Cu+ CORE VALENCE 3d POPULATION 18.000000000 10.000000000 sinth/l J0 TOT J0 CORE J0 VAL 0.00 28.000000000 18.000000000 1.000000000 0.05 27.662695363 17.896514396 0.976618097 0.10 26.710642396 17.593209306 0.911743309 0.15 25.294580561 17.110514918 0.818406564 0.20 23.594654853 16.479314903 0.711533995 0.25 21.770172672 15.736976778 0.603319589 0.30 19.939256033 14.923066978 0.501618905 0.35 18.180193448 14.075501378 0.410469207 0.40 16.540606949 13.227632217 0.331297473 0.45 15.046515818 12.406471218 0.264004460 0.50 13.709077315 11.631994193 0.207708312 0.55 12.529235594 10.917312653 0.161192294 0.60 11.500976954 10.269435097 0.123154186 0.65 10.613715344 9.690350403 0.092336494 0.70 9.854102840 9.178216307 0.067588653 0.75 9.207415536 8.728500556 0.047891498 0.80 8.658596766 8.334983300 0.032361347 0.85 8.193013266 7.990578212 0.020243505 0.90 7.796971655 7.687964273 0.010900738 0.95 7.458039765 7.420041592 0.003799817 1.00 7.165214617 7.180235867 -0.001502125 1.05 6.908974825 6.962680138 -0.005370531 1.10 6.681250143 6.762302113 -0.008105197 1.15 6.475335179 6.574842385 -0.009950721 1.20 6.285768796 6.396824906 -0.011105611 1.25 6.108195610 6.225496803 -0.011730119 1.30 5.939221614 6.058750680 -0.011952907 1.35 5.776272351 5.895039092 -0.011876674 1.40 5.617459189 5.733288051 -0.011582886 1.45 5.461457028 5.572814131 -0.011135710 1.50 5.307395179 5.413248048 -0.010585287 1.55 5.154761961 5.254466279 -0.009970432 1.60 5.003322770 5.096531373 -0.009320860 1.65 4.853050871 4.939640980 -0.008659011 1.70 4.704069840 4.784085182 -0.008001534 1.75 4.556606439 4.630211495 -0.007360506 1.80 4.410952660 4.478396739 -0.006744408 1.85 4.267435689 4.329024940 -0.006158925 1.90 4.126394624 4.182470432 -0.005607581 1.95 3.988162863 4.039085361 -0.005092250 2.00 3.853055198 3.899190856 -0.004613566 2.05 3.721358766 3.763071214 -0.004171245 2.10 3.593327114 3.630970509 -0.003764340 2.15 3.469176734 3.503091129 -0.003391440 2.20 3.349085543 3.379593802 -0.003050826 2.25 3.233192853 3.260598761 -0.002740591 2.30 3.121600442 3.146187721 -0.002458728 2.35 3.014374444 3.036406454 -0.002203201 2.40 2.911547784 2.931267718 -0.001971993 2.45 2.813122974 2.830754423 -0.001763145 2.50 2.719075107 2.734822868 -0.001574776 2.55 2.629354927 2.643405979 -0.001405105 2.60 2.543891881 2.556416460 -0.001252458 2.65 2.462597080 2.473749804 -0.001115272 2.70 2.385366127 2.395287132 -0.000992101 2.75 2.312081769 2.320897835 -0.000881607 2.80 2.242616358 2.250441994 -0.000782564 2.85 2.176834100 2.183772590 -0.000693849 2.90 2.114593096 2.120737484 -0.000614439 2.95 2.055747177 2.061181189 -0.000543401 3.00 2.000147528 2.004946437 -0.000479891 3.05 1.947644121 1.951875542 -0.000423142 3.10 1.898086961 1.901811590 -0.000372463 3.15 1.851327168 1.854599449 -0.000327228 3.20 1.807217889 1.810086635 -0.000286875 3.25 1.765615070 1.768124023 -0.000250895 3.30 1.726378100 1.728566441 -0.000218834 3.35 1.689370332 1.691273141 -0.000190281 3.40 1.654459495 1.656108174 -0.000164868 3.45 1.621518019 1.622940664 -0.000142264 3.50 1.590423271 1.591645015 -0.000122174 3.55 1.561057718 1.562101039 -0.000104332 3.60 1.533309029 1.534194025 -0.000088500 3.65 1.507070126 1.507814762 -0.000074464 3.70 1.482239175 1.482859505 -0.000062033 3.75 1.458719552 1.459229923 -0.000051037 3.80 1.436419769 1.436832996 -0.000041323 3.85 1.415253370 1.415580897 -0.000032753 3.90 1.395138810 1.395390854 -0.000025204 3.95 1.375999311 1.376184993 -0.000018568 4.00 1.357762706 1.357890166 -0.000012746 4.05 1.340361278 1.340437773 -0.000007650 4.10 1.323731577 1.323763580 -0.000003200 4.15 1.307814244 1.307807525 0.000000672 4.20 1.292553832 1.292513530 0.000004030 4.25 1.277898618 1.277829309 0.000006931 4.30 1.263800423 1.263706178 0.000009424 4.35 1.250214427 1.250098867 0.000011556 4.40 1.237098997 1.236965338 0.000013366 4.45 1.224415507 1.224266605 0.000014890 4.50 1.212128172 1.211966560 0.000016161 4.55 1.200203884 1.200031804 0.000017208 4.60 1.188612048 1.188431485 0.000018056 4.65 1.177324436 1.177137145 0.000018729 4.70 1.166315038 1.166122564 0.000019247 4.75 1.155559918 1.155363624 0.000019629 4.80 1.145037086 1.144838168 0.000019892 4.85 1.134726365 1.134525872 0.000020049 4.90 1.124609273 1.124408122 0.000020115 4.95 1.114668907 1.114467898 0.000020101 5.00 1.104889834 1.104689660 0.000020017 5.05 1.095257986 1.095059249 0.000019874 5.10 1.085760566 1.085563782 0.000019678 5.15 1.076385955 1.076191567 0.000019439 5.20 1.067123624 1.066932008 0.000019162 5.25 1.057964055 1.057775529 0.000018853 5.30 1.048898664 1.048713493 0.000018517 5.35 1.039919729 1.039738132 0.000018160 5.40 1.031020325 1.030842479 0.000017785 5.45 1.022194259 1.022020304 0.000017395 5.50 1.013436011 1.013266057 0.000016995 5.55 1.004740683 1.004574810 0.000016587 5.60 0.996103944 0.995942208 0.000016174 5.65 0.987521985 0.987364419 0.000015757 5.70 0.978991475 0.978838093 0.000015338 5.75 0.970509516 0.970360316 0.000014920 5.80 0.962073608 0.961928574 0.000014503 5.85 0.953681616 0.953540716 0.000014090 5.90 0.945331729 0.945194924 0.000013681 5.95 0.937022438 0.936889677 0.000013276 6.00 0.928752503 0.928623728 0.000012877 6.05 0.920520925 0.920396073 0.000012485 6.10 0.912326930 0.912205929 0.000012100 6.15 0.904169935 0.904052711 0.000011722 6.20 0.896049539 0.895936012 0.000011353 6.25 0.887965493 0.887855583 0.000010991 6.30 0.879917695 0.879811316 0.000010638 6.35 0.871906158 0.871803227 0.000010293 6.40 0.863931013 0.863831440 0.000009957 6.45 0.855992478 0.855896178 0.000009630 6.50 0.848090862 0.847997746 0.000009312 6.55 0.840226539 0.840136519 0.000009002 6.60 0.832399949 0.832312936 0.000008701 6.65 0.824611580 0.824527487 0.000008409 6.70 0.816861964 0.816780707 0.000008126 6.75 0.809151670 0.809073162 0.000007851 6.80 0.801481291 0.801405450 0.000007584 6.85 0.793851448 0.793778188 0.000007326 6.90 0.786262766 0.786192010 0.000007076 6.95 0.778715898 0.778647561 0.000006834 7.00 0.771211478 0.771145490 0.000006599 7.05 0.763750170 0.763686447 0.000006372 7.10 0.756332605 0.756271080 0.000006153 7.15 0.748959436 0.748900031 0.000005941 7.20 0.741631286 0.741573931 0.000005735 7.25 0.734348773 0.734293403 0.000005537 7.30 0.727112513 0.727059052 0.000005346 7.35 0.719923072 0.719871469 0.000005160 7.40 0.712781050 0.712731225 0.000004982 7.45 0.705686963 0.705638873 0.000004809 7.50 0.698641371 0.698594943 0.000004643 7.55 0.691644764 0.691599942 0.000004482 7.60 0.684697619 0.684654358 0.000004326 7.65 0.677800429 0.677758652 0.000004178 7.70 0.670953576 0.670913261 0.000004032 7.75 0.664157529 0.664118597 0.000003893 7.80 0.657412632 0.657375048 0.000003758 7.85 0.650719246 0.650682973 0.000003627 7.90 0.644077753 0.644042709 0.000003504 7.95 0.637488374 0.637454565 0.000003381 8.00 0.630951485 0.630918825 0.000003266 8.05 0.624467290 0.624435749 0.000003154 8.10 0.618036000 0.618005570 0.000003043 8.15 0.611657922 0.611628498 0.000002942 8.20 0.605333100 0.605304716 0.000002838 8.25 0.599061797 0.599034384 0.000002741 8.30 0.592844146 0.592817637 0.000002651 8.35 0.586680137 0.586654588 0.000002555 8.40 0.580570049 0.580545326 0.000002472 8.45 0.574513802 0.574489920 0.000002388 8.50 0.568511434 0.568488415 0.000002302 8.55 0.562563150 0.562540836 0.000002231 8.60 0.556668698 0.556647187 0.000002151 8.65 0.550828212 0.550807451 0.000002076 8.70 0.545041738 0.545021591 0.000002015 8.75 0.539308930 0.539289552 0.000001938 8.80 0.533630010 0.533611261 0.000001875 8.85 0.528004828 0.527986628 0.000001820 8.90 0.522433008 0.522415545 0.000001746 8.95 0.516914838 0.516897887 0.000001695 9.00 0.511449961 0.511433514 0.000001645 9.05 0.506038017 0.506022272 0.000001574 9.10 0.500679329 0.500663989 0.000001534 9.15 0.495373353 0.495358481 0.000001487 9.20 0.490119749 0.490105549 0.000001420 9.25 0.484918877 0.484904983 0.000001389 9.30 0.479770026 0.479756560 0.000001347 9.35 0.474672854 0.474660045 0.000001281 9.40 0.469627781 0.469615191 0.000001259 9.45 0.464633960 0.464621743 0.000001222 9.50 0.459690987 0.459679433 0.000001155 9.55 0.454799386 0.454787983 0.000001140 9.60 0.449958222 0.449947108 0.000001111 9.65 0.445166935 0.445156512 0.000001042 9.70 0.440426202 0.440415892 0.000001031 9.75 0.435735084 0.435724936 0.000001015 9.80 0.431092746 0.431083327 0.000000942 9.85 0.426500024 0.426490738 0.000000929 9.90 0.421956140 0.421946840 0.000000930 9.95 0.417459850 0.417451294 0.000000856 10.00 0.413012062 0.413003756 0.000000831 ------------------------------------------------------- Cu2+ CORE VALENCE 3d POPULATION 18.000000000 9.000000000 sinth/l J0 TOT J0 CORE J0 VAL 0.00 27.000000000 18.000000000 1.000000000 0.05 26.726004947 17.898312050 0.980854766 0.10 25.938931139 17.600026144 0.926545000 0.15 24.732437916 17.124559826 0.845319788 0.20 23.232087056 16.501426395 0.747851185 0.25 21.566389146 15.766609657 0.644419943 0.30 19.846488661 14.958570498 0.543102018 0.35 18.157341272 14.114562896 0.449197597 0.40 16.557469331 13.267747324 0.365524667 0.45 15.082968261 12.445334479 0.293070420 0.50 13.752622431 11.667756793 0.231651738 0.55 12.572602443 10.948700812 0.180433514 0.60 11.540282967 10.295754141 0.138280981 0.65 10.647197589 9.711412290 0.103976144 0.70 9.881281787 9.194227886 0.076339322 0.75 9.228554161 8.739941971 0.054290243 0.80 8.674353659 8.342495899 0.036873084 0.85 8.204222458 7.994872186 0.023261141 0.90 7.804505920 7.689749404 0.012750724 0.95 7.462729374 7.419980125 0.004749917 1.00 7.167802973 7.178914206 -0.001234581 1.05 6.910098359 6.960595236 -0.005610764 1.10 6.681433727 6.759858479 -0.008713861 1.15 6.474997001 6.572356190 -0.010817688 1.20 6.285230528 6.394532347 -0.012144647 1.25 6.107695068 6.223564634 -0.012874396 1.30 5.938926081 6.057287420 -0.013151260 1.35 5.776291447 5.894105951 -0.013090500 1.40 5.617856628 5.732908979 -0.012783595 1.45 5.462260969 5.572984698 -0.012302637 1.50 5.308607064 5.413943036 -0.011703997 1.55 5.156363875 5.255646002 -0.011031347 1.60 5.005283446 5.098146809 -0.010318151 1.65 4.855330476 4.941637837 -0.009589707 1.70 4.706623721 4.786407051 -0.008864814 1.75 4.559387984 4.632802215 -0.008157137 1.80 4.413915428 4.481202123 -0.007476299 1.85 4.270534944 4.331993977 -0.006828781 1.90 4.129588390 4.185556069 -0.006218631 1.95 3.991412605 4.042244959 -0.005648039 2.00 3.856326211 3.902386396 -0.005117798 2.05 3.724620341 3.766269312 -0.004627663 2.10 3.596552538 3.634142297 -0.004176640 2.15 3.472343175 3.506212036 -0.003763207 2.20 3.352173851 3.382643277 -0.003385492 2.25 3.236187305 3.263559948 -0.003041405 2.30 3.124488457 3.149047128 -0.002728741 2.35 3.017146281 3.039153599 -0.002445258 2.40 2.914196238 2.933894798 -0.002188729 2.45 2.815643081 2.833255986 -0.001956989 2.50 2.721463856 2.737195506 -0.001747961 2.55 2.631610996 2.645648041 -0.001559672 2.60 2.546015385 2.558527791 -0.001390267 2.65 2.464589345 2.475731505 -0.001238018 2.70 2.387229486 2.397141347 -0.001101318 2.75 2.313819376 2.322627558 -0.000978687 2.80 2.244232024 2.252050900 -0.000868764 2.85 2.178332148 2.185264883 -0.000770304 2.90 2.115978236 2.122117772 -0.000682171 2.95 2.057024396 2.062454368 -0.000603330 3.00 2.001321995 2.006117596 -0.000532845 3.05 1.948721107 1.952949882 -0.000469864 3.10 1.899071774 1.902794351 -0.000413620 3.15 1.852225092 1.855495858 -0.000363419 3.20 1.808034138 1.810901855 -0.000318635 3.25 1.766354755 1.768863114 -0.000278707 3.30 1.727046194 1.729234332 -0.000243126 3.35 1.689971647 1.691874604 -0.000211440 3.40 1.654998666 1.656647804 -0.000183238 3.45 1.621999489 1.623422870 -0.000158153 3.50 1.590851281 1.592074007 -0.000135859 3.55 1.561436304 1.562480824 -0.000116058 3.60 1.533642021 1.534528405 -0.000098487 3.65 1.507361143 1.508107332 -0.000082910 3.70 1.482491632 1.483113658 -0.000069114 3.75 1.458936661 1.459448848 -0.000056910 3.80 1.436604544 1.437019689 -0.000046127 3.85 1.415408635 1.415738164 -0.000036614 3.90 1.395267203 1.395521318 -0.000028235 3.95 1.376103293 1.376291101 -0.000020868 4.00 1.357844570 1.357974197 -0.000014403 4.05 1.340423153 1.340501846 -0.000008744 4.10 1.323775440 1.323809660 -0.000003802 4.15 1.307841926 1.307837434 0.000000499 4.20 1.292567026 1.292528954 0.000004230 4.25 1.277898890 1.277831804 0.000007454 4.30 1.263789214 1.263697180 0.000010226 4.35 1.250193067 1.250079698 0.000012596 4.40 1.237068705 1.236937215 0.000014610 4.45 1.224377404 1.224230644 0.000016307 4.50 1.212083287 1.211923784 0.000017723 4.55 1.200153156 1.199983151 0.000018890 4.60 1.188556337 1.188377811 0.000019836 4.65 1.177264525 1.177079231 0.000020588 4.70 1.166251640 1.166061122 0.000021169 4.75 1.155493683 1.155299300 0.000021598 4.80 1.144968601 1.144771550 0.000021895 4.85 1.134656163 1.134457492 0.000022075 4.90 1.124537835 1.124338460 0.000022153 4.95 1.114596667 1.114397388 0.000022142 5.00 1.104817182 1.104618691 0.000022055 5.05 1.095185272 1.094988171 0.000021900 5.10 1.085688102 1.085492908 0.000021688 5.15 1.076314019 1.076121175 0.000021427 5.20 1.067052464 1.066862347 0.000021124 5.25 1.057893889 1.057706817 0.000020786 5.30 1.048829685 1.048645923 0.000020418 5.35 1.039852105 1.039671872 0.000020026 5.40 1.030954201 1.030777676 0.000019614 5.45 1.022129760 1.021957086 0.000019186 5.50 1.013373246 1.013204531 0.000018746 5.55 1.004679743 1.004515068 0.000018297 5.60 0.996044905 0.995884327 0.000017842 5.65 0.987464909 0.987308463 0.000017383 5.70 0.978936410 0.978784111 0.000016922 5.75 0.970456501 0.970308347 0.000016461 5.80 0.962022672 0.961878648 0.000016003 5.85 0.953632776 0.953492852 0.000015547 5.90 0.945284997 0.945149134 0.000015096 5.95 0.936977816 0.936845965 0.000014650 6.00 0.928709986 0.928582090 0.000014211 6.05 0.920480506 0.920356502 0.000013778 6.10 0.912288592 0.912168410 0.000013354 6.15 0.904133660 0.904017226 0.000012937 6.20 0.896015302 0.895902538 0.000012529 6.25 0.887933268 0.887824094 0.000012131 6.30 0.879887450 0.879781782 0.000011741 6.35 0.871877861 0.871775615 0.000011361 6.40 0.863904628 0.863805716 0.000010990 6.45 0.855967968 0.855872305 0.000010629 6.50 0.848068187 0.847975685 0.000010278 6.55 0.840205658 0.840116230 0.000009936 6.60 0.832380820 0.832294379 0.000009605 6.65 0.824594160 0.824510620 0.000009282 6.70 0.816846210 0.816765485 0.000008969 6.75 0.809137538 0.809059544 0.000008666 6.80 0.801468737 0.801393391 0.000008372 6.85 0.793840425 0.793767644 0.000008087 6.90 0.786253233 0.786182937 0.000007811 6.95 0.778707805 0.778639915 0.000007543 7.00 0.771204788 0.771139227 0.000007285 7.05 0.763744832 0.763681525 0.000007034 7.10 0.756328582 0.756267455 0.000006792 7.15 0.748956679 0.748897660 0.000006558 7.20 0.741629755 0.741572772 0.000006331 7.25 0.734348428 0.734293415 0.000006113 7.30 0.727113304 0.727060193 0.000005901 7.35 0.719924972 0.719873699 0.000005697 7.40 0.712784002 0.712734505 0.000005500 7.45 0.705690946 0.705643164 0.000005309 7.50 0.698646332 0.698600206 0.000005125 7.55 0.691650669 0.691606141 0.000004948 7.60 0.684704442 0.684661455 0.000004776 7.65 0.677808110 0.677766612 0.000004611 7.70 0.670962111 0.670922049 0.000004451 7.75 0.664166856 0.664128180 0.000004297 7.80 0.657422729 0.657385392 0.000004149 7.85 0.650730093 0.650694046 0.000004005 7.90 0.644089281 0.644054480 0.000003867 7.95 0.637500603 0.637467002 0.000003733 8.00 0.630964343 0.630931899 0.000003605 8.05 0.624480758 0.624449431 0.000003481 8.10 0.618050082 0.618019832 0.000003361 8.15 0.611672524 0.611643312 0.000003246 8.20 0.605348265 0.605320056 0.000003134 8.25 0.599077467 0.599050224 0.000003027 8.30 0.592860263 0.592833953 0.000002923 8.35 0.586696767 0.586671355 0.000002823 8.40 0.580587068 0.580562521 0.000002727 8.45 0.574531231 0.574507521 0.000002635 8.50 0.568529305 0.568506399 0.000002545 8.55 0.562581312 0.562559182 0.000002459 8.60 0.556687253 0.556665875 0.000002375 8.65 0.550847116 0.550826460 0.000002295 8.70 0.545060862 0.545040903 0.000002218 8.75 0.539328434 0.539309148 0.000002143 8.80 0.533649764 0.533631124 0.000002071 8.85 0.528024754 0.528006739 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