23 2.09332 x 25 0.0120138 x 27 0.083331 x 28 3.22213 x 29 0.040857 x 30 3.10044 x 13 1.90212 x 14 0.14604 x 15 0.308614 x 17 0.0165518 x 19 0.000270077 x 20 0.119029 x 21 0.0029565 x 22 0.188682 x 23 6.80679e-05 x 24 0.423657 x 25 0.00498356 x 27 0.0439833 x 28 0.322842 x 29 0.0129982 x 30 32 v 3.37844 1.62156 5 8 -6.2688 0 0 15 17 0.443214 x 13 10.5634 x 14 1.83835 x 15 0.220283 x 17 0.500511 x 19 0.342051 x 20 1.59822 x 21 0.0440686 x 22 1.75087 x 23 0.0205719 x 24 2.61444 x 25 0.0915839 x 27 0.96982 x 28 5.57544 x 29 0.45449 x 30 7.21722 x 13 0.235135 x 14 1.44914 x 15 0.123259 x 16 0.990287 x 17 0.379162 x 19 0.00941141 x 20 0.0285247 x 21 0.00684191 x 22 1.33179 x 23 0.0401105 x 24 0.134533 x 25 0.0063122 x 26 0.002158 x 27 0.16388 x 28 0.796617 x 29 0.0577266 x 30 33 v 2.9588 2.0412 5 10 -6.32516 0 0 16 18 0.281236 x 13 0.0709341 x 14 12.0294 x 15 1.61083 x 16 0.275481 x 17 0.0134338 x 20 1.42461 x 21 0.22281 x 22 0.115774 x 23 0.0596064 x 24 0.510249 x 25 0.0784487 x 26 0.287433 x 27 2.72945 x 28 7.68298 x 29 2.19513 x 30 5.18187 x 13 6.85536 x 14 0.0163364 x 15 0.918746 x 16 0.00676615 x 17 0.048751 x 18 0.484564 x 19 0.258519 x 20 0.415948 x 21 0.0895279 x 22 2.54377 x 23 0.0143686 x 24 1.42695 x 25 0.0417866 x 26 0.00017521 x 27 0.0470173 x 28 1.98007 x 29 0.0811616 x 30 34 v 2.65923 2.34077 5 12 -6.30586 0 0 14 17 0.220498 x 13 1.58961 x 14 0.411753 x 15 13.0529 x 16 0.826499 x 18 1.40982 x 20 0.35749 x 21 0.0017767 x 24 0.00689128 x 25 0.20875 x 26 0.0539579 x 27 0.997513 x 28 8.19953 x 29 4.57351 x 30 1.87931 x 13 6.71096 x 14 7.21116 x 15 0.0078672 x 16 0.27446 x 17 0.408964 x 18 0.0136871 x 20 0.916059 x 21 0.367018 x 22 1.10287 x 23 0.0101286 x 24 2.35651 x 25 0.0242014 x 26 0.24577 x 27 1.06877 x 28 4.65327 x 29 0.837752 x 30 35 v 3.39244 1.60756 5 4 -5.76505 0 0 11 12 0.824465 x 13 0.106238 x 17 1.91155 x 19 1.78076 x 20 3.3854 x 21 1.01778 x 22 1.58462 x 23 0.243049 x 25 0.1795 x 28 1.99645 x 29 0.539906 x 30 3.04549 x 13 0.945014 x 14 0.345179 x 17 0.361253 x 20 0.0269968 x 21 0.375638 x 22 0.588602 x 23 0.109547 x 25 0.12438 x 27 0.0299424 x 28 0.405916 x 29 0.0721867 x 30 36 v 3.26358 1.73642 5 2 -5.85668 0 0 7 7 0.677873 x 17 1.34062 x 21 2.17316 x 22 0.663902 x 23 0.478162 x 25 1.09281 x 29 0.100627 x 30 2.38015 x 13 0.173742 x 20 0.427147 x 21 0.150186 x 25 0.0165663 x 28 0.300586 x 29 0.0244392 x 30 37 v 3.52445 1.47555 5 6 -5.63358 0 0 13 15 0.991821 x 13 2.3942 x 14 3.31214 x 17 1.3011 x 19 5.22853 x 20 0.25436 x 21 0.941969 x 22 0.224628 x 23 1.09069 x 25 1.01929 x 27 0.859939 x 28 2.3883 x 29 1.1397 x 30 2.66197 x 13 0.912226 x 14 0.649961 x 15 0.023233 x 17 1.34341 x 19 0.0766716 x 20 0.903808 x 21 0.0721582 x 22 0.922365 x 23 0.0212771 x 24 0.24622 x 25 0.231796 x 27 0.0109122 x 28 0.676653 x 29 0.100454 x 30 38 v 2.46452 2.53548 5 14 -6.22654 0 0 12 14 0.051695 x 13 0.831096 x 14 4.17647 x 15 4.827 x 16 10.8182 x 18 0.000206068 x 20 0.00066676 x 24 0.00438449 x 26 1.68613 x 27 0.0313345 x 28 9.61478 x 29 2.4611 x 30 0.578185 x 13 2.06928 x 14 6.47363 x 15 8.16719 x 16 0.0349978 x 18 2.94804 x 20 1.80195 x 21 0.0124174 x 24 0.980658 x 25 0.0769154 x 26 0.0571632 x 27 0.118929 x 28 8.02777 x 29 4.14931 x 30 39 v 3.03545 1.96455 5 8 -5.78241 0 0 15 17 0.229422 x 13 1.49635 x 14 4.23735 x 15 0.0193361 x 17 0.016977 x 19 0.94838 x 20 2.04378 x 21 2.54589 x 22 0.000816967 x 23 0.0406124 x 24 0.00706841 x 25 5.23183 x 27 2.70356 x 28 3.31337 x 29 1.44873 x 30 0.820314 x 13 1.56309 x 14 0.977613 x 15 0.525233 x 16 3.67014 x 17 2.39787 x 19 1.57235 x 20 0.0129255 x 21 0.245593 x 22 0.00310817 x 23 0.0197207 x 24 1.23368 x 25 0.0339853 x 26 0.0388683 x 27 0.255901 x 28 1.89385 x 29 0.451924 x 30 40 v 2.43915 2.56085 5 16 -6.05209 0 0 9 12 0.264071 x 14 1.17133 x 15 6.47221 x 16 21.5797 x 18 0.03201 x 24 0.0171536 x 26 2.41025 x 27 5.92609 x 29 1.15355 x 30 0.427066 x 13 0.303775 x 14 1.12887 x 15 4.06931 x 16 8.7861 x 18 3.66262 x 20 0.002 x 24 0.0578231 x 26 6.30823 x 27 0.247727 x 28 9.86869 x 29 6.11111 x 30 41 v 2.63277 2.36723 5 10 -5.83062 0 0 16 18 0.0200039 x 13 0.297791 x 14 1.80141 x 15 6.64774 x 16 0.00149683 x 17 0.237127 x 20 0.232337 x 21 2.13071 x 22 0.173725 x 23 3.99104e-05 x 24 0.234318 x 25 0.172511 x 26 5.67734 x 27 0.00655963 x 28 6.78535 x 29 1.90907 x 30 0.100308 x 13 0.561235 x 14 1.07783 x 15 1.15464 x 16 2.85236 x 17 0.314941 x 18 0.555811 x 19 0.0214909 x 20 4.19191 x 21 3.26275 x 22 0.0477684 x 23 0.0090403 x 24 1.42868 x 25 0.0457627 x 26 1.93287 x 27 1.41509 x 28 3.80764 x 29 0.891821 x 30 42 v 3.38041 1.61959 5 6 -4.96448 0 0 12 15 1.5086 x 13 0.0349892 x 14 0.503678 x 17 0.0503431 x 19 2.44747 x 20 0.0497473 x 22 0.591241 x 23 0.00341677 x 25 0.0451407 x 27 3.06812 x 28 9.66256 x 29 2.31711 x 30 0.365739 x 13 4.72819 x 14 0.325587 x 15 0.0752892 x 17 0.629676 x 19 0.142581 x 20 0.17932 x 21 0.0122829 x 22 1.04165 x 23 0.0542182 x 24 0.238006 x 25 0.0604791 x 27 0.00758924 x 28 1.44426 x 29 0.41254 x 30 43 v 3.48022 1.51978 5 16 -4.7293 0 0 9 12 3.63172 x 14 0.542696 x 15 0.314491 x 16 0.16448 x 18 3.81864 x 24 7.09536 x 26 0.610572 x 27 38.2195 x 29 1.28612 x 30 13.2903 x 13 0.471505 x 14 0.150211 x 15 0.995991 x 16 1.50088 x 18 0.351366 x 20 0.200028 x 24 0.463728 x 26 0.34111 x 27 0.465879 x 28 4.25852 x 29 1.82662 x 30 44 v 3.11879 1.88121 5 4 -4.9711 0 0 11 12 0.98289 x 13 0.0677769 x 17 0.0640044 x 19 0.543958 x 20 0.0220137 x 21 0.00177804 x 22 0.213738 x 23 0.368476 x 25 0.436779 x 28 6.83851 x 29 2.93522 x 30 0.0252891 x 13 2.34715 x 14 0.0962707 x 17 1.42681 x 20 0.670498 x 21 0.555806 x 22 0.224383 x 23 0.846606 x 25 0.0179859 x 27 0.337791 x 28 0.846628 x 29 0.129551 x 30 45 v 3.19615 1.80385 5 10 -4.71827 0 0 16 17 1.3933 x 13 0.0239803 x 14 0.137124 x 15 0.00825725 x 16 0.03712 x 17 0.291895 x 20 0.738762 x 21 0.164859 x 22 0.0949893 x 23 11.5486 x 24 0.41036 x 25 1.90798e-05 x 26 0.0648027 x 27 0.284028 x 28 12.7473 x 29 4.01589 x 30 1.69498 x 13 3.39938 x 14 1.17216 x 15 0.06018 x 16 1.08674 x 17 0.0227199 x 19 0.378449 x 20 0.713118 x 21 0.0565204 x 22 0.549214 x 23 3.28908 x 24 1.07846 x 25 0.110204 x 26 0.222865 x 27 0.387011 x 28 3.51392 x 29 0.303313 x 30 46 v 3.21876 1.78124 5 12 -4.68566 0 0 14 17 1.60476 x 13 1.53813 x 14 0.0178612 x 15 0.253947 x 16 0.0133791 x 18 2.51526 x 20 0.296754 x 21 2.01368 x 24 0.0035188 x 25 10.9037 x 26 0.0168863 x 27 0.443134 x 28 11.6531 x 29 7.35091 x 30 5.31626 x 13 2.57278 x 14 0.683814 x 15 0.945396 x 16 0.340371 x 17 0.0228965 x 18 0.546752 x 20 0.00261293 x 21 0.00667015 x 22 1.1968 x 23 0.832989 x 24 0.0112798 x 25 3.25343 x 26 0.0423743 x 27 0.0748753 x 28 4.88128 x 29 0.644114 x 30 47 v 3.2822 1.7178 5 14 -4.63596 0 0 12 14 1.19168 x 13 3.35741 x 14 0.867138 x 15 0.145489 x 16 0.265691 x 18 0.478893 x 20 4.48862 x 24 7.17514 x 26 0.417147 x 27 0.14214 x 28 21.6007 x 29 5.82074 x 30 8.8832 x 13 0.479963 x 14 1.72844 x 15 0.698782 x 16 0.788084 x 18 0.178927 x 20 0.0175982 x 21 0.027882 x 24 1.04795 x 25 0.582909 x 26 0.0751608 x 27 0.528445 x 28 7.21022 x 29 1.80136 x 30 48 v 2.8464 2.1536 5 8 -4.94111 0 0 15 17 0.581257 x 13 1.34411 x 14 0.0742795 x 15 0.0524032 x 17 0.113037 x 19 0.330883 x 20 0.0217595 x 21 0.0212658 x 22 0.00442466 x 23 0.0114591 x 24 0.125337 x 25 0.768268 x 27 0.240186 x 28 12.0198 x 29 7.06273 x 30 0.437088 x 13 0.272269 x 14 5.35591 x 15 0.312779 x 16 0.30953 x 17 1.11415 x 19 1.68625 x 20 0.0514582 x 21 0.000809746 x 22 0.0907051 x 23 0.195282 x 24 0.099765 x 25 0.0901856 x 26 6.56193e-05 x 27 1.36335 x 28 4.98026 x 29 0.868783 x 30 49 v 2.30705 2.69295 5 444 -3.58589 0 0 18 18 3.27178 x 13 5.97399 x 14 9.53256 x 15 3.40133 x 16 2.24825 x 17 2.5338 x 18 1.92483 x 19 5.14745 x 20 4.43997 x 21 5.76235 x 22 3.54767 x 23 19.1905 x 24 9.17432 x 25 12.1029 x 26 12.5664 x 27 7.50877 x 28 582.483 x 29 333.518 x 30 8.03473 x 13 21.7925 x 14 26.1355 x 15 24.2396 x 16 15.992 x 17 12.3091 x 18 10.1383 x 19 24.3608 x 20 16.4224 x 21 10.1695 x 22 16.3156 x 23 50.7524 x 24 21.2447 x 25 38.9236 x 26 20.3151 x 27 20.8842 x 28 598.725 x 29 258.913 x 30 50 v 1.98319 3.01681 51392 -2.20734 0 0 18 18 0.307221 x 13 1.68016 x 14 12.3509 x 15 24.2783 x 16 2.3101 x 17 35.6119 x 18 2.86367 x 19 3.74544 x 20 7.22683 x 21 2.58903 x 22 4.45337 x 23 5.76163 x 24 4.48219 x 25 16.7119 x 26 9.76012 x 27 14.4146 x 28 1033.55 x 29 1578.5 x 30 0.477906 x 13 15.4065 x 14 26.1287 x 15 46.7681 x 16 10.3691 x 17 73.9713 x 18 3.35528 x 19 26.2706 x 20 19.5181 x 21 17.1085 x 22 8.57523 x 23 27.5302 x 24 15.0966 x 25 51.8187 x 26 39.2591 x 27 27.4331 x 28 1676.82 x 29 2113.48 x 30 # OCA diagrams: 3 0 13 31 13 0 0 12.0805 0 13 31 13 1 0 5.13962 0 13 31 13 1 1 -0.0135727 Ac.inp: Number of entries: 500 Ac.inp: Number of columns: 3 Ac.inp: Peak-position 0 Premaknil na 0 ************* Parameters **************** U = 4.5 Ed0 = -14.7093 Ed1 = -13.7377 T = 0.0052 N0 = 6 N1 = 8 valence state0 = 2.75041 0.249592 with Energy0 = -33.0576 valence state1 = 1.91839 1.08161 with Energy1 = -32.3437 valence state2 = 1.31117 1.68883 with Energy2 = -31.7266 valence state3 = 2.63507 0.364935 with Energy3 = -31.8374 valence state4 = 2.12903 0.870974 with Energy4 = -31.5194 valence state5 = 2.02942 0.970584 with Energy5 = -31.3524 valence state6 = 1.8888 1.1112 with Energy6 = -31.1819 valence state7 = 2.31874 0.681259 with Energy7 = -31.1144 valence state8 = 1.73778 1.26222 with Energy8 = -30.765 valence state9 = 1.16351 1.83649 with Energy9 = -30.2507 valence state10 = 1.49281 1.50719 with Energy10 = -30.2847 valence state11 = 1.21783 1.78217 with Energy11 = -30.1615 valence state12 = 1.09061 1.90939 with Energy12 = -29.2196 valence state13 = 3.32426 0.675745 with Energy13 = -35.5946 valence state14 = 2.68445 1.31555 with Energy14 = -35.0761 valence state15 = 2.21625 1.78375 with Energy15 = -34.6196 valence state16 = 1.93249 2.06751 with Energy16 = -34.2414 valence state17 = 3.34807 0.651927 with Energy17 = -34.3424 valence state18 = 1.77566 2.22434 with Energy18 = -33.9238 valence state19 = 2.81252 1.18748 with Energy19 = -34.1615 valence state20 = 3.16008 0.839919 with Energy20 = -34.0667 valence state21 = 2.63137 1.36863 with Energy21 = -33.8925 valence state22 = 2.46652 1.53348 with Energy22 = -33.7222 valence state23 = 2.94451 1.05549 with Energy23 = -33.7791 valence state24 = 2.3855 1.6145 with Energy24 = -33.5895 valence state25 = 2.87916 1.12084 with Energy25 = -33.6828 valence state26 = 2.36865 1.63135 with Energy26 = -33.4478 valence state27 = 2.29825 1.70175 with Energy27 = -33.4229 valence state28 = 2.10013 1.89987 with Energy28 = -33.3662 valence state29 = 1.6685 2.3315 with Energy29 = -31.5172 valence state30 = 1.49696 2.50304 with Energy30 = -30.0941 valence state31 = 3.9011 1.0989 with Energy31 = -33.6138 valence state32 = 3.37844 1.62156 with Energy32 = -33.2398 valence state33 = 2.9588 2.0412 with Energy33 = -32.8884 valence state34 = 2.65923 2.34077 with Energy34 = -32.578 valence state35 = 3.39244 1.60756 with Energy35 = -32.7496 valence state36 = 3.26358 1.73642 with Energy36 = -32.7161 valence state37 = 3.52445 1.47555 with Energy37 = -32.7464 valence state38 = 2.46452 2.53548 with Energy38 = -32.3095 valence state39 = 3.03545 1.96455 with Energy39 = -32.4201 valence state40 = 2.43915 2.56085 with Energy40 = -32.1104 valence state41 = 2.63277 2.36723 with Energy41 = -32.0771 valence state42 = 3.38041 1.61959 with Energy42 = -31.9374 valence state43 = 3.48022 1.51978 with Energy43 = -31.7992 valence state44 = 3.11879 1.88121 with Energy44 = -31.6898 valence state45 = 3.19615 1.80385 with Energy45 = -31.5121 valence state46 = 3.21876 1.78124 with Energy46 = -31.5015 valence state47 = 3.2822 1.7178 with Energy47 = -31.5134 valence state48 = 2.8464 2.1536 with Energy48 = -31.3951 valence state49 = 2.30705 2.69295 with Energy49 = -29.5158 valence state50 = 1.98319 3.01681 with Energy50 = -27.8226 ***************************************** Sigma.000: Number of entries: 772 Sigma.000: Number of columns: 103 Sigma.000: Peak-position 0.000152141 Frequencies divided in the following way: 0 0 - 46 1 46 - 100 2 100 - 161 3 161 - 229 4 229 - 304 5 304 - 386 6 386 - 468 7 468 - 543 8 543 - 611 9 611 - 672 10 672 - 726 11 726 - 772 1.) KramarsKronig 1.) DeterminSpectralFunctions ; lambda = -36.59367440482685 Q = 7.999999999991682 n0=0.05463345892772225 n1=0.005852353341313023 n2=0.0002684802643073638 n3=0.00497470071917526 n4=0.000126891345915269 n5=0.003082329951820233 n6=0.0001909215721951652 n7=0.006861172909251653 n8=0.00146630343192712 n9=0.000284978701575283 n10=4.409687885707244e-05 n11=0.000134765348203193 n12=0.0001326235453293525 n13=0.8135194893838433 n14=0.00489984773101518 n15=0.001395880637811552 n16=0.0004177368860561382 n17=0.00142099219683576 n18=0.00014950055455375 n19=0.0005681573034784424 n20=0.0007635939139893802 n21=0.0005497965015281107 n22=0.0002151914006210843 n23=0.0009641074860894473 n24=0.0005267543863124208 n25=0.0008977360342632925 n26=0.0007392190651942654 n27=0.0001300220829801408 n28=0.0002480230365584685 n29=0.002151897072573912 n30=0.0003022029054103577 n31=0.03247711410075263 n32=0.01128630843549559 n33=0.006298138541773544 n34=0.002020728422779932 n35=0.004118282971827931 n36=0.002563913218696527 n37=0.00382690116622482 n38=0.0005371686885334037 n39=0.0009331049258604709 n40=0.0003314577525154282 n41=0.0001010361942480692 n42=0.001246700103910071 n43=0.009140650227419039 n44=0.000590296836661946 n45=0.001806758904625605 n46=0.004154367909812694 n47=0.006145356927116067 n48=0.0005577343978358688 n49=0.003701373781886938 n50=0.0002493809753162579 Q is here equal to 7.999999999991682 1.) nd: 4.014033697545702 Norm of Spectral functions:  0: 1.0007  1: 1.0024  2: 0.9965  3: 0.9982  4: 0.9977  5: 0.9972  6: 0.9988  7: 0.9954  8: 0.9978  9: 0.9991 10: 0.9996 11: 0.9995 12: 1.0001 13: 1.0014 14: 1.0000 15: 1.0000 16: 1.0000 17: 1.0001 18: 1.0001 19: 1.0001 20: 1.0001 21: 1.0001 22: 1.0002 23: 1.0002 24: 1.0002 25: 1.0003 26: 1.0003 27: 1.0003 28: 1.0004 29: 1.0586 30: 0.9990 31: 1.0006 32: 1.0005 33: 1.0008 34: 1.0010 35: 1.0008 36: 1.0008 37: 1.0007 38: 1.0009 39: 1.0007 40: 1.0002 41: 1.0003 42: 1.0000 43: 1.0002 44: 0.9992 45: 0.9992 46: 0.9995 47: 0.9994 48: 0.9988 49: 0.9997 50: 1.0002  0: 3.2644  1: 0.7496 1.) SelfConsistentStep 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 1.) Difference between steps: 0.000245 Time needed: 14.45 average time per frequency: 0.1762 Frequencies divided in the following way: 0 0 - 40 1 40 - 81 2 81 - 122 3 122 - 164 4 164 - 207 5 207 - 250 6 250 - 293 7 293 - 336 8 336 - 378 9 378 - 419 10 419 - 460 11 460 - 500 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 Time needed: 2.86 average time per frequency: 0.06651