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8586 lines
424 KiB
8586 lines
424 KiB
<preamble>
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<basis_specs>
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===============================================================================
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Fe Z= 26 Mass= 55.850 Charge= 0.17977+309
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Lmxo=2 Lmxkb= 3 BasisType=split Semic=F
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L=0 Nsemic=0 Cnfigmx=4
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i=1 nzeta=2 polorb=1 (4s)
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splnorm: 0.15000
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vcte: 0.0000
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rinn: 0.0000
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qcoe: 0.0000
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qyuk: 0.0000
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qwid: 0.10000E-01
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rcs: 9.6494 6.8853
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lambdas: 1.0000 1.0000
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L=1 Nsemic=0 Cnfigmx=4
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L=2 Nsemic=0 Cnfigmx=3
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i=1 nzeta=2 polorb=0 (3d)
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splnorm: 0.15000
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vcte: 0.0000
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rinn: 0.0000
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qcoe: 0.0000
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qyuk: 0.0000
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qwid: 0.10000E-01
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rcs: 6.6319 2.5648
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lambdas: 1.0000 1.0000
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-------------------------------------------------------------------------------
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L=0 Nkbl=1 erefs: 0.17977+309
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L=1 Nkbl=2 erefs: 0.17977+309 0.17977+309
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L=2 Nkbl=1 erefs: 0.17977+309
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L=3 Nkbl=1 erefs: 0.17977+309
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===============================================================================
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</basis_specs>
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<pseudopotential_header>
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Fe pb rel pcec
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ATM3.3 17-MAR-14 Troullier-Martins
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4s 1.00r r= 2.00/4p 0.00r r= 2.00/3d 7.00r r= 2.00/4f 0.00r r= 2.00/
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</pseudopotential_header>
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</preamble>
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Fe # Symbol
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Fe # Label
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26 # Atomic number
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8.00000000000 # Valence charge
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55.8500000000 # Mass
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52.4107105251 # Self energy
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2 5 # Lmax for basis, no. of nl orbitals
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3 9 T # Lmax for projectors, no. of nl KB projectors, LJ projs?
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# PAOs:__________________________
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0 4 1 0 2.000000 #orbital l, n, z, is_polarized, population
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500 0.1933743327183080E-01 9.649379202643571 # npts, delta, cutoff
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0.000000000000000 0.1198007329458894
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0.1933743327183080E-01 0.1198215283796814
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0.3867486654366160E-01 0.1198844953795450
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0.5801229981549241E-01 0.1199894844555806
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0.7734973308732321E-01 0.1201365616270805
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0.9668716635915400E-01 0.1203258191627598
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0.1160245996309848 0.1205573754139501
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0.1353620329028156 0.1208313745996053
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0.1546994661746464 0.1211479865311824
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0.1740368994464772 0.1215074062896497
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0.1933743327183080 0.1219098538300837
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0.2127117659901388 0.1223555735203145
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|
0.2320491992619696 0.1228448336081190
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0.2513866325338004 0.1233779256033869
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0.2707240658056312 0.1239551635724316
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0.2900614990774620 0.1245768833352555
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0.3093989323492928 0.1252434415542218
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0.3287363656211236 0.1259552147061379
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0.3480737988929544 0.1267125979289745
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0.3674112321647852 0.1275160037233562
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0.3867486654366160 0.1283658605078200
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0.4060860987084469 0.1292626110040586
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0.4254235319802777 0.1302067104448571
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0.4447609652521085 0.1311986245853678
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0.4640983985239392 0.1322388275076584
|
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0.4834358317957700 0.1333277991941558
|
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0.5027732650676009 0.1344660228621262
|
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0.5221106983394317 0.1356539820351247
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0.5414481316112625 0.1368921573367362
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0.5607855648830933 0.1381810229875642
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0.5801229981549241 0.1395210429888553
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0.5994604314267549 0.1409126669725776
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0.6187978646985857 0.1423563257001004
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0.6381352979704165 0.1438524261966513
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0.6574727312422473 0.1454013464968970
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0.6768101645140780 0.1470034299936814
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0.6961475977859088 0.1486589793726121
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0.7154850310577396 0.1503682501200618
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0.7348224643295704 0.1521314435966982
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0.7541598976014012 0.1539486996681305
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0.7734973308732320 0.1558200888877417
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0.7928347641450629 0.1577456042370280
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0.8121721974168937 0.1597251524213335
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0.8315096306887245 0.1617585447366122
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0.8508470639605553 0.1638454875221464
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0.8701844972323861 0.1659855722212429
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0.8895219305042169 0.1681782650822800
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0.9088593637760477 0.1704228965385863
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0.9281967970478785 0.1727186503142632
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0.9475342303197093 0.1750645523203249
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0.9668716635915401 0.1774594594024302
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0.9862090968633709 0.1799020480291823
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1.005546530135202 0.1823908030120467
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1.024883963407033 0.1849240063606983
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1.044221396678863 0.1874997264025769
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1.063558829950694 0.1901158072949506
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1.082896263222525 0.1927698590774080
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1.102233696494356 0.1954592484251801
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1.121571129766187 0.1981810902973897
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1.140908563038017 0.2009322406373662
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1.160245996309848 0.2037092903555788
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1.179583429581679 0.2065085607910421
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1.198920862853510 0.2093261008552723
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1.218258296125341 0.2121576861341715
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1.237595729397171 0.2149988201012336
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1.256933162669002 0.2178447377418091
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1.276270595940833 0.2206904117483835
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1.295608029212664 0.2235305615619399
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1.314945462484495 0.2263596653778956
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1.334282895756325 0.2291719753894838
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1.353620329028156 0.2319615363378754
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1.372957762299987 0.2347222075308212
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1.392295195571818 0.2374476884204987
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1.411632628843648 0.2401315477317039
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1.430970062115479 0.2427672561799423
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1.450307495387310 0.2453482226534096
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1.469644928659141 0.2478678337720538
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1.488982361930972 0.2503194965676000
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1.508319795202802 0.2526966840314779
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1.527657228474633 0.2549929831850671
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1.546994661746464 0.2572021451948565
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1.566332095018295 0.2593181370594751
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1.585669528290126 0.2613351942500540
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1.605006961561957 0.2632478736442684
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1.624344394833787 0.2650511060141997
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1.643681828105618 0.2667402472666643
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1.663019261377449 0.2683111275762028
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1.682356694649280 0.2697600975006056
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1.701694127921111 0.2710840701625867
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1.721031561192941 0.2722805585119927
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1.740368994464772 0.2733477067143636
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1.759706427736603 0.2742843147146216
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1.779043861008434 0.2750898550116511
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1.798381294280265 0.2757644807368946
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1.817718727552095 0.2763090241775255
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1.837056160823926 0.2767249849065955
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1.856393594095757 0.2770145067829323
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1.875731027367588 0.2771803430738253
|
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1.895068460639419 0.2772258090293552
|
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1.914405893911249 0.2771547215647002
|
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1.933743327183080 0.2769713252678836
|
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1.953080760454911 0.2766802033534524
|
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1.972418193726742 0.2762861756741062
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1.991755626998573 0.2757941817424425
|
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2.011093060270404 0.2752091499235159
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2.030430493542234 0.2745358563203358
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2.049767926814065 0.2737788822438746
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2.069105360085896 0.2729426156464505
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2.088442793357727 0.2720312580283862
|
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2.107780226629557 0.2710488303140794
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2.127117659901388 0.2699991814610258
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2.146455093173219 0.2688859960573220
|
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2.165792526445050 0.2677127987997462
|
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2.185129959716881 0.2664829673106897
|
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2.204467392988712 0.2651997338062512
|
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2.223804826260542 0.2638661822114295
|
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2.243142259532373 0.2624852687852495
|
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2.262479692804204 0.2610598230592478
|
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2.281817126076035 0.2595925511734293
|
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2.301154559347865 0.2580860425988575
|
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2.320491992619696 0.2565427746278771
|
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2.339829425891527 0.2549651172246017
|
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2.359166859163358 0.2533553376093732
|
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2.378504292435188 0.2517156046386580
|
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2.397841725707019 0.2500479930048637
|
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2.417179158978850 0.2483544872713840
|
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2.436516592250681 0.2466369856971882
|
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2.455854025522512 0.2448973039123818
|
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2.475191458794343 0.2431371784398430
|
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2.494528892066174 0.2413582700816545
|
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2.513866325338004 0.2395621671101025
|
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2.533203758609835 0.2377503883198585
|
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2.552541191881666 0.2359243860859224
|
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2.571878625153497 0.2340855483726414
|
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2.591216058425327 0.2322352038710029
|
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2.610553491697158 0.2303746249308100
|
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2.629890924968989 0.2285050268189910
|
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2.649228358240820 0.2266275698706313
|
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2.668565791512651 0.2247433627972149
|
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2.687903224784482 0.2228534644604517
|
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2.707240658056312 0.2209588861421081
|
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2.726578091328143 0.2190605935297031
|
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2.745915524599974 0.2171595086490988
|
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2.765252957871805 0.2152565116908639
|
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2.784590391143635 0.2133524427536423
|
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2.803927824415466 0.2114481035140022
|
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2.823265257687297 0.2095442588018172
|
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2.842602690959128 0.2076416381090925
|
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2.861940124230959 0.2057409370346977
|
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2.881277557502790 0.2038428186615633
|
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2.900614990774620 0.2019479148718998
|
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2.919952424046451 0.2000568276056051
|
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2.939289857318282 0.1981701300641611
|
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2.958627290590113 0.1962883678621000
|
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2.977964723861943 0.1944120601292046
|
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2.997302157133774 0.1925417005659330
|
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3.016639590405605 0.1906777584545280
|
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3.035977023677436 0.1888206796272108
|
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3.055314456949267 0.1869708873938075
|
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3.074651890221098 0.1851287834312643
|
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3.093989323492928 0.1832947486367091
|
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3.113326756764759 0.1814691439447965
|
|
3.132664190036590 0.1796523111118105
|
|
3.152001623308421 0.1778445734678987
|
|
3.171339056580252 0.1760462366387212
|
|
3.190676489852082 0.1742575892379642
|
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3.210013923123913 0.1724789035319709
|
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3.229351356395744 0.1707104360778073
|
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3.248688789667575 0.1689524283360303
|
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3.268026222939405 0.1672051072588666
|
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3.287363656211236 0.1654686858550342
|
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3.306701089483067 0.1637433637324438
|
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3.326038522754898 0.1620293276197124
|
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3.345375956026729 0.1603267518671219
|
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3.364713389298560 0.1586357989280541
|
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3.384050822570390 0.1569566198218065
|
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3.403388255842221 0.1552893545786835
|
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3.422725689114052 0.1536341326678661
|
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3.442063122385883 0.1519910734088584
|
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3.461400555657713 0.1503602863673256
|
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3.480737988929544 0.1487418717360192
|
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3.500075422201375 0.1471359207012914
|
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3.519412855473206 0.1455425157958740
|
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3.538750288745037 0.1439617312385341
|
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3.558087722016868 0.1423936332610982
|
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3.577425155288698 0.1408382804233694
|
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3.596762588560529 0.1392957239165284
|
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3.616100021832360 0.1377660078555449
|
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3.635437455104191 0.1362491695609178
|
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3.654774888376021 0.1347452398302739
|
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3.674112321647852 0.1332542432002608
|
|
3.693449754919683 0.1317761981990772
|
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3.712787188191514 0.1303111175900235
|
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3.732124621463345 0.1288590086065121
|
|
3.751462054735176 0.1274198731789078
|
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3.770799488007007 0.1259937081534296
|
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3.790136921278837 0.1245805055034754
|
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3.809474354550668 0.1231802525337396
|
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3.828811787822499 0.1217929320773007
|
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3.848149221094330 0.1204185226859213
|
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3.867486654366160 0.1190569988140116
|
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3.886824087637991 0.1177083309963165
|
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3.906161520909822 0.1163724860198015
|
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3.925498954181653 0.1150494270896781
|
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3.944836387453484 0.1137391139898109
|
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3.964173820725315 0.1124415032379750
|
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3.983511253997145 0.1111565482358471
|
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4.002848687268976 0.1098841994143151
|
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4.022186120540807 0.1086244043738432
|
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4.041523553812637 0.1073771080200119
|
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4.060860987084468 0.1061422526949441
|
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4.080198420356299 0.1049197783041785
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4.099535853628130 0.1037096224398263
|
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4.118873286899960 0.1025117204994168
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4.138210720171791 0.1013260058006637
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4.157548153443622 0.1001524096927873
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4.176885586715454 0.9899086166392189E-01
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4.196223019987284 0.9784128944546895E-01
|
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4.215560453259115 0.9670361911257933E-01
|
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4.234897886530946 0.9557777518159316E-01
|
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4.254235319802777 0.9446368070390841E-01
|
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4.273572753074607 0.9336125735708008E-01
|
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4.292910186346438 0.9227042553267183E-01
|
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4.312247619618269 0.9119110442142757E-01
|
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4.331585052890100 0.9012321209536324E-01
|
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4.350922486161931 0.8906666558705559E-01
|
|
4.370259919433761 0.8802138096635011E-01
|
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4.389597352705592 0.8698727341432708E-01
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4.408934785977423 0.8596425729488157E-01
|
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4.428272219249254 0.8495224622365685E-01
|
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4.447609652521084 0.8395115313466162E-01
|
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4.466947085792915 0.8296089034441557E-01
|
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4.486284519064746 0.8198136961392521E-01
|
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4.505621952336577 0.8101250220832343E-01
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4.524959385608407 0.8005419895451289E-01
|
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4.544296818880238 0.7910637029651468E-01
|
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4.563634252152069 0.7816892634890887E-01
|
|
4.582971685423900 0.7724177694807187E-01
|
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4.602309118695731 0.7632483170169330E-01
|
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4.621646551967562 0.7541800003620409E-01
|
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4.640983985239393 0.7452119124266324E-01
|
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4.660321418511224 0.7363431452052518E-01
|
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4.679658851783054 0.7275727901989007E-01
|
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4.698996285054885 0.7188999388178328E-01
|
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4.718333718326716 0.7103236827706129E-01
|
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4.737671151598547 0.7018431144353499E-01
|
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4.757008584870377 0.6934573272171034E-01
|
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4.776346018142208 0.6851654158884574E-01
|
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4.795683451414039 0.6769664769162564E-01
|
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4.815020884685870 0.6688596087734455E-01
|
|
4.834358317957700 0.6608439122374858E-01
|
|
4.853695751229531 0.6529184906746513E-01
|
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4.873033184501362 0.6450824503121434E-01
|
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4.892370617773193 0.6373349004963050E-01
|
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4.911708051045023 0.6296749539398233E-01
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4.931045484316854 0.6221017269546372E-01
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4.950382917588685 0.6146143396756881E-01
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4.969720350860516 0.6072119162710262E-01
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4.989057784132347 0.5998935851443366E-01
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5.008395217404177 0.5926584791235810E-01
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5.027732650676008 0.5855057356417616E-01
|
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5.047070083947840 0.5784344969050111E-01
|
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5.066407517219671 0.5714439100532835E-01
|
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5.085744950491501 0.5645331273109049E-01
|
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5.105082383763332 0.5577013061278635E-01
|
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5.124419817035163 0.5509476093133971E-01
|
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5.143757250306994 0.5442712051601233E-01
|
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5.163094683578824 0.5376712675602632E-01
|
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5.182432116850655 0.5311469761144884E-01
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5.201769550122486 0.5246975162324100E-01
|
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5.221106983394317 0.5183220792267611E-01
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5.240444416666147 0.5120198623987855E-01
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5.259781849937978 0.5057900691183790E-01
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5.279119283209809 0.4996319088971776E-01
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5.298456716481640 0.4935445974545066E-01
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7.270874910208382 0.1317868540157388E-01
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7.290212343480213 0.1299332304563815E-01
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7.309549776752043 0.1281002184270977E-01
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7.328887210023874 0.1262875600463751E-01
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7.348224643295705 0.1244950002325777E-01
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7.367562076567536 0.1227222866709044E-01
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7.425574376383028 0.1175207411693783E-01
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7.967022507994290 0.7635356748383100E-02
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8.141059407440768 0.6549956179940890E-02
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8.160396840712599 0.6435339030240247E-02
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8.179734273984430 0.6321858003149437E-02
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8.199071707256261 0.6209497114247339E-02
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8.218409140528092 0.6098240541997700E-02
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8.237746573799921 0.5988072625736981E-02
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8.257084007071752 0.5878977863686804E-02
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8.276421440343583 0.5770940910978721E-02
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8.295758873615414 0.5663946577714038E-02
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8.315096306887245 0.5557979827027813E-02
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8.334433740159076 0.5453025773178998E-02
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8.353771173430907 0.5349069679657986E-02
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8.373108606702738 0.5246096957311008E-02
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8.392446039974567 0.5144093162491663E-02
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8.411783473246398 0.5043043995211445E-02
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8.431120906518229 0.4942935297327369E-02
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8.450458339790060 0.4843753050737501E-02
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8.469795773061891 0.4745483375597578E-02
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8.489133206333722 0.4648112528544071E-02
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8.508470639605553 0.4551626900955605E-02
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8.527808072877384 0.4456013017209495E-02
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8.547145506149214 0.4361257532964719E-02
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8.566482939421045 0.4267347233459008E-02
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8.585820372692876 0.4174269031818175E-02
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8.605157805964707 0.4082009967400715E-02
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8.624495239236538 0.3990557204115975E-02
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8.643832672508369 0.3899898028800355E-02
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8.663170105780200 0.3810019849587431E-02
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8.682507539052031 0.3720910194299179E-02
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8.701844972323862 0.3632556708840269E-02
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8.721182405595691 0.3544947155630413E-02
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8.740519838867522 0.3458069412027629E-02
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8.759857272139353 0.3371911468776699E-02
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8.779194705411184 0.3286461428469307E-02
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8.798532138683015 0.3201707504017395E-02
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8.817869571954846 0.3117638017142562E-02
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8.837207005226677 0.3034241396873361E-02
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8.856544438498508 0.2951506178061148E-02
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8.875881871770337 0.2869420999906247E-02
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8.895219305042168 0.2787974604497354E-02
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8.914556738313999 0.2707155835361103E-02
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8.933894171585830 0.2626953636037739E-02
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8.953231604857661 0.2547357048640039E-02
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8.972569038129492 0.2468355212454205E-02
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8.991906471401323 0.2389937362537982E-02
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9.011243904673155 0.2312092828335744E-02
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9.030581337944984 0.2234811032293652E-02
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9.049918771216815 0.2158081488509827E-02
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9.069256204488646 0.2081893801372987E-02
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9.088593637760477 0.2006237664223137E-02
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9.107931071032308 0.1931102858021347E-02
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9.127268504304139 0.1856479250028344E-02
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9.146605937575970 0.1782356792504858E-02
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9.165943370847801 0.1708725521400316E-02
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9.185280804119630 0.1635575555074059E-02
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9.204618237391461 0.1562897093016392E-02
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9.223955670663292 0.1490680414581929E-02
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9.243293103935123 0.1418915877731080E-02
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9.262630537206954 0.1347593917791543E-02
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9.281967970478785 0.1276705046209271E-02
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9.301305403750616 0.1206239849329358E-02
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9.320642837022447 0.1136188987176824E-02
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9.339980270294278 0.1066543192248719E-02
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9.359317703566107 0.9972932682233426E-03
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9.378655136837938 0.9284300891553935E-03
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9.397992570109770 0.8599445977191798E-03
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9.417330003381601 0.7918278044006933E-03
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9.436667436653432 0.7240707862510269E-03
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9.456004869925263 0.6566646857332033E-03
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9.475342303197094 0.5896007062527501E-03
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9.494679736468925 0.5228701245982709E-03
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9.514017169740754 0.4564642700465245E-03
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9.533354603012585 0.3903745354078968E-03
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9.552692036284416 0.3245923730594125E-03
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9.572029469556247 0.2591092937658226E-03
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9.591366902828078 0.1939165774133531E-03
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9.610704336099909 0.1290064010187526E-03
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9.630041769371740 0.6437027860662103E-04
|
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9.649379202643571 0.000000000000000
|
|
0 4 2 0 0.000000 #orbital l, n, z, is_polarized, population
|
|
500 0.1379820896943888E-01 6.885306275750000 # npts, delta, cutoff
|
|
0.000000000000000 0.8912522727590136E-01
|
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0.1379820896943888E-01 0.8914084274085214E-01
|
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0.2759641793887775E-01 0.8918852524971133E-01
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0.4139462690831663E-01 0.8926801285061951E-01
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0.5519283587775551E-01 0.8937933063117991E-01
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0.6899104484719439E-01 0.8952251368696271E-01
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0.8278925381663327E-01 0.8969760709014010E-01
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0.9658746278607214E-01 0.8990466584628479E-01
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0.1103856717555110 0.9014375484439371E-01
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0.1241838807249499 0.9041494879734231E-01
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0.1379820896943888 0.9071833216771824E-01
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0.1517802986638276 0.9105399909077351E-01
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0.1655785076332665 0.9142205327681770E-01
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0.1793767166027054 0.9182260790662590E-01
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0.1931749255721443 0.9225578551122629E-01
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0.2069731345415832 0.9272171784300587E-01
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0.2207713435110220 0.9322054572272434E-01
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0.2345695524804609 0.9375241888087531E-01
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0.2483677614498998 0.9431749577361770E-01
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0.2621659704193386 0.9491594338885397E-01
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0.2759641793887775 0.9554793702531547E-01
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0.2897623883582164 0.9621366005797816E-01
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0.3035605973276553 0.9691330367742698E-01
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0.3173588062970942 0.9764706660792569E-01
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0.3311570152665331 0.9841515480022485E-01
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0.3449552242359719 0.9921778109923143E-01
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0.3587534332054108 0.1000551648806993
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0.3725516421748497 0.1009275316619040
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0.3863498511442885 0.1018351126788164
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0.4001480601137274 0.1027781444296795
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0.4139462690831663 0.1037568681834115
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0.4277444780526052 0.1047715294512052
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0.4415426870220441 0.1058223774154526
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0.4553408959914830 0.1069096643231272
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0.4691391049609218 0.1080336448272580
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0.4829373139303607 0.1091945752880810
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0.4967355228997996 0.1103927130211422
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0.5105337318692384 0.1116283154975943
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0.5243319408386773 0.1129016394876333
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0.5381301498081162 0.1142129401513832
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0.5519283587775551 0.1155624700665184
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0.5657265677469939 0.1169504781982942
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0.5795247767164329 0.1183772088044479
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0.5933229856858717 0.1198429002758544
|
|
0.6071211946553106 0.1213477839035733
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|
0.6209194036247495 0.1228920825807443
|
|
0.6347176125941884 0.1244760094282608
|
|
0.6485158215636272 0.1260997663444812
|
|
0.6623140305330661 0.1277635424784389
|
|
0.6761122395025050 0.1294675126230896
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0.6899104484719438 0.1312118355278636
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0.7037086574413828 0.1329966521266305
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|
0.7175068664108216 0.1348220836837817
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|
0.7313050753802605 0.1366882298528705
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|
0.7451032843496994 0.1385951666515070
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|
0.7589014933191383 0.1405429443468448
|
|
0.7726997022885771 0.1425315852580020
|
|
0.7864979112580160 0.1445610814706403
|
|
0.8002961202274549 0.1466313924661542
|
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0.8140943291968937 0.1487424426686385
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0.8278925381663327 0.1508941189103422
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0.8416907471357715 0.1530862678170144
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0.8554889561052104 0.1553186931196196
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0.8692871650746493 0.1575911528937378
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0.8830853740440882 0.1599033567342536
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5.201924781478457 0.2528273812020627E-01
|
|
5.215722990447896 0.2480016911143978E-01
|
|
5.229521199417334 0.2432356611246133E-01
|
|
5.243319408386774 0.2385288659819293E-01
|
|
5.257117617356212 0.2338808827522088E-01
|
|
5.270915826325651 0.2292912908375156E-01
|
|
5.284714035295090 0.2247596719929225E-01
|
|
5.298512244264529 0.2202856103453901E-01
|
|
5.312310453233968 0.2158686924082162E-01
|
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5.326108662203406 0.2115085070959230E-01
|
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5.339906871172846 0.2072046457374974E-01
|
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5.353705080142285 0.2029567020899940E-01
|
|
5.367503289111723 0.1987642723480278E-01
|
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5.381301498081162 0.1946269551554157E-01
|
|
5.395099707050601 0.1905443516143123E-01
|
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5.408897916020040 0.1865160652939019E-01
|
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5.422696124989479 0.1825417022370251E-01
|
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5.436494333958918 0.1786208709684177E-01
|
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5.450292542928357 0.1747531824994923E-01
|
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5.464090751897795 0.1709382503334218E-01
|
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5.477888960867235 0.1671756904698492E-01
|
|
5.491687169836673 0.1634651214074255E-01
|
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5.505485378806112 0.1598061641469010E-01
|
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5.519283587775551 0.1561984421928743E-01
|
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5.533081796744990 0.1526415815550214E-01
|
|
5.546880005714429 0.1491352107481657E-01
|
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5.560678214683867 0.1456789607926127E-01
|
|
5.574476423653307 0.1422724652129356E-01
|
|
5.588274632622745 0.1389153600365454E-01
|
|
5.602072841592184 0.1356072837915492E-01
|
|
5.615871050561623 0.1323478775041579E-01
|
|
5.629669259531062 0.1291367846952552E-01
|
|
5.643467468500501 0.1259736513766777E-01
|
|
5.657265677469939 0.1228581260468471E-01
|
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5.671063886439379 0.1197898596859156E-01
|
|
5.684862095408818 0.1167685057504438E-01
|
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5.698660304378256 0.1137937201674818E-01
|
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5.712458513347695 0.1108651613284586E-01
|
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5.726256722317134 0.1079824900823643E-01
|
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5.740054931286573 0.1051453697286440E-01
|
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5.753853140256012 0.1023534660096879E-01
|
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5.767651349225451 0.9960644710278457E-02
|
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5.781449558194890 0.9690398361201646E-02
|
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5.795247767164328 0.9424574855947611E-02
|
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5.809045976133768 0.9163141737629612E-02
|
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5.822844185103206 0.8906066789332017E-02
|
|
5.836642394072645 0.8653318033146194E-02
|
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5.850440603042084 0.8404863729175704E-02
|
|
5.864238812011523 0.8160672374513489E-02
|
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5.878037020980962 0.7920712702191407E-02
|
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5.891835229950400 0.7684953680107027E-02
|
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5.905633438919840 0.7453364509907785E-02
|
|
5.919431647889279 0.7225914625887928E-02
|
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5.933229856858717 0.7002573693827354E-02
|
|
5.947028065828156 0.6783311609825932E-02
|
|
5.960826274797595 0.6568098499114492E-02
|
|
5.974624483767034 0.6356904714847315E-02
|
|
5.988422692736473 0.6149700836873575E-02
|
|
6.002220901705912 0.5946457670497979E-02
|
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6.016019110675351 0.5747146245219207E-02
|
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6.029817319644789 0.5551737813456252E-02
|
|
6.043615528614228 0.5360203849265962E-02
|
|
6.057413737583667 0.5172516047017271E-02
|
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6.071211946553106 0.4988646320114959E-02
|
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6.085010155522545 0.4808566799650778E-02
|
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6.098808364491984 0.4632249833073225E-02
|
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6.112606573461423 0.4459667982842065E-02
|
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6.126404782430861 0.4290794025070288E-02
|
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6.140202991400301 0.4125600948176746E-02
|
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6.154001200369740 0.3964061951491463E-02
|
|
6.167799409339178 0.3806150443894911E-02
|
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6.181597618308617 0.3651840042431295E-02
|
|
6.195395827278056 0.3501104570929139E-02
|
|
6.209194036247495 0.3353918058571320E-02
|
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6.222992245216934 0.3210254738554702E-02
|
|
6.236790454186373 0.3070089046654029E-02
|
|
6.250588663155812 0.2933395619826854E-02
|
|
6.264386872125250 0.2800149294807838E-02
|
|
6.278185081094689 0.2670325106703050E-02
|
|
6.291983290064128 0.2543898287573611E-02
|
|
6.305781499033567 0.2420844265038030E-02
|
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6.319579708003006 0.2301138660854582E-02
|
|
6.333377916972445 0.2184757289513497E-02
|
|
6.347176125941884 0.2071676156827954E-02
|
|
6.360974334911322 0.1961871458522121E-02
|
|
6.374772543880761 0.1855319578842447E-02
|
|
6.388570752850200 0.1751997089124984E-02
|
|
6.402368961819639 0.1651880746412162E-02
|
|
6.416167170789078 0.1554947492048955E-02
|
|
6.429965379758517 0.1461174450302403E-02
|
|
6.443763588727956 0.1370538926903717E-02
|
|
6.457561797697394 0.1283018407757472E-02
|
|
6.471360006666833 0.1198590557495161E-02
|
|
6.485158215636273 0.1117233218108649E-02
|
|
6.498956424605711 0.1038924407574152E-02
|
|
6.512754633575150 0.9636423184720675E-03
|
|
6.526552842544589 0.8913653166582932E-03
|
|
6.540351051514028 0.8220719398465731E-03
|
|
6.554149260483467 0.7557408962894607E-03
|
|
6.567947469452906 0.6923510634207161E-03
|
|
6.581745678422345 0.6318814865121668E-03
|
|
6.595543887391783 0.5743113773605308E-03
|
|
6.609342096361222 0.5196201128573886E-03
|
|
6.623140305330661 0.4677872338176950E-03
|
|
6.636938514300100 0.4187924435656325E-03
|
|
6.650736723269539 0.3726156066472334E-03
|
|
6.664534932238978 0.3292367475274568E-03
|
|
6.678333141208417 0.2886360494104697E-03
|
|
6.692131350177855 0.2507938524676004E-03
|
|
6.705929559147294 0.2156906532817240E-03
|
|
6.719727768116734 0.1833071031169973E-03
|
|
6.733525977086172 0.1536240067593539E-03
|
|
6.747324186055611 0.1266223212584243E-03
|
|
6.761122395025050 0.1022831521390064E-03
|
|
6.774920603994489 0.8058776251574231E-04
|
|
6.788718812963928 0.6151755677100559E-04
|
|
6.802517021933366 0.4505408860511566E-04
|
|
6.816315230902806 0.3117905763113488E-04
|
|
6.830113439872244 0.1987430809717949E-04
|
|
6.843911648841683 0.1112151537023037E-04
|
|
6.857709857811122 0.4903408510159952E-05
|
|
6.871508066780561 0.1202079354311475E-05
|
|
6.885306275750000 0.000000000000000
|
|
2 3 1 0 6.000000 #orbital l, n, z, is_polarized, population
|
|
500 0.1329035082200727E-01 6.631885060181627 # npts, delta, cutoff
|
|
0.000000000000000 6.372842747497886
|
|
0.1329035082200727E-01 6.370797297717317
|
|
0.2658070164401454E-01 6.364654458440262
|
|
0.3987105246602181E-01 6.354426617688361
|
|
0.5316140328802908E-01 6.340129157105634
|
|
0.6645175411003634E-01 6.321783611812007
|
|
0.7974210493204362E-01 6.299417678402186
|
|
0.9303245575405088E-01 6.273065221425242
|
|
0.1063228065760582 6.242766278253566
|
|
0.1196131573980654 6.208567061852156
|
|
0.1329035082200727 6.170519959886289
|
|
0.1461938590420800 6.128683528892360
|
|
0.1594842098640872 6.083122481009665
|
|
0.1727745606860945 6.033907663330287
|
|
0.1860649115081018 5.981116024707251
|
|
0.1993552623301090 5.924830572219758
|
|
0.2126456131521163 5.865140311149909
|
|
0.2259359639741236 5.802140170085663
|
|
0.2392263147961309 5.735930906500760
|
|
0.2525166656181381 5.666618992810085
|
|
0.2658070164401454 5.594316480239987
|
|
0.2790973672621527 5.519140839262777
|
|
0.2923877180841599 5.441214775227105
|
|
0.3056780689061672 5.360666018235630
|
|
0.3189684197281745 5.277627085907559
|
|
0.3322587705501817 5.192235018858325
|
|
0.3455491213721890 5.104631088574583
|
|
0.3588394721941963 5.014960477278975
|
|
0.3721298230162035 4.923371930816338
|
|
0.3854201738382108 4.830017384716175
|
|
0.3987105246602181 4.735051564749769
|
|
0.4120008754822254 4.638631563403094
|
|
0.4252912263042326 4.540916394081850
|
|
0.4385815771262399 4.442066524983683
|
|
0.4518719279482472 4.342243395546249
|
|
0.4651622787702544 4.241608917585035
|
|
0.4784526295922617 4.140324964851259
|
|
0.4917429804142689 4.038552853800733
|
|
0.5050333312362763 3.936452819340936
|
|
0.5183236820582835 3.834183489110092
|
|
0.5316140328802907 3.731901360176002
|
|
0.5449043837022980 3.629760281948610
|
|
0.5581947345243053 3.527910949271547
|
|
0.5714850853463126 3.426500409498833
|
|
0.5847754361683198 3.325671587326621
|
|
0.5980657869903271 3.225562831274978
|
|
0.6113561378123343 3.126307484918435
|
|
0.6246464886343417 3.028033486527752
|
|
0.6379368394563489 2.930862999814665
|
|
0.6512271902783562 2.834912078668049
|
|
0.6645175411003634 2.740290368103072
|
|
0.6778078919223707 2.647100843472963
|
|
0.6910982427443780 2.555439589480367
|
|
0.7043885935663853 2.465395620160471
|
|
0.7176789443883925 2.377050740593592
|
|
0.7309692952103998 2.290479450638209
|
|
0.7442596460324070 2.205748890602500
|
|
0.7575499968544144 2.122918828294184
|
|
0.7708403476764216 2.042041686564023
|
|
0.7841306984984289 1.963162610015356
|
|
0.7974210493204361 1.886319569187363
|
|
0.8107114001424434 1.811543500561365
|
|
0.8240017509644507 1.738858479397922
|
|
0.8372921017864580 1.668281928716787
|
|
0.8505824526084652 1.599824833936663
|
|
0.8638728034304725 1.533492019682191
|
|
0.8771631542524797 1.469282420238377
|
|
0.8904535050744871 1.407189379083265
|
|
0.9037438558964943 1.347200962902936
|
|
0.9170342067185016 1.289300288632485
|
|
0.9303245575405088 1.233465860219723
|
|
0.9436149083625160 1.179671912101075
|
|
0.9569052591845234 1.127888756479334
|
|
0.9701956100065307 1.078083131630187
|
|
0.9834859608285379 1.030218548618275
|
|
0.9967763116505451 0.9842556339907432
|
|
1.010066662472553 0.9401524662100982
|
|
1.023357013294560 0.8978649037850855
|
|
1.036647364116567 0.8573469033183638
|
|
1.049937714938574 0.8185508258521224
|
|
1.063228065760581 0.7814277301616334
|
|
1.076518416582589 0.7459276518792936
|
|
1.089808767404596 0.7119998675096657
|
|
1.103099118226603 0.6795931426193763
|
|
1.116389469048611 0.6486559637341237
|
|
1.129679819870618 0.6191367535911694
|
|
1.142970170692625 0.5909840696230270
|
|
1.156260521514632 0.5641467857103080
|
|
1.169550872336640 0.5385742573446286
|
|
1.182841223158647 0.5142164705605121
|
|
1.196131573980654 0.4910241749733080
|
|
1.209421924802661 0.4689490015168229
|
|
1.222712275624669 0.4479435654783392
|
|
1.236002626446676 0.4279615554302497
|
|
1.249292977268683 0.4089578089056666
|
|
1.262583328090691 0.3908883754875545
|
|
1.275873678912698 0.3737105681459543
|
|
1.289164029734705 0.3573830036657796
|
|
1.302454380556712 0.3418656329684506
|
|
1.315744731378720 0.3271197621274369
|
|
1.329035082200727 0.3131080649320578
|
|
1.342325433022734 0.2997945877719397
|
|
1.355615783844741 0.2871447476167858
|
|
1.368906134666749 0.2751253238335433
|
|
1.382196485488756 0.2637044445471278
|
|
1.395486836310763 0.2528515682380634
|
|
1.408777187132771 0.2425374611868849
|
|
1.422067537954778 0.2327341713761616
|
|
1.435357888776785 0.2234149994110720
|
|
1.448648239598792 0.2145544669510999
|
|
1.461938590420800 0.2061282831467530
|
|
1.475228941242807 0.1981133095033743
|
|
1.488519292064814 0.1904875235616826
|
|
1.501809642886821 0.1832299817551130
|
|
1.515099993708829 0.1763207817504480
|
|
1.528390344530836 0.1697410245552640
|
|
1.541680695352843 0.1634727766513794
|
|
1.554971046174850 0.1574990323435165
|
|
1.568261396996858 0.1518036765233820
|
|
1.581551747818865 0.1463714480096794
|
|
1.594842098640872 0.1411879035781806
|
|
1.608132449462879 0.1362393827981322
|
|
1.621422800284887 0.1315129737603412
|
|
1.634713151106894 0.1269964797524600
|
|
1.648003501928901 0.1226783869321068
|
|
1.661293852750909 0.1185478330284627
|
|
1.674584203572916 0.1145945770803647
|
|
1.687874554394923 0.1108089702148336
|
|
1.701164905216930 0.1071819274571644
|
|
1.714455256038938 0.1037049005510054
|
|
1.727745606860945 0.1003698517582017
|
|
1.741035957682952 0.9716922860472885E-01
|
|
1.754326308504959 0.9409593952986610E-01
|
|
1.767616659326967 0.9114333039574112E-01
|
|
1.780907010148974 0.8830516180733650E-01
|
|
1.794197360970981 0.8557558719098078E-01
|
|
1.807487711792989 0.8294913158275721E-01
|
|
1.820778062614996 0.8042067107281367E-01
|
|
1.834068413437003 0.7798541285558507E-01
|
|
1.847358764259010 0.7563887584381626E-01
|
|
1.860649115081018 0.7337687179172432E-01
|
|
1.873939465903025 0.7119548687486375E-01
|
|
1.887229816725032 0.6909106370963966E-01
|
|
1.900520167547040 0.6706018377655146E-01
|
|
1.913810518369047 0.6509965017897627E-01
|
|
1.927100869191054 0.6320647074343308E-01
|
|
1.940391220013061 0.6137784140824314E-01
|
|
1.953681570835069 0.5961112967973817E-01
|
|
1.966971921657076 0.5790385908160837E-01
|
|
1.980262272479083 0.5625369302431566E-01
|
|
1.993552623301090 0.5465841889064206E-01
|
|
2.006842974123098 0.5311593396071285E-01
|
|
2.020133324945105 0.5162422958885582E-01
|
|
2.033423675767112 0.5018138277600315E-01
|
|
2.046714026589119 0.4878555391839166E-01
|
|
2.060004377411127 0.4743498138734115E-01
|
|
2.073294728233134 0.4612797796785709E-01
|
|
2.086585079055141 0.4486292771790091E-01
|
|
2.099875429877148 0.4363828216692239E-01
|
|
2.113165780699156 0.4245255743454068E-01
|
|
2.126456131521163 0.4130433124573885E-01
|
|
2.139746482343170 0.4019224004518928E-01
|
|
2.153036833165177 0.3911497628797569E-01
|
|
2.166327183987185 0.3807128589735059E-01
|
|
2.179617534809192 0.3705996583404977E-01
|
|
2.192907885631199 0.3607986178869355E-01
|
|
2.206198236453206 0.3512986598026838E-01
|
|
2.219488587275214 0.3420891507289290E-01
|
|
2.232778938097221 0.3331598819315688E-01
|
|
2.246069288919228 0.3245010504341261E-01
|
|
2.259359639741236 0.3161032410729422E-01
|
|
2.272649990563243 0.3079574094299280E-01
|
|
2.285940341385250 0.3000548655875946E-01
|
|
2.299230692207257 0.2923872586672569E-01
|
|
2.312521043029265 0.2849465621037275E-01
|
|
2.325811393851272 0.2777250596267488E-01
|
|
2.339101744673279 0.2707153319059334E-01
|
|
2.352392095495286 0.2639102438292715E-01
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|
6.219884184699402 0.5682654814260871E-04
|
|
6.233174535521409 0.5461228529560280E-04
|
|
6.246464886343416 0.5242765051823325E-04
|
|
6.259755237165423 0.5027215415495023E-04
|
|
6.273045587987431 0.4814531495352446E-04
|
|
6.286335938809438 0.4604665990720393E-04
|
|
6.299626289631446 0.4397572409589631E-04
|
|
6.312916640453452 0.4193205053474087E-04
|
|
6.326206991275460 0.3991519002380708E-04
|
|
6.339497342097467 0.3792470100123218E-04
|
|
6.352787692919475 0.3596014939665350E-04
|
|
6.366078043741481 0.3402110850164335E-04
|
|
6.379368394563489 0.3210715881428981E-04
|
|
6.392658745385496 0.3021788791503598E-04
|
|
6.405949096207504 0.2835289033160137E-04
|
|
6.419239447029511 0.2651176740917843E-04
|
|
6.432529797851518 0.2469412713914695E-04
|
|
6.445820148673525 0.2289958421839238E-04
|
|
6.459110499495533 0.2112775965143172E-04
|
|
6.472400850317540 0.1937828080458700E-04
|
|
6.485691201139547 0.1765078124849041E-04
|
|
6.498981551961554 0.1594490064343488E-04
|
|
6.512271902783562 0.1426028368818392E-04
|
|
6.525562253605569 0.1259658384433448E-04
|
|
6.538852604427576 0.1095345764637708E-04
|
|
6.552142955249583 0.9330568032096478E-05
|
|
6.565433306071591 0.7727583433255317E-05
|
|
6.578723656893598 0.6144177653681439E-05
|
|
6.592014007715606 0.4579999954711445E-05
|
|
6.605304358537612 0.3034791708703095E-05
|
|
6.618594709359620 0.1508225058083222E-05
|
|
6.631885060181627 0.000000000000000
|
|
2 3 2 0 0.000000 #orbital l, n, z, is_polarized, population
|
|
500 0.5139806712565130E-02 2.564763549570000 # npts, delta, cutoff
|
|
0.000000000000000 7.656257436169111
|
|
0.5139806712565130E-02 7.655889899023727
|
|
0.1027961342513026E-01 7.654775884709789
|
|
0.1541942013769539E-01 7.652919443136318
|
|
0.2055922685026052E-01 7.650320997532907
|
|
0.2569903356282565E-01 7.646981133929894
|
|
0.3083884027539078E-01 7.642900603822847
|
|
0.3597864698795591E-01 7.638080325066102
|
|
0.4111845370052104E-01 7.632521382299525
|
|
0.4625826041308617E-01 7.626225027085462
|
|
0.5139806712565130E-01 7.619192677795364
|
|
0.5653787383821644E-01 7.611425919917284
|
|
0.6167768055078156E-01 7.602926506100849
|
|
0.6681748726334670E-01 7.593696356024538
|
|
0.7195729397591183E-01 7.583737556744780
|
|
0.7709710068847696E-01 7.573052362560802
|
|
0.8223690740104209E-01 7.561643195162879
|
|
0.8737671411360722E-01 7.549512643602399
|
|
0.9251652082617234E-01 7.536663464476886
|
|
0.9765632753873747E-01 7.523098581839823
|
|
0.1027961342513026 7.508821087225258
|
|
0.1079359409638677 7.493834239773753
|
|
0.1130757476764329 7.478141466072887
|
|
0.1182155543889980 7.461746360317119
|
|
0.1233553611015631 7.444652683764806
|
|
0.1284951678141283 7.426864365747402
|
|
0.1336349745266934 7.408385502235467
|
|
0.1387747812392585 7.389220356598165
|
|
0.1439145879518237 7.369373359092158
|
|
0.1490543946643888 7.348849107017719
|
|
0.1541942013769539 7.327652363903963
|
|
0.1593340080895190 7.305788059553215
|
|
0.1644738148020842 7.283261290098671
|
|
0.1696136215146493 7.260077316870119
|
|
0.1747534282272144 7.236241566374164
|
|
0.1798932349397796 7.211759630159136
|
|
0.1850330416523447 7.186637263371674
|
|
0.1901728483649098 7.160880385340471
|
|
0.1953126550774749 7.134495077800485
|
|
0.2004524617900401 7.107487584922617
|
|
0.2055922685026052 7.079864312159299
|
|
0.2107320752151703 7.051631825628996
|
|
0.2158718819277355 7.022796850907259
|
|
0.2210116886403006 6.993366272367952
|
|
0.2261514953528657 6.963347131631550
|
|
0.2312913020654309 6.932746626682856
|
|
0.2364311087779960 6.901572110698785
|
|
0.2415709154905611 6.869831090295316
|
|
0.2467107222031263 6.837531224565728
|
|
0.2518505289156914 6.804680323185374
|
|
0.2569903356282565 6.771286344859135
|
|
0.2621301423408217 6.737357395602066
|
|
0.2672699490533868 6.702901727004969
|
|
0.2724097557659519 6.667927734163742
|
|
0.2775495624785170 6.632443953651008
|
|
0.2826893691910822 6.596459061412304
|
|
0.2878291759036473 6.559981870385809
|
|
0.2929689826162125 6.523021328439939
|
|
0.2981087893287775 6.485586515570031
|
|
0.3032485960413427 6.447686641350596
|
|
0.3083884027539078 6.409331042520193
|
|
0.3135282094664730 6.370529179851806
|
|
0.3186680161790381 6.331290635298293
|
|
0.3238078228916032 6.291625109193706
|
|
0.3289476296041683 6.251542416763396
|
|
0.3340874363167335 6.211052485082463
|
|
0.3392272430292986 6.170165349689114
|
|
0.3443670497418637 6.128891150882746
|
|
0.3495068564544289 6.087240130503192
|
|
0.3546466631669940 6.045222627888971
|
|
0.3597864698795591 6.002849076220066
|
|
0.3649262765921242 5.960129998589100
|
|
0.3700660833046894 5.917076003980948
|
|
0.3752058900172545 5.873697783030303
|
|
0.3803456967298197 5.830006103942996
|
|
0.3854855034423848 5.786011808070348
|
|
0.3906253101549499 5.741725805523774
|
|
0.3957651168675150 5.697159070624742
|
|
0.4009049235800802 5.652322637281246
|
|
0.4060447302926453 5.607227594387335
|
|
0.4111845370052104 5.561885080891522
|
|
0.4163243437177755 5.516306281038484
|
|
0.4214641504303407 5.470502419391598
|
|
0.4266039571429058 5.424484755813623
|
|
0.4317437638554710 5.378264580370329
|
|
0.4368835705680361 5.331853208254332
|
|
0.4420233772806012 5.285261974535318
|
|
0.4471631839931663 5.238502228829163
|
|
0.4523029907057315 5.191585330110860
|
|
0.4574427974182966 5.144522641246789
|
|
0.4625826041308617 5.097325523709250
|
|
0.4677224108434269 5.050005332019603
|
|
0.4728622175559920 5.002573408409178
|
|
0.4780020242685571 4.955041077256524
|
|
0.4831418309811222 4.907419639598709
|
|
0.4882816376936874 4.859720367625135
|
|
0.4934214444062525 4.811954499174587
|
|
0.4985612511188177 4.764133232206420
|
|
0.5037010578313827 4.716267719220526
|
|
0.5088408645439479 4.668369061881124
|
|
0.5139806712565130 4.620448305406256
|
|
0.5191204779690781 4.572516433156403
|
|
0.5242602846816433 4.524584361234809
|
|
0.5294000913942084 4.476662933051371
|
|
0.5345398981067736 4.428762913927955
|
|
0.5396797048193387 4.380894985880651
|
|
0.5448195115319038 4.333069742326013
|
|
0.5499593182444690 4.285297682858666
|
|
0.5550991249570341 4.237589208159498
|
|
0.5602389316695993 4.189954614962186
|
|
0.5653787383821643 4.142404091040353
|
|
0.5705185450947294 4.094947710304353
|
|
0.5756583518072946 4.047595428040948
|
|
0.5807981585198597 4.000357076200919
|
|
0.5859379652324249 3.953242358778587
|
|
0.5910777719449900 3.906260847291434
|
|
0.5962175786575551 3.859421976429665
|
|
0.6013573853701203 3.812735039762568
|
|
0.6064971920826854 3.766209185580093
|
|
0.6116369987952505 3.719853412882933
|
|
0.6167768055078157 3.673676567474224
|
|
0.6219166122203807 3.627687338192480
|
|
0.6270564189329459 3.581894253285179
|
|
0.6321962256455110 3.536305676930312
|
|
0.6373360323580761 3.490929805899293
|
|
0.6424758390706413 3.445774666363457
|
|
0.6476156457832064 3.400848110856327
|
|
0.6527554524957716 3.356157815391258
|
|
0.6578952592083367 3.311711276742042
|
|
0.6630350659209018 3.267515809874726
|
|
0.6681748726334670 3.223578545544147
|
|
0.6733146793460321 3.179906428062839
|
|
0.6784544860585973 3.136506213228922
|
|
0.6835942927711623 3.093384466414812
|
|
0.6887340994837274 3.050547560840339
|
|
0.6938739061962926 3.008001676009313
|
|
0.6990137129088577 2.965752796309861
|
|
0.7041535196214229 2.923806709791438
|
|
0.7092933263339880 2.882169007116120
|
|
0.7144331330465531 2.840845080672981
|
|
0.7195729397591183 2.799840123866020
|
|
0.7247127464716834 2.759159130575043
|
|
0.7298525531842485 2.718806894782970
|
|
0.7349923598968137 2.678788010369765
|
|
0.7401321666093787 2.639106871074097
|
|
0.7452719733219439 2.599767670619790
|
|
0.7504117800345090 2.560774403005558
|
|
0.7555515867470741 2.522130862955660
|
|
0.7606913934596393 2.483840646530444
|
|
0.7658312001722044 2.445907151892122
|
|
0.7709710068847696 2.408333580222285
|
|
0.7761108135973347 2.371122936791810
|
|
0.7812506203098998 2.334278032178968
|
|
0.7863904270224650 2.297801483631333
|
|
0.7915302337350301 2.261695716570531
|
|
0.7966700404475953 2.225962966222398
|
|
0.8018098471601603 2.190605279423471
|
|
0.8069496538727254 2.155624516527813
|
|
0.8120894605852906 2.121022353178851
|
|
0.8172292672978557 2.086800282546804
|
|
0.8223690740104208 2.052959619576415
|
|
0.8275088807229860 2.019501500744802
|
|
0.8326486874355511 1.986426885419014
|
|
0.8377884941481163 1.953736560683618
|
|
0.8429283008606814 1.921431144316078
|
|
0.8480681075732465 1.889511087807672
|
|
0.8532079142858117 1.857976677786706
|
|
0.8583477209983768 1.826828039458700
|
|
0.8634875277109419 1.796065139976131
|
|
0.8686273344235070 1.765687791344447
|
|
0.8737671411360721 1.735695653585232
|
|
0.8789069478486373 1.706088238023538
|
|
0.8840467545612024 1.676864910590371
|
|
0.8891865612737676 1.648024895187326
|
|
0.8943263679863327 1.619567277101622
|
|
0.8994661746988978 1.591491006466516
|
|
0.9046059814114630 1.563794901762537
|
|
0.9097457881240281 1.536477653354252
|
|
0.9148855948365933 1.509537827058219
|
|
0.9200254015491584 1.482973867737140
|
|
0.9251652082617234 1.456784102915994
|
|
0.9303050149742886 1.430966746415168
|
|
0.9354448216868537 1.405519901996359
|
|
0.9405846283994188 1.380441567016783
|
|
0.9457244351119840 1.355729636087365
|
|
0.9508642418245491 1.331381904731117
|
|
0.9560040485371143 1.307396073036974
|
|
0.9611438552496794 1.283769749305335
|
|
0.9662836619622445 1.260500453681673
|
|
0.9714234686748097 1.237585621774195
|
|
0.9765632753873748 1.215022608252353
|
|
0.9817030820999399 1.192808690422148
|
|
0.9868428888125050 1.170941071774617
|
|
0.9919826955250701 1.149416885504489
|
|
0.9971225022376353 1.128233197998318
|
|
1.002262308950201 1.107387012284288
|
|
1.007402115662765 1.086875271445418
|
|
1.012541922375331 1.066694861987154
|
|
1.017681729087896 1.046842617163276
|
|
1.022821535800461 1.027315320262219
|
|
1.027961342513026 1.008109707836073
|
|
1.033101149225591 0.9892224728836583
|
|
1.038240955938156 0.9706502679722144
|
|
1.043380762650721 0.9523897083109691
|
|
1.048520569363287 0.9344373747727859
|
|
1.053660376075852 0.9167898168499237
|
|
1.058800182788417 0.8994435555544772
|
|
1.063939989500982 0.8823950862521677
|
|
1.069079796213547 0.8656408814378952
|
|
1.074219602926112 0.8491773934499166
|
|
1.079359409638677 0.8330010571154904
|
|
1.084499216351243 0.8171082923344689
|
|
1.089639023063808 0.8014955065917795
|
|
1.094778829776373 0.7861590974063646
|
|
1.099918636488938 0.7710954547163088
|
|
1.105058443201503 0.7563009631916051
|
|
1.110198249914068 0.7417720044831108
|
|
1.115338056626633 0.7275049593962849
|
|
1.120477863339199 0.7134962100035918
|
|
1.125617670051763 0.6997421416843285
|
|
1.130757476764329 0.6862391451024030
|
|
1.135897283476894 0.6729836181100137
|
|
1.141037090189459 0.6599719675879476
|
|
1.146176896902024 0.6472006112129348
|
|
1.151316703614589 0.6346659791622871
|
|
1.156456510327154 0.6223645157552433
|
|
1.161596317039719 0.6102926810234504
|
|
1.166736123752285 0.5984469522202989
|
|
1.171875930464850 0.5868238252604395
|
|
1.177015737177415 0.5754198161004590
|
|
1.182155543889980 0.5642314620552665
|
|
1.187295350602545 0.5532553230523576
|
|
1.192435157315110 0.5424879828262833
|
|
1.197574964027675 0.5319260500512453
|
|
1.202714770740241 0.5215661594191859
|
|
1.207854577452806 0.5114049726548356
|
|
1.212994384165371 0.5014391794791910
|
|
1.218134190877936 0.4916654985084321
|
|
1.223273997590501 0.4820806781081896
|
|
1.228413804303066 0.4726814971876810
|
|
1.233553611015631 0.4634647659504046
|
|
1.238693417728197 0.4544273265851249
|
|
1.243833224440761 0.4455660539135038
|
|
1.248973031153327 0.4368778559820586
|
|
1.254112837865892 0.4283596746143388
|
|
1.259252644578457 0.4200084859137969
|
|
1.264392451291022 0.4118213007239153
|
|
1.269532258003587 0.4037951650442922
|
|
1.274672064716152 0.3959271604047294
|
|
1.279811871428717 0.3882144042003637
|
|
1.284951678141283 0.3806540499854254
|
|
1.290091484853848 0.3732432877314744
|
|
1.295231291566413 0.3659793440447133
|
|
1.300371098278978 0.3588594823522420
|
|
1.305510904991543 0.3518810030516676
|
|
1.310650711704108 0.3450412436298508
|
|
1.315790518416673 0.3383375787483315
|
|
1.320930325129239 0.3317674202995839
|
|
1.326070131841804 0.3253282174328317
|
|
1.331209938554369 0.3190174565529817
|
|
1.336349745266934 0.3128326612922302
|
|
1.341489551979499 0.3067713924562728
|
|
1.346629358692064 0.3008312479458662
|
|
1.351769165404629 0.2950098626549607
|
|
1.356908972117195 0.2893049083472582
|
|
1.362048778829759 0.2837140935098506
|
|
1.367188585542325 0.2782351631888051
|
|
1.372328392254890 0.2728658988038299
|
|
1.377468198967455 0.2676041179472737
|
|
1.382608005680020 0.2624476741635206
|
|
1.387747812392585 0.2573944567145620
|
|
1.392887619105150 0.2524423903273566
|
|
1.398027425817715 0.2475894349295873
|
|
1.403167232530281 0.2428335853711060
|
|
1.408307039242846 0.2381728711320876
|
|
1.413446845955411 0.2336053560218765
|
|
1.418586652667976 0.2291291378642701
|
|
1.423726459380541 0.2247423481748113
|
|
1.428866266093106 0.2204431518265009
|
|
1.434006072805671 0.2162297467089255
|
|
1.439145879518237 0.2121003633787562
|
|
1.444285686230802 0.2080532647026358
|
|
1.449425492943367 0.2040867454950338
|
|
1.454565299655932 0.2001991321485832
|
|
1.459705106368497 0.1963887822601784
|
|
1.464844913081062 0.1926540842516909
|
|
1.469984719793627 0.1889934569871477
|
|
1.475124526506193 0.1854053493862086
|
|
1.480264333218757 0.1818882400340361
|
|
1.485404139931323 0.1784406367901164
|
|
1.490543946643888 0.1750610763932963
|
|
1.495683753356453 0.1717481240666907
|
|
1.500823560069018 0.1685003731197450
|
|
1.505963366781583 0.1653164445510366
|
|
1.511103173494148 0.1621949866503566
|
|
1.516242980206713 0.1591346745993968
|
|
1.521382786919279 0.1561342100762819
|
|
1.526522593631844 0.1531923208572546
|
|
1.531662400344409 0.1503077604208692
|
|
1.536802207056974 0.1474793075540074
|
|
1.541942013769539 0.1447057659575453
|
|
1.547081820482104 0.1419859638562605
|
|
1.552221627194669 0.1393187536083180
|
|
1.557361433907235 0.1367030113205149
|
|
1.562501240619800 0.1341376364630067
|
|
1.567641047332365 0.1316215514880530
|
|
1.572780854044930 0.1291537014518337
|
|
1.577920660757495 0.1267330536385605
|
|
1.583060467470060 0.1243585971886470
|
|
1.588200274182625 0.1220293427301085
|
|
1.593340080895191 0.1197443220125566
|
|
1.598479887607756 0.1175025875470835
|
|
1.603619694320321 0.1153032122476416
|
|
1.608759501032886 0.1131452890773234
|
|
1.613899307745451 0.1110279306983742
|
|
1.619039114458016 0.1089502691262179
|
|
1.624178921170581 0.1069114553875390
|
|
1.629318727883146 0.1049106591826402
|
|
1.634458534595711 0.1029470685510887
|
|
1.639598341308277 0.1010198895435227
|
|
1.644738148020842 0.9912834589562271E-01
|
|
1.649877954733407 0.9727167870732552E-01
|
|
1.655017761445972 0.9544914612586576E-01
|
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1.660157568158537 0.9366002303355329E-01
|
|
1.665297374871102 0.9190360073925385E-01
|
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1.670437181583667 0.9017918667443957E-01
|
|
1.675576988296233 0.8848610409279255E-01
|
|
1.680716795008798 0.8682369177531081E-01
|
|
1.685856601721363 0.8519130373816497E-01
|
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1.690996408433928 0.8358830894544120E-01
|
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1.696136215146493 0.8201409102510833E-01
|
|
1.701276021859058 0.8046804799054698E-01
|
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1.706415828571623 0.7894959196443574E-01
|
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1.711555635284189 0.7745814890736355E-01
|
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1.716695441996754 0.7599315834974567E-01
|
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1.721835248709319 0.7455407312836643E-01
|
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1.726975055421884 0.7314035912577407E-01
|
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1.732114862134449 0.7175149501385020E-01
|
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1.737254668847014 0.7038697200017917E-01
|
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1.742394475559579 0.6904629357939569E-01
|
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1.747534282272144 0.6772897528649705E-01
|
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1.752674088984709 0.6643454445430771E-01
|
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1.757813895697275 0.6516253997338683E-01
|
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1.762953702409840 0.6391251205657605E-01
|
|
1.768093509122405 0.6268402200526157E-01
|
|
1.773233315834970 0.6147664197929082E-01
|
|
1.778373122547535 0.6028995476980736E-01
|
|
1.783512929260100 0.5912355357448156E-01
|
|
1.788652735972665 0.5797704177657543E-01
|
|
1.793792542685231 0.5685003272561855E-01
|
|
1.798932349397796 0.5574214952125749E-01
|
|
1.804072156110361 0.5465302479946546E-01
|
|
1.809211962822926 0.5358230052140309E-01
|
|
1.814351769535491 0.5252962776448883E-01
|
|
1.819491576248056 0.5149466651626148E-01
|
|
1.824631382960621 0.5047708546840502E-01
|
|
1.829771189673187 0.4947656181715814E-01
|
|
1.834910996385752 0.4849278106175086E-01
|
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1.840050803098317 0.4752543680668555E-01
|
|
1.845190609810882 0.4657423056499910E-01
|
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1.850330416523447 0.4563887156692922E-01
|
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1.855470223236012 0.4471907656278520E-01
|
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1.860610029948577 0.4381456963535574E-01
|
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1.865749836661142 0.4292508201126756E-01
|
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1.870889643373707 0.4205035186964389E-01
|
|
1.876029450086273 0.4119012416274175E-01
|
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1.881169256798838 0.4034415042807132E-01
|
|
1.886309063511403 0.3951218860656226E-01
|
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1.891448870223968 0.3869400286197512E-01
|
|
1.896588676936533 0.3788936339799004E-01
|
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1.901728483649098 0.3709804628441324E-01
|
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1.906868290361663 0.3631983327671476E-01
|
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1.912008097074229 0.3555451163822577E-01
|
|
1.917147903786794 0.3480187397491558E-01
|
|
1.922287710499359 0.3406171804695505E-01
|
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1.927427517211924 0.3333384660465460E-01
|
|
1.932567323924489 0.3261806721516225E-01
|
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1.937707130637054 0.3191419214308130E-01
|
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1.942846937349619 0.3122203796073549E-01
|
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1.947986744062185 0.3054142572116885E-01
|
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1.953126550774750 0.2987218057919538E-01
|
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1.958266357487315 0.2921413167004923E-01
|
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1.963406164199880 0.2856711193935357E-01
|
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1.968545970912445 0.2793095798324194E-01
|
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1.973685777625010 0.2730550986929748E-01
|
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1.978825584337575 0.2669061098020419E-01
|
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1.983965391050140 0.2608610785085572E-01
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1.989105197762705 0.2549184974167254E-01
|
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1.994245004475271 0.2490768971330011E-01
|
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1.999384811187836 0.2433348249613063E-01
|
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2.004524617900401 0.2376908566865226E-01
|
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2.009664424612966 0.2321435924867873E-01
|
|
2.014804231325531 0.2266916590499229E-01
|
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2.019944038038096 0.2213336952257225E-01
|
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2.025083844750661 0.2160683740287760E-01
|
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2.030223651463226 0.2108943871861604E-01
|
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2.035363458175792 0.2058104478920159E-01
|
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2.040503264888357 0.2008152919359646E-01
|
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2.045643071600922 0.1959076750462841E-01
|
|
2.050782878313487 0.1910863738930626E-01
|
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2.055922685026052 0.1863501854346743E-01
|
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2.061062491738617 0.1816979259774963E-01
|
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2.066202298451183 0.1771284332928548E-01
|
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2.071342105163748 0.1726405625801978E-01
|
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2.076481911876312 0.1682331883451037E-01
|
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2.081621718588878 0.1639052035698810E-01
|
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2.086761525301443 0.1596555193920271E-01
|
|
2.091901332014008 0.1554830647176493E-01
|
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2.097041138726573 0.1513867859863020E-01
|
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2.102180945439138 0.1473656468031939E-01
|
|
2.107320752151704 0.1434186276406093E-01
|
|
2.112460558864269 0.1395447255332723E-01
|
|
2.117600365576834 0.1357429537287420E-01
|
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2.122740172289399 0.1320123416186993E-01
|
|
2.127879979001964 0.1283519340833704E-01
|
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2.133019785714529 0.1247607914506259E-01
|
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2.138159592427094 0.1212379891610861E-01
|
|
2.143299399139659 0.1177826175205251E-01
|
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2.148439205852224 0.1143937813284565E-01
|
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2.153579012564790 0.1110705997861039E-01
|
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2.158718819277355 0.1078122061318331E-01
|
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2.163858625989920 0.1046177474167363E-01
|
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2.168998432702485 0.1014863842512661E-01
|
|
2.174138239415050 0.9841729059957680E-02
|
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2.179278046127615 0.9540965348923736E-02
|
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2.184417852840181 0.9246267281444698E-02
|
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2.189557659552746 0.8957556110114428E-02
|
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2.194697466265310 0.8674754328627779E-02
|
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2.199837272977876 0.8397785649226957E-02
|
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2.204977079690441 0.8126574982429682E-02
|
|
2.210116886403006 0.7861048415359957E-02
|
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2.215256693115571 0.7601133191334306E-02
|
|
2.220396499828136 0.7346757689687780E-02
|
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2.225536306540702 0.7097851405931777E-02
|
|
2.230676113253267 0.6854344932591447E-02
|
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2.235815919965832 0.6616169939778479E-02
|
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2.240955726678397 0.6383259156776168E-02
|
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2.246095533390962 0.6155546353662779E-02
|
|
2.251235340103527 0.5932966323346015E-02
|
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2.256375146816092 0.5715454863932562E-02
|
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2.261514953528657 0.5502948761446227E-02
|
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2.266654760241222 0.5295385772859579E-02
|
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2.271794566953788 0.5092704609453106E-02
|
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2.276934373666353 0.4894844920487157E-02
|
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2.282074180378918 0.4701747277150291E-02
|
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2.287213987091483 0.4513353156976804E-02
|
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2.292353793804048 0.4329604928203503E-02
|
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2.297493600516613 0.4150445834779309E-02
|
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2.302633407229179 0.3975819981478951E-02
|
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2.307773213941744 0.3805672319324915E-02
|
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2.312913020654308 0.3639948631300695E-02
|
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2.318052827366874 0.3478595518290497E-02
|
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2.323192634079439 0.3321560385319110E-02
|
|
2.328332440792004 0.3168791428028423E-02
|
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2.333472247504569 0.3020237619407867E-02
|
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2.338612054217134 0.2875848696737952E-02
|
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2.343751860929700 0.2735575148944909E-02
|
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2.348891667642265 0.2599368203834744E-02
|
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2.354031474354830 0.2467179815916851E-02
|
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2.359171281067395 0.2338962654279177E-02
|
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2.364311087779960 0.2214670090718437E-02
|
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2.369450894492525 0.2094256188107436E-02
|
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2.374590701205090 0.1977675688867339E-02
|
|
2.379730507917655 0.1864884003877352E-02
|
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2.384870314630220 0.1755837201353869E-02
|
|
2.390010121342786 0.1650491996046104E-02
|
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2.395149928055351 0.1548805738529069E-02
|
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2.400289734767916 0.1450736405082392E-02
|
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2.405429541480481 0.1356242586962485E-02
|
|
2.410569348193046 0.1265283480637366E-02
|
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2.415709154905611 0.1177818877834781E-02
|
|
2.420848961618177 0.1093809155837023E-02
|
|
2.425988768330742 0.1013215267967770E-02
|
|
2.431128575043306 0.9359987341603263E-03
|
|
2.436268381755872 0.8621216318766615E-03
|
|
2.441408188468437 0.7915465870106275E-03
|
|
2.446547995181002 0.7242367650385817E-03
|
|
2.451687801893567 0.6601558623118641E-03
|
|
2.456827608606132 0.5992680973964618E-03
|
|
2.461967415318698 0.5415382031256405E-03
|
|
2.467107222031263 0.4869314176560117E-03
|
|
2.472247028743828 0.4354134768042323E-03
|
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2.477386835456393 0.3869506059819236E-03
|
|
2.482526642168958 0.3415095123740762E-03
|
|
2.487666448881523 0.2990573751756342E-03
|
|
2.492806255594088 0.2595618467119412E-03
|
|
2.497946062306653 0.2229910320211072E-03
|
|
2.503085869019218 0.1893134897594384E-03
|
|
2.508225675731784 0.1584982231421940E-03
|
|
2.513365482444349 0.1305146729177359E-03
|
|
2.518505289156914 0.1053326613911101E-03
|
|
2.523645095869479 0.8292258605551350E-04
|
|
2.528784902582044 0.6325512115291275E-04
|
|
2.533924709294609 0.4630139071956159E-04
|
|
2.539064516007175 0.3203292002255992E-04
|
|
2.544204322719740 0.2042162815437618E-04
|
|
2.549344129432304 0.1143801066149498E-04
|
|
2.554483936144870 0.5058226523641859E-05
|
|
2.559623742857435 0.1254296233929513E-05
|
|
2.564763549570000 0.000000000000000
|
|
1 4 1 1 0.000000 #orbital l, n, z, is_polarized, population
|
|
500 0.1933743327183080E-01 9.649379202643571 # npts, delta, cutoff
|
|
0.000000000000000 0.1231704601488039
|
|
0.1933743327183080E-01 0.1134139083574813
|
|
0.3867486654366160E-01 0.1116121453812649
|
|
0.5801229981549241E-01 0.1102559107987269
|
|
0.7734973308732321E-01 0.1091420921286245
|
|
0.9668716635915400E-01 0.1081911187926259
|
|
0.1160245996309848 0.1073618835133070
|
|
0.1353620329028156 0.1066298150972286
|
|
0.1546994661746464 0.1059788110423251
|
|
0.1740368994464772 0.1053976236660412
|
|
0.1933743327183080 0.1048780188003221
|
|
0.2127117659901388 0.1044137473629125
|
|
0.2320491992619696 0.1039999297257668
|
|
0.2513866325338004 0.1036326665830445
|
|
0.2707240658056312 0.1033087819308436
|
|
0.2900614990774620 0.1030256470055589
|
|
0.3093989323492928 0.1027810559013042
|
|
0.3287363656211236 0.1025731353339350
|
|
0.3480737988929544 0.1024002776385596
|
|
0.3674112321647852 0.1022610899647944
|
|
0.3867486654366160 0.1021543550354675
|
|
0.4060860987084469 0.1020790002947370
|
|
0.4254235319802777 0.1020340732617095
|
|
0.4447609652521085 0.1020187215288512
|
|
0.4640983985239392 0.1020321762913466
|
|
0.4834358317957700 0.1020737385742506
|
|
0.5027732650676009 0.1021427675574913
|
|
0.5221106983394317 0.1022386705281606
|
|
0.5414481316112625 0.1023608941116648
|
|
0.5607855648830933 0.1025089165081255
|
|
0.5801229981549241 0.1026822405234835
|
|
0.5994604314267549 0.1028803872255461
|
|
0.6187978646985857 0.1031028900925283
|
|
0.6381352979704165 0.1033492895534288
|
|
0.6574727312422473 0.1036191278262800
|
|
0.6768101645140780 0.1039119439950404
|
|
0.6961475977859088 0.1042272692669480
|
|
0.7154850310577396 0.1045646223667584
|
|
0.7348224643295704 0.1049235050363325
|
|
0.7541598976014012 0.1053033976123628
|
|
0.7734973308732320 0.1057037546623235
|
|
0.7928347641450629 0.1061240006712242
|
|
0.8121721974168937 0.1065635257654382
|
|
0.8315096306887245 0.1070216814776998
|
|
0.8508470639605553 0.1074977765556399
|
|
0.8701844972323861 0.1079910728214976
|
|
0.8895219305042169 0.1085007810980977
|
|
0.9088593637760477 0.1090260572186349
|
|
0.9281967970478785 0.1095659981420768
|
|
0.9475342303197093 0.1101196382069407
|
|
0.9668716635915401 0.1106859455484937
|
|
0.9862090968633709 0.1112638187232008
|
|
1.005546530135202 0.1118520835796104
|
|
1.024883963407033 0.1124494904194729
|
|
1.044221396678863 0.1130547115064882
|
|
1.063558829950694 0.1136663389721666
|
|
1.082896263222525 0.1142828831771522
|
|
1.102233696494356 0.1149027715883240
|
|
1.121571129766187 0.1155243482502153
|
|
1.140908563038017 0.1161458738930429
|
|
1.160245996309848 0.1167655267686108
|
|
1.179583429581679 0.1173814042706347
|
|
1.198920862853510 0.1179915253965309
|
|
1.218258296125341 0.1185938341528226
|
|
1.237595729397171 0.1191862039118954
|
|
1.256933162669002 0.1197664428293516
|
|
1.276270595940833 0.1203323003275865
|
|
1.295608029212664 0.1208814747298229
|
|
1.314945462484495 0.1214116220198422
|
|
1.334282895756325 0.1219203658097555
|
|
1.353620329028156 0.1224053084618132
|
|
1.372957762299987 0.1228640433790835
|
|
1.392295195571818 0.1232941684379113
|
|
1.411632628843648 0.1236933004800322
|
|
1.430970062115479 0.1240590908252586
|
|
1.450307495387310 0.1243892416726797
|
|
1.469644928659141 0.1246815233001706
|
|
1.488982361930972 0.1249337918830893
|
|
1.508319795202802 0.1251440077767577
|
|
1.527657228474633 0.1253102540715220
|
|
1.546994661746464 0.1254307551733701
|
|
1.566332095018295 0.1255038951914700
|
|
1.585669528290126 0.1255282358530362
|
|
1.605006961561957 0.1255025336686467
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7.290212343480213 0.2597145744284093E-02
|
|
7.309549776752043 0.2556408406369519E-02
|
|
7.328887210023874 0.2516199343392137E-02
|
|
7.348224643295705 0.2476511150767442E-02
|
|
7.367562076567536 0.2437336526027326E-02
|
|
7.386899509839366 0.2398668267309523E-02
|
|
7.406236943111197 0.2360499271871326E-02
|
|
7.425574376383028 0.2322822534628274E-02
|
|
7.444911809654859 0.2285631146715801E-02
|
|
7.464249242926690 0.2248918294074579E-02
|
|
7.483586676198520 0.2212677256058326E-02
|
|
7.502924109470351 0.2176901404066015E-02
|
|
7.522261542742182 0.2141584200191991E-02
|
|
7.541598976014013 0.2106719195902008E-02
|
|
7.560936409285843 0.2072300030728466E-02
|
|
7.580273842557674 0.2038320430986845E-02
|
|
7.599611275829505 0.2004774208513028E-02
|
|
7.618948709101336 0.1971655259419914E-02
|
|
7.638286142373166 0.1938957562874639E-02
|
|
7.657623575644998 0.1906675179895263E-02
|
|
7.676961008916829 0.1874802252163994E-02
|
|
7.696298442188660 0.1843333000864272E-02
|
|
7.715635875460490 0.1812261725531214E-02
|
|
7.734973308732321 0.1781582802922314E-02
|
|
7.754310742004152 0.1751290685904117E-02
|
|
7.773648175275983 0.1721379902362909E-02
|
|
7.792985608547813 0.1691845054118948E-02
|
|
7.812323041819644 0.1662680815870364E-02
|
|
7.831660475091475 0.1633881934147564E-02
|
|
7.850997908363306 0.1605443226284818E-02
|
|
7.870335341635136 0.1577359579408451E-02
|
|
7.889672774906967 0.1549625949436411E-02
|
|
7.909010208178798 0.1522237360102177E-02
|
|
7.928347641450629 0.1495188901984229E-02
|
|
7.947685074722459 0.1468475731554898E-02
|
|
7.967022507994290 0.1442093070241720E-02
|
|
7.986359941266121 0.1416036203508650E-02
|
|
8.005697374537952 0.1390300479939054E-02
|
|
8.025034807809783 0.1364881310344890E-02
|
|
8.044372241081614 0.1339774166883204E-02
|
|
8.063709674353445 0.1314974582187425E-02
|
|
8.083047107625275 0.1290478148509488E-02
|
|
8.102384540897106 0.1266280516879290E-02
|
|
8.121721974168937 0.1242377396272042E-02
|
|
8.141059407440768 0.1218764552790176E-02
|
|
8.160396840712599 0.1195437808856128E-02
|
|
8.179734273984430 0.1172393042421228E-02
|
|
8.199071707256261 0.1149626186177503E-02
|
|
8.218409140528092 0.1127133226789703E-02
|
|
8.237746573799921 0.1104910204134426E-02
|
|
8.257084007071752 0.1082953210551123E-02
|
|
8.276421440343583 0.1061258390104009E-02
|
|
8.295758873615414 0.1039821937854721E-02
|
|
8.315096306887245 0.1018640099145485E-02
|
|
8.334433740159076 0.9977091688926558E-03
|
|
8.353771173430907 0.9770254908904456E-03
|
|
8.373108606702738 0.9565854571241525E-03
|
|
8.392446039974567 0.9363855070960319E-03
|
|
8.411783473246398 0.9164221271549293E-03
|
|
8.431120906518229 0.8966918498414900E-03
|
|
8.450458339790060 0.8771912532397669E-03
|
|
8.469795773061891 0.8579169603387302E-03
|
|
8.489133206333722 0.8388656384022674E-03
|
|
8.508470639605553 0.8200339983492853E-03
|
|
8.527808072877384 0.8014187941414126E-03
|
|
8.547145506149214 0.7830168221798908E-03
|
|
8.566482939421045 0.7648249207108438E-03
|
|
8.585820372692876 0.7468399692380692E-03
|
|
8.605157805964707 0.7290588879486177E-03
|
|
8.624495239236538 0.7114786371367554E-03
|
|
8.643832672508369 0.6940962166458276E-03
|
|
8.663170105780200 0.6769086653130698E-03
|
|
8.682507539052031 0.6599130604232476E-03
|
|
8.701844972323862 0.6431065171690351E-03
|
|
8.721182405595691 0.6264861881206359E-03
|
|
8.740519838867522 0.6100492627010231E-03
|
|
8.759857272139353 0.5937929666692694E-03
|
|
8.779194705411184 0.5777145616108374E-03
|
|
8.798532138683015 0.5618113444346071E-03
|
|
8.817869571954846 0.5460806468783956E-03
|
|
8.837207005226677 0.5305198350179867E-03
|
|
8.856544438498508 0.5151263087861910E-03
|
|
8.875881871770337 0.4998975014968864E-03
|
|
8.895219305042168 0.4848308793758695E-03
|
|
8.914556738313999 0.4699239410975046E-03
|
|
8.933894171585830 0.4551742173310141E-03
|
|
8.953231604857661 0.4405792702859002E-03
|
|
8.972569038129492 0.4261366932707618E-03
|
|
8.991906471401323 0.4118441102545408E-03
|
|
9.011243904673155 0.3976991754345999E-03
|
|
9.030581337944984 0.3836995728097030E-03
|
|
9.049918771216815 0.3698430157606875E-03
|
|
9.069256204488646 0.3561272466349481E-03
|
|
9.088593637760477 0.3425500363373978E-03
|
|
9.107931071032308 0.3291091839267868E-03
|
|
9.127268504304139 0.3158025153190851E-03
|
|
9.146605937575970 0.3026278866701121E-03
|
|
9.165943370847801 0.2895831782554174E-03
|
|
9.185280804119630 0.2766662977389610E-03
|
|
9.204618237391461 0.2638751789665315E-03
|
|
9.223955670663292 0.2512077816115671E-03
|
|
9.243293103935123 0.2386620918159216E-03
|
|
9.262630537206954 0.2262361176992663E-03
|
|
9.281967970478785 0.2139278953591167E-03
|
|
9.301305403750616 0.2017354844817973E-03
|
|
9.320642837022447 0.1896569689372803E-03
|
|
9.339980270294278 0.1776904564198073E-03
|
|
9.359317703566107 0.1658340755848677E-03
|
|
9.378655136837938 0.1540859860202121E-03
|
|
9.397992570109770 0.1424443622794134E-03
|
|
9.417330003381601 0.1309074032322221E-03
|
|
9.436667436653432 0.1194733293178767E-03
|
|
9.456004869925263 0.1081403820483688E-03
|
|
9.475342303197094 0.9690682916515610E-04
|
|
9.494679736468925 0.8577094096823177E-04
|
|
9.514017169740754 0.7473102347453091E-04
|
|
9.533354603012585 0.6378539712527749E-04
|
|
9.552692036284416 0.5293240108622534E-04
|
|
9.572029469556247 0.4217039279476422E-04
|
|
9.591366902828078 0.3149763683358421E-04
|
|
9.610704336099909 0.2091273827369729E-04
|
|
9.630041769371740 0.1041404332793889E-04
|
|
9.649379202643571 0.000000000000000
|
|
# KBs:__________________________
|
|
0 0.5 1 4.0239553167632671 #kb l, j, n (sequence number), Reference energy
|
|
500 0.4104180526713427E-02 2.047986082830000 # npts, delta, cutoff
|
|
0.000000000000000 1.223485976780526
|
|
0.4104180526713427E-02 1.223477232220120
|
|
0.8208361053426854E-02 1.223460792061065
|
|
0.1231254158014028E-01 1.223433484300785
|
|
0.1641672210685371E-01 1.223395385959153
|
|
0.2052090263356714E-01 1.223346575761291
|
|
0.2462508316028056E-01 1.223287134071324
|
|
0.2872926368699399E-01 1.223217142885640
|
|
0.3283344421370742E-01 1.223136685884463
|
|
0.3693762474042084E-01 1.223045848444917
|
|
0.4104180526713427E-01 1.222944717703904
|
|
0.4514598579384770E-01 1.222833382573507
|
|
0.4925016632056112E-01 1.222711933807782
|
|
0.5335434684727455E-01 1.222580464033673
|
|
0.5745852737398797E-01 1.222439067808716
|
|
0.6156270790070140E-01 1.222287841648876
|
|
0.6566688842741483E-01 1.222126884098478
|
|
0.6977106895412825E-01 1.221956295749376
|
|
0.7387524948084169E-01 1.221776179296486
|
|
0.7797943000755511E-01 1.221586639567241
|
|
0.8208361053426855E-01 1.221387783555793
|
|
0.8618779106098197E-01 1.221179720448521
|
|
0.9029197158769539E-01 1.220962561642682
|
|
0.9439615211440883E-01 1.220736420766193
|
|
0.9850033264112225E-01 1.220501413675136
|
|
0.1026045131678357 1.220257658460750
|
|
0.1067086936945491 1.220005275432057
|
|
0.1108128742212625 1.219744387099797
|
|
0.1149170547479759 1.219475118152811
|
|
0.1190212352746894 1.219197595412278
|
|
0.1231254158014028 1.218911947791118
|
|
0.1272295963281162 1.218618306232240
|
|
0.1313337768548297 1.218316803636708
|
|
0.1354379573815431 1.218007574829003
|
|
0.1395421379082565 1.217690756405404
|
|
0.1436463184349699 1.217366486696195
|
|
0.1477504989616834 1.217034905637059
|
|
0.1518546794883968 1.216696154682759
|
|
0.1559588600151102 1.216350376685703
|
|
0.1600630405418237 1.215997715737811
|
|
0.1641672210685371 1.215638317119547
|
|
0.1682714015952505 1.215272327085787
|
|
0.1723755821219639 1.214899892809043
|
|
0.1764797626486774 1.214521162166491
|
|
0.1805839431753908 1.214136283682457
|
|
0.1846881237021042 1.213745406317741
|
|
0.1887923042288177 1.213348679354631
|
|
0.1928964847555311 1.212946252287995
|
|
0.1970006652822445 1.212538274625099
|
|
0.2011048458089579 1.212124895823787
|
|
0.2052090263356713 1.211706265081570
|
|
0.2093132068623848 1.211282531275525
|
|
0.2134173873890982 1.210853842793231
|
|
0.2175215679158116 1.210420347446425
|
|
0.2216257484425251 1.209982192312331
|
|
0.2257299289692385 1.209539523669869
|
|
0.2298341094959519 1.209092486870651
|
|
0.2339382900226653 1.208641226244229
|
|
0.2380424705493788 1.208185885018705
|
|
0.2421466510760922 1.207726605203988
|
|
0.2462508316028056 1.207263527558530
|
|
0.2503550121295191 1.206796791471631
|
|
0.2544591926562325 1.206326534919554
|
|
0.2585633731829459 1.205852894394687
|
|
0.2626675537096593 1.205376004844846
|
|
0.2667717342363727 1.204895999620532
|
|
0.2708759147630862 1.204413010448052
|
|
0.2749800952897996 1.203927167343338
|
|
0.2790842758165130 1.203438598620122
|
|
0.2831884563432265 1.202947430816443
|
|
0.2872926368699399 1.202453788694696
|
|
0.2913968173966533 1.201957795203228
|
|
0.2955009979233668 1.201459571453783
|
|
0.2996051784500802 1.200959236718270
|
|
0.3037093589767936 1.200456908407118
|
|
0.3078135395035070 1.199952702085036
|
|
0.3119177200302204 1.199446731448858
|
|
0.3160219005569339 1.198939108365925
|
|
0.3201260810836473 1.198429942879462
|
|
0.3242302616103607 1.197919343237944
|
|
0.3283344421370742 1.197407415940739
|
|
0.3324386226637876 1.196894265781568
|
|
0.3365428031905010 1.196379995921527
|
|
0.3406469837172145 1.195864707948652
|
|
0.3447511642439279 1.195348501984377
|
|
0.3488553447706413 1.194831476784015
|
|
0.3529595252973547 1.194313729847345
|
|
0.3570637058240682 1.193795357570475
|
|
0.3611678863507816 1.193276455397364
|
|
0.3652720668774950 1.192757117997218
|
|
0.3693762474042084 1.192237439441383
|
|
0.3734804279309218 1.191717513439628
|
|
0.3775846084576353 1.191197433552087
|
|
0.3816887889843487 1.190677293442718
|
|
0.3857929695110621 1.190157187143538
|
|
0.3898971500377756 1.189637209348101
|
|
0.3940013305644890 1.189117455702962
|
|
0.3981055110912024 1.188598023111046
|
|
0.4022096916179159 1.188079010079584
|
|
0.4063138721446293 1.187560517042598
|
|
0.4104180526713427 1.187042646707029
|
|
0.4145222331980561 1.186525504400843
|
|
0.4186264137247696 1.186009198425574
|
|
0.4227305942514830 1.185493840407843
|
|
0.4268347747781964 1.184979545636868
|
|
0.4309389553049098 1.184466433404267
|
|
0.4350431358316232 1.183954627320048
|
|
0.4391473163583367 1.183444255611359
|
|
0.4432514968850501 1.182935451403379
|
|
0.4473556774117635 1.182428352958137
|
|
0.4514598579384770 1.181923103893673
|
|
0.4555640384651904 1.181419853359653
|
|
0.4596682189919038 1.180918756159640
|
|
0.4637723995186173 1.180419972826710
|
|
0.4678765800453307 1.179923669643901
|
|
0.4719807605720441 1.179430018603880
|
|
0.4760849410987575 1.178939197303532
|
|
0.4801891216254709 1.178451388755518
|
|
0.4842933021521844 1.177966781128559
|
|
0.4883974826788978 1.177485567419496
|
|
0.4925016632056112 1.177007945016548
|
|
0.4966058437323247 1.176534115184294
|
|
0.5007100242590381 1.176064282469363
|
|
0.5048142047857516 1.175598653991323
|
|
0.5089183853124649 1.175137438645622
|
|
0.5130225658391784 1.174680846216680
|
|
0.5171267463658918 1.174229086385885
|
|
0.5212309268926052 1.173782367647155
|
|
0.5253351074193187 1.173340896131382
|
|
0.5294392879460321 1.172904874337545
|
|
0.5335434684727455 1.172474499777500
|
|
0.5376476489994589 1.172049963537448
|
|
0.5417518295261724 1.171631448766041
|
|
0.5458560100528858 1.171219129097908
|
|
0.5499601905795992 1.170813167006316
|
|
0.5540643711063127 1.170413712109317
|
|
0.5581685516330260 1.170020899441207
|
|
0.5622727321597395 1.169634847680156
|
|
0.5663769126864530 1.169255657394781
|
|
0.5704810932131663 1.168883409209067
|
|
0.5745852737398798 1.168518161866106
|
|
0.5786894542665932 1.168159950980245
|
|
0.5827936347933066 1.167808787490055
|
|
0.5868978153200201 1.167464653014266
|
|
0.5910019958467335 1.167127498106244
|
|
0.5951061763734469 1.166797263900566
|
|
0.5992103569001603 1.166473840907232
|
|
0.6033145374268738 1.166157056991691
|
|
0.6074187179535872 1.165846747870134
|
|
0.6115228984803006 1.165542719513587
|
|
0.6156270790070141 1.165244772941850
|
|
0.6197312595337274 1.164952791394431
|
|
0.6238354400604409 1.164666078684657
|
|
0.6279396205871544 1.164383653063688
|
|
0.6320438011138677 1.164106150542756
|
|
0.6361479816405812 1.163834724169347
|
|
0.6402521621672946 1.163568776938884
|
|
0.6443563426940080 1.163305904837775
|
|
0.6484605232207215 1.163040721744336
|
|
0.6525647037474349 1.162766547242334
|
|
0.6566688842741484 1.162481013552120
|
|
0.6607730648008617 1.162182846735366
|
|
0.6648772453275752 1.161872063900108
|
|
0.6689814258542887 1.161548555393897
|
|
0.6730856063810020 1.161211647728175
|
|
0.6771897869077155 1.160859975250571
|
|
0.6812939674344289 1.160493063499747
|
|
0.6853981479611423 1.160110824503802
|
|
0.6895023284878558 1.159712865137980
|
|
0.6936065090145692 1.159298785462074
|
|
0.6977106895412826 1.158868347455922
|
|
0.7018148700679960 1.158421373140405
|
|
0.7059190505947095 1.157957708294766
|
|
0.7100232311214228 1.157477239235930
|
|
0.7141274116481363 1.156979887577222
|
|
0.7182315921748498 1.156465601489294
|
|
0.7223357727015631 1.155934351653406
|
|
0.7264399532282766 1.155386126407952
|
|
0.7305441337549901 1.154820926921220
|
|
0.7346483142817034 1.154238763080877
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2.035673541249860 -0.1787721503429510E-04
|
|
2.039777721776573 -0.1847791378122189E-04
|
|
2.043881902303287 -0.1348897750720921E-04
|
|
2.047986082830000 0.000000000000000
|
|
1 0.5 1 2.9854577020458373 #kb l, j, n (sequence number), Reference energy
|
|
500 0.4104180526713427E-02 2.047986082830000 # npts, delta, cutoff
|
|
0.000000000000000 -0.7417799528133305
|
|
0.4104180526713427E-02 -0.7418401123372691
|
|
0.8208361053426854E-02 -0.7420070326626707
|
|
0.1231254158014028E-01 -0.7422846539507927
|
|
0.1641672210685371E-01 -0.7426723773841449
|
|
0.2052090263356714E-01 -0.7431694936572374
|
|
0.2462508316028056E-01 -0.7437751841431078
|
|
0.2872926368699399E-01 -0.7444885207294601
|
|
0.3283344421370742E-01 -0.7453084663918635
|
|
0.3693762474042084E-01 -0.7462338757818023
|
|
0.4104180526713427E-01 -0.7472634956941830
|
|
0.4514598579384770E-01 -0.7483959657923944
|
|
0.4925016632056112E-01 -0.7496298191412332
|
|
0.5335434684727455E-01 -0.7509634831035552
|
|
0.5745852737398797E-01 -0.7523952802738518
|
|
0.6156270790070140E-01 -0.7539234290395163
|
|
0.6566688842741483E-01 -0.7555460449049501
|
|
0.6977106895412825E-01 -0.7572611415312884
|
|
0.7387524948084169E-01 -0.7590666317449259
|
|
0.7797943000755511E-01 -0.7609603288790562
|
|
0.8208361053426855E-01 -0.7629399482372026
|
|
0.8618779106098197E-01 -0.7650031083840962
|
|
0.9029197158769539E-01 -0.7671473326640443
|
|
0.9439615211440883E-01 -0.7693700510261471
|
|
0.9850033264112225E-01 -0.7716686017018969
|
|
0.1026045131678357 -0.7740402328085826
|
|
0.1067086936945491 -0.7764821047809960
|
|
0.1108128742212625 -0.7789912918607046
|
|
0.1149170547479759 -0.7815647848398516
|
|
0.1190212352746894 -0.7841994928363861
|
|
0.1231254158014028 -0.7868922458399206
|
|
0.1272295963281162 -0.7896397973650623
|
|
0.1313337768548297 -0.7924388265052779
|
|
0.1354379573815431 -0.7952859413176395
|
|
0.1395421379082565 -0.7981776806782542
|
|
0.1436463184349699 -0.8011105179174682
|
|
0.1477504989616834 -0.8040808634391201
|
|
0.1518546794883968 -0.8070850672487009
|
|
0.1559588600151102 -0.8101194229640066
|
|
0.1600630405418237 -0.8131801699643254
|
|
0.1641672210685371 -0.8162634973475250
|
|
0.1682714015952505 -0.8193655465998685
|
|
0.1723755821219639 -0.8224824152233424
|
|
0.1764797626486774 -0.8256101600042999
|
|
0.1805839431753908 -0.8287448003473603
|
|
0.1846881237021042 -0.8318823216118733
|
|
0.1887923042288177 -0.8350186787692200
|
|
0.1928964847555311 -0.8381497994269778
|
|
0.1970006652822445 -0.8412715877426559
|
|
0.2011048458089579 -0.8443799276086120
|
|
0.2052090263356713 -0.8474706860791444
|
|
0.2093132068623848 -0.8505397170342210
|
|
0.2134173873890982 -0.8535828644065869
|
|
0.2175215679158116 -0.8565959658178488
|
|
0.2216257484425251 -0.8595748557154324
|
|
0.2257299289692385 -0.8625153690984797
|
|
0.2298341094959519 -0.8654133445251363
|
|
0.2339382900226653 -0.8682646278023425
|
|
0.2380424705493788 -0.8710650750098129
|
|
0.2421466510760922 -0.8738105559014777
|
|
0.2462508316028056 -0.8764969572336587
|
|
0.2503550121295191 -0.8791201858026269
|
|
0.2544591926562325 -0.8816761715881499
|
|
0.2585633731829459 -0.8841608712207786
|
|
0.2626675537096593 -0.8865702705441943
|
|
0.2667717342363727 -0.8889003881874424
|
|
0.2708759147630862 -0.8911472782091382
|
|
0.2749800952897996 -0.8933070332395737
|
|
0.2790842758165130 -0.8953757873166689
|
|
0.2831884563432265 -0.8973497187875870
|
|
0.2872926368699399 -0.8992250530596709
|
|
0.2913968173966533 -0.9009980655604212
|
|
0.2955009979233668 -0.9026650842041529
|
|
0.2996051784500802 -0.9042224922187694
|
|
0.3037093589767936 -0.9056667305540880
|
|
0.3078135395035070 -0.9069943007016770
|
|
0.3119177200302204 -0.9082017668475331
|
|
0.3160219005569339 -0.9092857583929906
|
|
0.3201260810836473 -0.9102429723037853
|
|
0.3242302616103607 -0.9110701752457396
|
|
0.3283344421370742 -0.9117642057403252
|
|
0.3324386226637876 -0.9123219762288632
|
|
0.3365428031905010 -0.9127404750136424
|
|
0.3406469837172145 -0.9130167680367111
|
|
0.3447511642439279 -0.9131480006917055
|
|
0.3488553447706413 -0.9131313994682023
|
|
0.3529595252973547 -0.9129642733816719
|
|
0.3570637058240682 -0.9126440153910770
|
|
0.3611678863507816 -0.9121681037272628
|
|
0.3652720668774950 -0.9115341030189783
|
|
0.3693762474042084 -0.9107396653088136
|
|
0.3734804279309218 -0.9097825309577865
|
|
0.3775846084576353 -0.9086605294925469
|
|
0.3816887889843487 -0.9073715802414092
|
|
0.3857929695110621 -0.9059136928821545
|
|
0.3898971500377756 -0.9042849679187864
|
|
0.3940013305644890 -0.9024835969973535
|
|
0.3981055110912024 -0.9005078631213016
|
|
0.4022096916179159 -0.8983561408758832
|
|
0.4063138721446293 -0.8960268964479309
|
|
0.4104180526713427 -0.8935186875665497
|
|
0.4145222331980561 -0.8908301634863054
|
|
0.4186264137247696 -0.8879600648520491
|
|
0.4227305942514830 -0.8849072234612579
|
|
0.4268347747781964 -0.8816705621594129
|
|
0.4309389553049098 -0.8782490945248450
|
|
0.4350431358316232 -0.8746419247113500
|
|
0.4391473163583367 -0.8708482472538434
|
|
0.4432514968850501 -0.8668673467840284
|
|
0.4473556774117635 -0.8626985979991921
|
|
0.4514598579384770 -0.8583414655253615
|
|
0.4555640384651904 -0.8537955038789056
|
|
0.4596682189919038 -0.8490603575806812
|
|
0.4637723995186173 -0.8441357612773016
|
|
0.4678765800453307 -0.8390215400074518
|
|
0.4719807605720441 -0.8337176095972472
|
|
0.4760849410987575 -0.8282239771791569
|
|
0.4801891216254709 -0.8225407418062367
|
|
0.4842933021521844 -0.8166680952356438
|
|
0.4883974826788978 -0.8106063229085173
|
|
0.4925016632056112 -0.8043558050146513
|
|
0.4966058437323247 -0.7979170177189558
|
|
0.5007100242590381 -0.7912905345277090
|
|
0.5048142047857516 -0.7844770278645155
|
|
0.5089183853124649 -0.7774772707469895
|
|
0.5130225658391784 -0.7702921385386733
|
|
0.5171267463658918 -0.7629226109115885
|
|
0.5212309268926052 -0.7553697738880104
|
|
0.5253351074193187 -0.7476348219499852
|
|
0.5294392879460321 -0.7397190602331626
|
|
0.5335434684727455 -0.7316239067708227
|
|
0.5376476489994589 -0.7233508947384057
|
|
0.5417518295261724 -0.7149016747445902
|
|
0.5458560100528858 -0.7062780171776640
|
|
0.5499601905795992 -0.6974818142572008
|
|
0.5540643711063127 -0.6885150821004765
|
|
0.5581685516330260 -0.6793799627881462
|
|
0.5622727321597395 -0.6700787261964931
|
|
0.5663769126864530 -0.6606137715093929
|
|
0.5704810932131663 -0.6509876287500327
|
|
0.5745852737398798 -0.6412029603353847
|
|
0.5786894542665932 -0.6312625605626745
|
|
0.5827936347933066 -0.6211693556466769
|
|
0.5868978153200201 -0.6109264119030110
|
|
0.5910019958467335 -0.6005369358528886
|
|
0.5951061763734469 -0.5900042109541539
|
|
0.5992103569001603 -0.5793317038216836
|
|
0.6033145374268738 -0.5685230922819016
|
|
0.6074187179535872 -0.5575820695151634
|
|
0.6115228984803006 -0.5465124344153807
|
|
0.6156270790070141 -0.5353180340412472
|
|
0.6197312595337274 -0.5240025338777995
|
|
0.6238354400604409 -0.5125711060114634
|
|
0.6279396205871544 -0.5010296771385485
|
|
0.6320438011138677 -0.4893800037017318
|
|
0.6361479816405812 -0.4776225005095413
|
|
0.6402521621672946 -0.4657621949854607
|
|
0.6443563426940080 -0.4538087066175432
|
|
0.6484605232207215 -0.4417789015573381
|
|
0.6525647037474349 -0.4296926812440576
|
|
0.6566688842741484 -0.4175587199773881
|
|
0.6607730648008617 -0.4053828515120712
|
|
0.6648772453275752 -0.3931677397436910
|
|
0.6689814258542887 -0.3809163058722856
|
|
0.6730856063810020 -0.3686328360238831
|
|
0.6771897869077155 -0.3563232959601387
|
|
0.6812939674344289 -0.3439914324131372
|
|
0.6853981479611423 -0.3316400131612326
|
|
0.6895023284878558 -0.3192725442067850
|
|
0.6936065090145692 -0.3068925325895653
|
|
0.6977106895412826 -0.2945030755560856
|
|
0.7018148700679960 -0.2821071133802708
|
|
0.7059190505947095 -0.2697075192220681
|
|
0.7100232311214228 -0.2573070587654794
|
|
0.7141274116481363 -0.2449084030431293
|
|
0.7182315921748498 -0.2325141494733656
|
|
0.7223357727015631 -0.2201268310856039
|
|
0.7264399532282766 -0.2077489271877514
|
|
0.7305441337549901 -0.1953828735263482
|
|
0.7346483142817034 -0.1830310704736570
|
|
0.7387524948084169 -0.1706958900092209
|
|
0.7428566753351303 -0.1583796817833729
|
|
0.7469608558618437 -0.1460847780861776
|
|
0.7510650363885572 -0.1338134978192918
|
|
0.7551692169152706 -0.1215681496270429
|
|
0.7592733974419840 -0.1093510342053353
|
|
0.7633775779686974 -0.9716444590457175E-01
|
|
0.7674817584954109 -0.8501067358984223E-01
|
|
0.7715859390221242 -0.7289200100933292E-01
|
|
0.7756901195488377 -0.6081070662451819E-01
|
|
0.7797943000755512 -0.4876906305306172E-01
|
|
0.7838984806022645 -0.3676933609119123E-01
|
|
0.7880026611289780 -0.2481378338490130E-01
|
|
0.7921068416556915 -0.1290465287859814E-01
|
|
0.7962110221824048 -0.1044181067724730E-02
|
|
0.8003152027091183 0.1076540894942414E-01
|
|
0.8044193832358317 0.2252190954181160E-01
|
|
0.8085235637625451 0.3422313070890495E-01
|
|
0.8126277442892585 0.4586690231298526E-01
|
|
0.8167319248159720 0.5745107634498747E-01
|
|
0.8208361053426854 0.6897352919790742E-01
|
|
0.8249402858693988 0.8043216393440322E-01
|
|
0.8290444663961123 0.9182491249844460E-01
|
|
0.8331486469228256 0.1031497379075797
|
|
0.8372528274495391 0.1144046363717366
|
|
0.8413570079762526 0.1255876393393244
|
|
0.8454611885029659 0.1366968154630962
|
|
0.8495653690296794 0.1477302724588169
|
|
0.8536695495563928 0.1586861588872000
|
|
0.8577737300831062 0.1695626658061404
|
|
0.8618779106098197 0.1803580283339308
|
|
0.8659820911365331 0.1910705270902346
|
|
0.8700862716632465 0.2016984895344131
|
|
0.8741904521899599 0.2122402911880202
|
|
0.8782946327166734 0.2226943567148363
|
|
0.8823988132433868 0.2330591609109806
|
|
0.8865029937701002 0.2433332295679995
|
|
0.8906071742968137 0.2535151402341587
|
|
0.8947113548235270 0.2636035228534635
|
|
0.8988155353502405 0.2735970603005213
|
|
0.9029197158769540 0.2834944887991618
|
|
0.9070238964036673 0.2932945982422716
|
|
0.9111280769303808 0.3029962324079515
|
|
0.9152322574570942 0.3125982890689113
|
|
0.9193364379838076 0.3220997200113220
|
|
0.9234406185105211 0.3314995309623211
|
|
0.9275447990372345 0.3407967814209309
|
|
0.9316489795639480 0.3499905844094669
|
|
0.9357531600906613 0.3590801061273042
|
|
0.9398573406173748 0.3680645655377517
|
|
0.9439615211440883 0.3769432338714449
|
|
0.9480657016708016 0.3857154340621544
|
|
0.9521698821975151 0.3943805401086751
|
|
0.9562740627242285 0.4029379763692061
|
|
0.9603782432509419 0.4113872167994385
|
|
0.9644824237776554 0.4197277841207148
|
|
0.9685866043043688 0.4279592489486151
|
|
0.9726907848310822 0.4360812288331034
|
|
0.9767949653577956 0.4440933872911229
|
|
0.9808991458845091 0.4519954327536232
|
|
0.9850033264112225 0.4597871175323356
|
|
0.9891075069379359 0.4674682366755353
|
|
0.9932116874646494 0.4750386268403809
|
|
0.9973158679913627 0.4824981650573251
|
|
1.001420048518076 0.4898467675391385
|
|
1.005524229044790 0.4970843884137082
|
|
1.009628409571503 0.5042110184766810
|
|
1.013732590098216 0.5112266838794579
|
|
1.017836770624930 0.5181314448124453
|
|
1.021940951151643 0.5249253941723625
|
|
1.026045131678357 0.5316086562037984
|
|
1.030149312205070 0.5381813851412295
|
|
1.034253492731784 0.5446437638105344
|
|
1.038357673258497 0.5509960022513101
|
|
1.042461853785210 0.5572383363150706
|
|
1.046566034311924 0.5633710262720476
|
|
1.050670214838637 0.5693943554063525
|
|
1.054774395365351 0.5753086286061134
|
|
1.058878575892064 0.5811141709735056
|
|
1.062982756418778 0.5868113264159412
|
|
1.067086936945491 0.5924004562614263
|
|
1.071191117472204 0.5978819378526373
|
|
1.075295297998918 0.6032561631723767
|
|
1.079399478525631 0.6085235374701586
|
|
1.083503659052345 0.6136844778964001
|
|
1.087607839579058 0.6187394121623526
|
|
1.091712020105772 0.6236887772005717
|
|
1.095816200632485 0.6285330178444724
|
|
1.099920381159198 0.6332725855296496
|
|
1.104024561685912 0.6379079370051099
|
|
1.108128742212625 0.6424395330740981
|
|
1.112232922739339 0.6468678373382634
|
|
1.116337103266052 0.6511933149790370
|
|
1.120441283792766 0.6554164315566812
|
|
1.124545464319479 0.6595376518266517
|
|
1.128649644846192 0.6635574385996581
|
|
1.132753825372906 0.6674762516065081
|
|
1.136858005899619 0.6712945464043492
|
|
1.140962186426333 0.6750127732971004
|
|
1.145066366953046 0.6786313762959872
|
|
1.149170547479760 0.6821507921049926
|
|
1.153274728006473 0.6855714491351328
|
|
1.157378908533186 0.6888937665561448
|
|
1.161483089059900 0.6921181533731668
|
|
1.165587269586613 0.6952450075412913
|
|
1.169691450113327 0.6982747151089589
|
|
1.173795630640040 0.7012076493996966
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|
1.177899811166754 0.7040441702275531
|
|
1.182003991693467 0.7067846231456014
|
|
1.186108172220181 0.7094293387377453
|
|
1.190212352746894 0.7119786319401771
|
|
1.194316533273607 0.7144328014026061
|
|
1.198420713800321 0.7167921288896507
|
|
1.202524894327034 0.7190568787182215
|
|
1.206629074853748 0.7212272972343809
|
|
1.210733255380461 0.7233036123351410
|
|
1.214837435907174 0.7252860330187748
|
|
1.218941616433888 0.7271747489884131
|
|
1.223045796960601 0.7289699302914804
|
|
1.227149977487315 0.7306717270033767
|
|
1.231254158014028 0.7322802689514739
|
|
1.235358338540742 0.7337956654890636
|
|
1.239462519067455 0.7352180052887487
|
|
1.243566699594168 0.7365473562279405
|
|
1.247670880120882 0.7377837652724728
|
|
1.251775060647595 0.7389272584180095
|
|
1.255879241174309 0.7399778407091949
|
|
1.259983421701022 0.7409354962254072
|
|
1.264087602227735 0.7418001881905303
|
|
1.268191782754449 0.7425718590983864
|
|
1.272295963281162 0.7432504308679562
|
|
1.276400143807876 0.7438358050984502
|
|
1.280504324334589 0.7443278633189119
|
|
1.284608504861303 0.7447264673093180
|
|
1.288712685388016 0.7450314594705476
|
|
1.292816865914729 0.7452426632304406
|
|
1.296921046441443 0.7453598835108378
|
|
1.301025226968156 0.7453829072359253
|
|
1.305129407494870 0.7453115038996072
|
|
1.309233588021583 0.7451454261620235
|
|
1.313337768548297 0.7448844105165174
|
|
1.317441949075010 0.7445281779968841
|
|
1.321546129601723 0.7440764349327492
|
|
1.325650310128437 0.7435288737628039
|
|
1.329754490655150 0.7428851738895660
|
|
1.333858671181864 0.7421450025866272
|
|
1.337962851708577 0.7413080159628046
|
|
1.342067032235291 0.7403738599584522
|
|
1.346171212762004 0.7393421714096833
|
|
1.350275393288717 0.7382125791529061
|
|
1.354379573815431 0.7369847051828570
|
|
1.358483754342144 0.7356581658540408
|
|
1.362587934868858 0.7342325731366691
|
|
1.366692115395571 0.7327075359165139
|
|
1.370796295922285 0.7310826613524236
|
|
1.374900476448998 0.7293575562611883
|
|
1.379004656975712 0.7275318285694906
|
|
1.383108837502425 0.7256050888015675
|
|
1.387213018029138 0.7235769516195840
|
|
1.391317198555852 0.7214470373971709
|
|
1.395421379082565 0.7192149738481903
|
|
1.399525559609279 0.7168803976910630
|
|
1.403629740135992 0.7144429563667375
|
|
1.407733920662706 0.7119023097749101
|
|
1.411838101189419 0.7092581320712339
|
|
1.415942281716132 0.7065101134929710
|
|
1.420046462242846 0.7036579622220989
|
|
1.424150642769559 0.7007014062888877
|
|
1.428254823296273 0.6976401954970424
|
|
1.432359003822986 0.6944741033929652
|
|
1.436463184349700 0.6912029292570391
|
|
1.440567364876413 0.6878265001334296
|
|
1.444671545403126 0.6843446728651751
|
|
1.448775725929840 0.6807573361732292
|
|
1.452879906456553 0.6770644127469595
|
|
1.456984086983267 0.6732658613550756
|
|
1.461088267509980 0.6693616789724754
|
|
1.465192448036693 0.6653519029203757
|
|
1.469296628563407 0.6612366130167333
|
|
1.473400809090120 0.6570159337338742
|
|
1.477504989616834 0.6526900363607969
|
|
1.481609170143547 0.6482591411651719
|
|
1.485713350670261 0.6437235195539638
|
|
1.489817531196974 0.6390834962301025
|
|
1.493921711723687 0.6343394513250614
|
|
1.498025892250401 0.6294918225473919
|
|
1.502130072777114 0.6245411072850633
|
|
1.506234253303828 0.6194878646992144
|
|
1.510338433830541 0.6143327177942205
|
|
1.514442614357254 0.6090763554327906
|
|
1.518546794883968 0.6037195343694121
|
|
1.522650975410681 0.5982630811910650
|
|
1.526755155937395 0.5927078942476259
|
|
1.530859336464108 0.5870549454875927
|
|
1.534963516990822 0.5813052823235847
|
|
1.539067697517535 0.5754600293602682
|
|
1.543171878044248 0.5695203900944544
|
|
1.547276058570962 0.5634876485531433
|
|
1.551380239097675 0.5573631707898541
|
|
1.555484419624389 0.5511484064429647
|
|
1.559588600151102 0.5448448900713537
|
|
1.563692780677816 0.5384542424650995
|
|
1.567796961204529 0.5319781718645309
|
|
1.571901141731243 0.5254184749975067
|
|
1.576005322257956 0.5187770381838718
|
|
1.580109502784669 0.5120558381551680
|
|
1.584213683311383 0.5052569428412601
|
|
1.588317863838096 0.4983825120388334
|
|
1.592422044364810 0.4914347978488167
|
|
1.596526224891523 0.4844161452065635
|
|
1.600630405418237 0.4773289920448081
|
|
1.604734585944950 0.4701758694266304
|
|
1.608838766471663 0.4629594015302739
|
|
1.612942946998377 0.4556823053699233
|
|
1.617047127525090 0.4483473906046088
|
|
1.621151308051804 0.4409575589325444
|
|
1.625255488578517 0.4335158034703076
|
|
1.629359669105231 0.4260252078080813
|
|
1.633463849631944 0.4184889451538368
|
|
1.637568030158657 0.4109102770487980
|
|
1.641672210685371 0.4032925520168266
|
|
1.645776391212084 0.3956392040325823
|
|
1.649880571738798 0.3879537506801747
|
|
1.653984752265511 0.3802397913679140
|
|
1.658088932792225 0.3725010051138558
|
|
1.662193113318938 0.3647411482448641
|
|
1.666297293845651 0.3569640518959634
|
|
1.670401474372365 0.3491736192244235
|
|
1.674505654899078 0.3413738225977751
|
|
1.678609835425792 0.3335687004142108
|
|
1.682714015952505 0.3257623537975580
|
|
1.686818196479219 0.3179589430764492
|
|
1.690922377005932 0.3101626840667797
|
|
1.695026557532645 0.3023778441226833
|
|
1.699130738059359 0.2946087380502843
|
|
1.703234918586072 0.2868597237557434
|
|
1.707339099112786 0.2791351977269782
|
|
1.711443279639499 0.2714395903021070
|
|
1.715547460166212 0.2637773607982640
|
|
1.719651640692926 0.2561529923316243
|
|
1.723755821219639 0.2485709865662760
|
|
1.727860001746353 0.2410358582193960
|
|
1.731964182273066 0.2335521293618751
|
|
1.736068362799780 0.2261243237148022
|
|
1.740172543326493 0.2187569604091837
|
|
1.744276723853206 0.2114545479369037
|
|
1.748380904379920 0.2042215777637756
|
|
1.752485084906633 0.1970625177457165
|
|
1.756589265433347 0.1899818057526599
|
|
1.760693445960060 0.1829838424088290
|
|
1.764797626486774 0.1760729844078411
|
|
1.768901807013487 0.1692535373553319
|
|
1.773005987540200 0.1625297485439549
|
|
1.777110168066914 0.1559057995822051
|
|
1.781214348593627 0.1493857990333067
|
|
1.785318529120341 0.1429737746774492
|
|
1.789422709647054 0.1366736659446231
|
|
1.793526890173768 0.1304893161188084
|
|
1.797631070700481 0.1244244639114616
|
|
1.801735251227194 0.1184827379490386
|
|
1.805839431753908 0.1126676450428928
|
|
1.809943612280621 0.1069825644834929
|
|
1.814047792807335 0.1014307393794392
|
|
1.818151973334048 0.9601526849602063E-01
|
|
1.822256153860762 0.9073909995350797E-01
|
|
1.826360334387475 0.8560501460267463E-01
|
|
1.830464514914188 0.8061563118214302E-01
|
|
1.834568695440902 0.7577338912828228E-01
|
|
1.838672875967615 0.7108054235079488E-01
|
|
1.842777056494329 0.6653914172179978E-01
|
|
1.846881237021042 0.6215106530533582E-01
|
|
1.850985417547756 0.5791795116632210E-01
|
|
1.855089598074469 0.5384122625252626E-01
|
|
1.859193778601183 0.4992208966958901E-01
|
|
1.863297959127896 0.4616150459758173E-01
|
|
1.867402139654609 0.4256021701020819E-01
|
|
1.871506320181323 0.3911863226585328E-01
|
|
1.875610500708036 0.3583698801828940E-01
|
|
1.879714681234750 0.3271522845510087E-01
|
|
1.883818861761463 0.2975302378747860E-01
|
|
1.887923042288177 0.2694976179025790E-01
|
|
1.892027222814890 0.2430447939924396E-01
|
|
1.896131403341603 0.2181611795998781E-01
|
|
1.900235583868317 0.1948309246958065E-01
|
|
1.904339764395030 0.1730356460167951E-01
|
|
1.908443944921744 0.1527536770322459E-01
|
|
1.912548125448457 0.1339652099943772E-01
|
|
1.916652305975170 0.1166305077906895E-01
|
|
1.920756486501884 0.1007225170414742E-01
|
|
1.924860667028597 0.8620626330340162E-02
|
|
1.928964847555311 0.7304340960778480E-02
|
|
1.933069028082024 0.6119209933272051E-02
|
|
1.937173208608738 0.5060264131989298E-02
|
|
1.941277389135451 0.4123464291794560E-02
|
|
1.945381569662164 0.3303045893965626E-02
|
|
1.949485750188878 0.2593175747392127E-02
|
|
1.953589930715591 0.1987553153643109E-02
|
|
1.957694111242305 0.1479405704707972E-02
|
|
1.961798291769018 0.1061380814888351E-02
|
|
1.965902472295731 0.7260461949185835E-03
|
|
1.970006652822445 0.4651869917718578E-03
|
|
1.974110833349158 0.2703261359748342E-03
|
|
1.978215013875872 0.1326844110244880E-03
|
|
1.982319194402585 0.4327169544105657E-04
|
|
1.986423374929299 -0.5423131976114316E-05
|
|
1.990527555456012 -0.2585473423679577E-04
|
|
1.994631735982725 -0.2540740985512731E-04
|
|
1.998735916509439 -0.1239814816181999E-04
|
|
2.002840097036152 0.5593857768459914E-05
|
|
2.006944277562866 0.2198644920417426E-04
|
|
2.011048458089579 0.2309634339449812E-04
|
|
2.015152638616293 0.2265704704915304E-04
|
|
2.019256819143006 0.1232409184760662E-04
|
|
2.023360999669720 -0.7321336022599433E-05
|
|
2.027465180196433 -0.3360509908477492E-04
|
|
2.031569360723146 -0.6156568364967200E-04
|
|
2.035673541249860 -0.3623808412418252E-04
|
|
2.039777721776573 -0.3872685668640974E-04
|
|
2.043881902303287 -0.2884982974389258E-04
|
|
2.047986082830000 0.000000000000000
|
|
1 1.5 1 3.2566811235052211 #kb l, j, n (sequence number), Reference energy
|
|
500 0.4104180526713427E-02 2.047986082830000 # npts, delta, cutoff
|
|
0.000000000000000 -1.242751696711099
|
|
0.4104180526713427E-02 -1.242805819156364
|
|
0.8208361053426854E-02 -1.242953963757425
|
|
0.1231254158014028E-01 -1.243200248277115
|
|
0.1641672210685371E-01 -1.243544020384823
|
|
0.2052090263356714E-01 -1.243984501611817
|
|
0.2462508316028056E-01 -1.244520788705860
|
|
0.2872926368699399E-01 -1.245151853496389
|
|
0.3283344421370742E-01 -1.245876543606812
|
|
0.3693762474042084E-01 -1.246693583165480
|
|
0.4104180526713427E-01 -1.247601573427916
|
|
0.4514598579384770E-01 -1.248598993675559
|
|
0.4925016632056112E-01 -1.249684201897459
|
|
0.5335434684727455E-01 -1.250855435922347
|
|
0.5745852737398797E-01 -1.252110814570597
|
|
0.6156270790070140E-01 -1.253448338415665
|
|
0.6566688842741483E-01 -1.254865891395489
|
|
0.6977106895412825E-01 -1.256361242115844
|
|
0.7387524948084169E-01 -1.257932045141811
|
|
0.7797943000755511E-01 -1.259575842646986
|
|
0.8208361053426855E-01 -1.261290066211521
|
|
0.8618779106098197E-01 -1.263072038436519
|
|
0.9029197158769539E-01 -1.264918974835305
|
|
0.9439615211440883E-01 -1.266827986030410
|
|
0.9850033264112225E-01 -1.268796079825866
|
|
0.1026045131678357 -1.270820163206815
|
|
0.1067086936945491 -1.272897045224357
|
|
0.1108128742212625 -1.275023438875571
|
|
0.1149170547479759 -1.277195964384204
|
|
0.1190212352746894 -1.279411151368163
|
|
0.1231254158014028 -1.281665441900894
|
|
0.1272295963281162 -1.283955193715022
|
|
0.1313337768548297 -1.286276682654745
|
|
0.1354379573815431 -1.288626106747006
|
|
0.1395421379082565 -1.290999588430086
|
|
0.1436463184349699 -1.293393178875511
|
|
0.1477504989616834 -1.295802861125201
|
|
0.1518546794883968 -1.298224553138051
|
|
0.1559588600151102 -1.300654112502275
|
|
0.1600630405418237 -1.303087339066278
|
|
0.1641672210685371 -1.305519979576946
|
|
0.1682714015952505 -1.307947730907793
|
|
0.1723755821219639 -1.310366244335418
|
|
0.1764797626486774 -1.312771129419865
|
|
0.1805839431753908 -1.315157957980493
|
|
0.1846881237021042 -1.317522268030952
|
|
0.1887923042288177 -1.319859568137640
|
|
0.1928964847555311 -1.322165340993783
|
|
0.1970006652822445 -1.324435048068670
|
|
0.2011048458089579 -1.326664133372456
|
|
0.2052090263356713 -1.328848027545827
|
|
0.2093132068623848 -1.330982152180863
|
|
0.2134173873890982 -1.333061923668057
|
|
0.2175215679158116 -1.335082757495490
|
|
0.2216257484425251 -1.337040072000926
|
|
0.2257299289692385 -1.338929292754929
|
|
0.2298341094959519 -1.340745856175266
|
|
0.2339382900226653 -1.342485213881269
|
|
0.2380424705493788 -1.344142836284115
|
|
0.2421466510760922 -1.345714216650538
|
|
0.2462508316028056 -1.347194875026288
|
|
0.2503550121295191 -1.348580361873120
|
|
0.2544591926562325 -1.349866261777054
|
|
0.2585633731829459 -1.351048197571695
|
|
0.2626675537096593 -1.352121833387054
|
|
0.2667717342363727 -1.353082878865152
|
|
0.2708759147630862 -1.353927092323734
|
|
0.2749800952897996 -1.354650284433018
|
|
0.2790842758165130 -1.355248321614128
|
|
0.2831884563432265 -1.355717129439662
|
|
0.2872926368699399 -1.356052695897400
|
|
0.2913968173966533 -1.356251074859621
|
|
0.2955009979233668 -1.356308389011327
|
|
0.2996051784500802 -1.356220833152686
|
|
0.3037093589767936 -1.355984677045047
|
|
0.3078135395035070 -1.355596268701237
|
|
0.3119177200302204 -1.355052036914004
|
|
0.3160219005569339 -1.354348494193187
|
|
0.3201260810836473 -1.353482239515617
|
|
0.3242302616103607 -1.352449960808582
|
|
0.3283344421370742 -1.351248437450490
|
|
0.3324386226637876 -1.349874542672283
|
|
0.3365428031905010 -1.348325245800120
|
|
0.3406469837172145 -1.346597614315974
|
|
0.3447511642439279 -1.344688815945364
|
|
0.3488553447706413 -1.342596120545083
|
|
0.3529595252973547 -1.340316901749943
|
|
0.3570637058240682 -1.337848638593510
|
|
0.3611678863507816 -1.335188917017709
|
|
0.3652720668774950 -1.332335431157767
|
|
0.3693762474042084 -1.329285984491650
|
|
0.3734804279309218 -1.326038490846592
|
|
0.3775846084576353 -1.322590975345992
|
|
0.3816887889843487 -1.318941575110698
|
|
0.3857929695110621 -1.315088539843132
|
|
0.3898971500377756 -1.311030232332845
|
|
0.3940013305644890 -1.306765128767761
|
|
0.3981055110912024 -1.302291818918444
|
|
0.4022096916179159 -1.297609006330374
|
|
0.4063138721446293 -1.292715508269168
|
|
0.4104180526713427 -1.287610255569103
|
|
0.4145222331980561 -1.282292292512611
|
|
0.4186264137247696 -1.276760776563995
|
|
0.4227305942514830 -1.271014977974185
|
|
0.4268347747781964 -1.265054279514084
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1.731964182273066 0.2385153615245962
|
|
1.736068362799780 0.2310175112011878
|
|
1.740172543326493 0.2235753480138985
|
|
1.744276723853206 0.2161935733806098
|
|
1.748380904379920 0.2088768796944193
|
|
1.752485084906633 0.2016299433842022
|
|
1.756589265433347 0.1944574181808715
|
|
1.760693445960060 0.1873639274317447
|
|
1.764797626486774 0.1803540570101456
|
|
1.768901807013487 0.1734323477094896
|
|
1.773005987540200 0.1666032875514843
|
|
1.777110168066914 0.1598713039120651
|
|
1.781214348593627 0.1532407557165938
|
|
1.785318529120341 0.1467159250694156
|
|
1.789422709647054 0.1403010092075318
|
|
1.793526890173768 0.1340001121229085
|
|
1.797631070700481 0.1278172355562192
|
|
1.801735251227194 0.1217562728721478
|
|
1.805839431753908 0.1158209967350948
|
|
1.809943612280621 0.1100150527618963
|
|
1.814047792807335 0.1043419502217889
|
|
1.818151973334048 0.9880505322074530E-01
|
|
1.822256153860762 0.9340757359844500E-01
|
|
1.826360334387475 0.8815255423062617E-01
|
|
1.830464514914188 0.8304287254058283E-01
|
|
1.834568695440902 0.7808122325688348E-01
|
|
1.838672875967615 0.7327011134294860E-01
|
|
1.842777056494329 0.6861183423419286E-01
|
|
1.846881237021042 0.6410850948260380E-01
|
|
1.850985417547756 0.5976200973127497E-01
|
|
1.855089598074469 0.5557398907348082E-01
|
|
1.859193778601183 0.5154586602991782E-01
|
|
1.863297959127896 0.4767881474709395E-01
|
|
1.867402139654609 0.4397378154279396E-01
|
|
1.871506320181323 0.4043136706221749E-01
|
|
1.875610500708036 0.3705198863295996E-01
|
|
1.879714681234750 0.3383576020767523E-01
|
|
1.883818861761463 0.3078250966027882E-01
|
|
1.887923042288177 0.2789176966104574E-01
|
|
1.892027222814890 0.2516271176447515E-01
|
|
1.896131403341603 0.2259438716709128E-01
|
|
1.900235583868317 0.2018531748112227E-01
|
|
1.904339764395030 0.1793375235485886E-01
|
|
1.908443944921744 0.1583759734521446E-01
|
|
1.912548125448457 0.1389493826065311E-01
|
|
1.916652305975170 0.1210181647209850E-01
|
|
1.920756486501884 0.1045555740322609E-01
|
|
1.924860667028597 0.8952666589127301E-02
|
|
1.928964847555311 0.7589294365804744E-02
|
|
1.933069028082024 0.6361219194733858E-02
|
|
1.937173208608738 0.5263411867472351E-02
|
|
1.941277389135451 0.4291761659375846E-02
|
|
1.945381569662164 0.3440399201086123E-02
|
|
1.949485750188878 0.2703365597116986E-02
|
|
1.953589930715591 0.2074209841353807E-02
|
|
1.957694111242305 0.1545984222687458E-02
|
|
1.961798291769018 0.1111123387424059E-02
|
|
1.965902472295731 0.7619975894513248E-03
|
|
1.970006652822445 0.4901308898003745E-03
|
|
1.974110833349158 0.2867742499688891E-03
|
|
1.978215013875872 0.1428561986934440E-03
|
|
1.982319194402585 0.4907748259152640E-04
|
|
1.986423374929299 -0.2320044927011682E-05
|
|
1.990527555456012 -0.2428106044524865E-04
|
|
1.994631735982725 -0.2445007091495331E-04
|
|
1.998735916509439 -0.1145989627902894E-04
|
|
2.002840097036152 0.6816506002079432E-05
|
|
2.006944277562866 0.2353607512990325E-04
|
|
2.011048458089579 0.2443596759995043E-04
|
|
2.015152638616293 0.2384747857698328E-04
|
|
2.019256819143006 0.1305509483272652E-04
|
|
2.023360999669720 -0.7356222105207326E-05
|
|
2.027465180196433 -0.3463039906909661E-04
|
|
2.031569360723146 -0.6363784007175349E-04
|
|
2.035673541249860 -0.3719930926363659E-04
|
|
2.039777721776573 -0.3980217667024844E-04
|
|
2.043881902303287 -0.2967288520287965E-04
|
|
2.047986082830000 0.000000000000000
|
|
1 0.5 2 3.2814108035354170 #kb l, j, n (sequence number), Reference energy
|
|
500 0.4104180526713427E-02 2.047986082830000 # npts, delta, cutoff
|
|
0.000000000000000 -2.759781586909356
|
|
0.4104180526713427E-02 -2.759990363056782
|
|
0.8208361053426854E-02 -2.760566233934089
|
|
0.1231254158014028E-01 -2.761523816041443
|
|
0.1641672210685371E-01 -2.762860810390950
|
|
0.2052090263356714E-01 -2.764574478932145
|
|
0.2462508316028056E-01 -2.766661649244665
|
|
0.2872926368699399E-01 -2.769118714343825
|
|
0.3283344421370742E-01 -2.771941635291761
|
|
0.3693762474042084E-01 -2.775125943925271
|
|
0.4104180526713427E-01 -2.778666745196770
|
|
0.4514598579384770E-01 -2.782558720535371
|
|
0.4925016632056112E-01 -2.786796130553952
|
|
0.5335434684727455E-01 -2.791372819168828
|
|
0.5745852737398797E-01 -2.796282217915816
|
|
0.6156270790070140E-01 -2.801517348942268
|
|
0.6566688842741483E-01 -2.807070830891688
|
|
0.6977106895412825E-01 -2.812934883788585
|
|
0.7387524948084169E-01 -2.819101333864100
|
|
0.7797943000755511E-01 -2.825561619673368
|
|
0.8208361053426855E-01 -2.832306798719822
|
|
0.8618779106098197E-01 -2.839327553491377
|
|
0.9029197158769539E-01 -2.846614198391974
|
|
0.9439615211440883E-01 -2.854156687862120
|
|
0.9850033264112225E-01 -2.861944623999387
|
|
0.1026045131678357 -2.869967263950252
|
|
0.1067086936945491 -2.878213530418864
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|
0.1108128742212625 -2.886672018723965
|
|
0.1149170547479759 -2.895331008545861
|
|
0.1190212352746894 -2.904178472123785
|
|
0.1231254158014028 -2.913202085344512
|
|
0.1272295963281162 -2.922389239260864
|
|
0.1313337768548297 -2.931727049425717
|
|
0.1354379573815431 -2.941202370176475
|
|
0.1395421379082565 -2.950801803292034
|
|
0.1436463184349699 -2.960511713253227
|
|
0.1477504989616834 -2.970318238766986
|
|
0.1518546794883968 -2.980207303976828
|
|
0.1559588600151102 -2.990164635160235
|
|
0.1600630405418237 -3.000175770567534
|
|
0.1641672210685371 -3.010226076943034
|
|
0.1682714015952505 -3.020300761303088
|
|
0.1723755821219639 -3.030384886250250
|
|
0.1764797626486774 -3.040463383965064
|
|
0.1805839431753908 -3.050521070435541
|
|
0.1846881237021042 -3.060542659693921
|
|
0.1887923042288177 -3.070512779222881
|
|
0.1928964847555311 -3.080415983026602
|
|
0.1970006652822445 -3.090236767954143
|
|
0.2011048458089579 -3.099959587331905
|
|
0.2052090263356713 -3.109568865465980
|
|
0.2093132068623848 -3.119049012990376
|
|
0.2134173873890982 -3.128384440590601
|
|
0.2175215679158116 -3.137559574198615
|
|
0.2216257484425251 -3.146558868331201
|
|
0.2257299289692385 -3.155366821552470
|
|
0.2298341094959519 -3.163967989271978
|
|
0.2339382900226653 -3.172346999002533
|
|
0.2380424705493788 -3.180488563147189
|
|
0.2421466510760922 -3.188377493121733
|
|
0.2462508316028056 -3.195998713166950
|
|
0.2503550121295191 -3.203337273055942
|
|
0.2544591926562325 -3.210378361141285
|
|
0.2585633731829459 -3.217107318528508
|
|
0.2626675537096593 -3.223509649907594
|
|
0.2667717342363727 -3.229571038001124
|
|
0.2708759147630862 -3.235277354584910
|
|
0.2749800952897996 -3.240614673260156
|
|
0.2790842758165130 -3.245569281053353
|
|
0.2831884563432265 -3.250127690194681
|
|
0.2872926368699399 -3.254276649287453
|
|
0.2913968173966533 -3.258003155167313
|
|
0.2955009979233668 -3.261294462914230
|
|
0.2996051784500802 -3.264138097094885
|
|
0.3037093589767936 -3.266521861430110
|
|
0.3078135395035070 -3.268433849868465
|
|
0.3119177200302204 -3.269862455190576
|
|
0.3160219005569339 -3.270796378865933
|
|
0.3201260810836473 -3.271224640211885
|
|
0.3242302616103607 -3.271136584718480
|
|
0.3283344421370742 -3.270521892366007
|
|
0.3324386226637876 -3.269370585540483
|
|
0.3365428031905010 -3.267673036429865
|
|
0.3406469837172145 -3.265419973768827
|
|
0.3447511642439279 -3.262602489620324
|
|
0.3488553447706413 -3.259212045485075
|
|
0.3529595252973547 -3.255240477573051
|
|
0.3570637058240682 -3.250680001953879
|
|
0.3611678863507816 -3.245523219318353
|
|
0.3652720668774950 -3.239763118945635
|
|
0.3693762474042084 -3.233393082208892
|
|
0.3734804279309218 -3.226406885618373
|
|
0.3775846084576353 -3.218798703588072
|
|
0.3816887889843487 -3.210563110390607
|
|
0.3857929695110621 -3.201695081734869
|
|
0.3898971500377756 -3.192189996027596
|
|
0.3940013305644890 -3.182043635007155
|
|
0.3981055110912024 -3.171252183963189
|
|
0.4022096916179159 -3.159812231926958
|
|
0.4063138721446293 -3.147720771088129
|
|
0.4104180526713427 -3.134975195879288
|
|
0.4145222331980561 -3.121573302152892
|
|
0.4186264137247696 -3.107513285892147
|
|
0.4227305942514830 -3.092793741512466
|
|
0.4268347747781964 -3.077413660574560
|
|
0.4309389553049098 -3.061372429713836
|
|
0.4350431358316232 -3.044669829065303
|
|
0.4391473163583367 -3.027306030510248
|
|
0.4432514968850501 -3.009281595560492
|
|
0.4473556774117635 -2.990597474061165
|
|
0.4514598579384770 -2.971255002476115
|
|
0.4555640384651904 -2.951255902454727
|
|
0.4596682189919038 -2.930602279862641
|
|
0.4637723995186173 -2.909296623776652
|
|
0.4678765800453307 -2.887341805908060
|
|
0.4719807605720441 -2.864741080395914
|
|
0.4760849410987575 -2.841498083950369
|
|
0.4801891216254709 -2.817616836236525
|
|
0.4842933021521844 -2.793101740748730
|
|
0.4883974826788978 -2.767957586261464
|
|
0.4925016632056112 -2.742189548463493
|
|
0.4966058437323247 -2.715803192034894
|
|
0.5007100242590381 -2.688804473084753
|
|
0.5048142047857516 -2.661199742168773
|
|
0.5089183853124649 -2.632995747517481
|
|
0.5130225658391784 -2.604199638380419
|
|
0.5171267463658918 -2.574818968927488
|
|
0.5212309268926052 -2.544861702260802
|
|
0.5253351074193187 -2.514336214489283
|
|
0.5294392879460321 -2.483251298915520
|
|
0.5335434684727455 -2.451616170210451
|
|
0.5376476489994589 -2.419440468401311
|
|
0.5417518295261724 -2.386734262826185
|
|
0.5458560100528858 -2.353508056079606
|
|
0.5499601905795992 -2.319772786771216
|
|
0.5540643711063127 -2.285539832134240
|
|
0.5581685516330260 -2.250821010431237
|
|
0.5622727321597395 -2.215628582380835
|
|
0.5663769126864530 -2.179975251329658
|
|
0.5704810932131663 -2.143874163283223
|
|
0.5745852737398798 -2.107338906805798
|
|
0.5786894542665932 -2.070383505991190
|
|
0.5827936347933066 -2.033022415059328
|
|
0.5868978153200201 -1.995270539230118
|
|
0.5910019958467335 -1.957143229105794
|
|
0.5951061763734469 -1.918656069739172
|
|
0.5992103569001603 -1.879825218187704
|
|
0.6033145374268738 -1.840667488850796
|
|
0.6074187179535872 -1.801199713094948
|
|
0.6115228984803006 -1.761439018784159
|
|
0.6156270790070141 -1.721402654299146
|
|
0.6197312595337274 -1.681107251272599
|
|
0.6238354400604409 -1.640574176870157
|
|
0.6279396205871544 -1.599827146786963
|
|
0.6320438011138677 -1.558876530266557
|
|
0.6361479816405812 -1.517728342114116
|
|
0.6402521621672946 -1.476403319814488
|
|
0.6443563426940080 -1.434936665237327
|
|
0.6484605232207215 -1.393386060403102
|
|
0.6525647037474349 -1.351818427359968
|
|
0.6566688842741484 -1.310264761953895
|
|
0.6607730648008617 -1.268746926406121
|
|
0.6648772453275752 -1.227276808607444
|
|
0.6689814258542887 -1.185866967532120
|
|
0.6730856063810020 -1.144534136867696
|
|
0.6771897869077155 -1.103300208608503
|
|
0.6812939674344289 -1.062180036781479
|
|
0.6853981479611423 -1.021185314405596
|
|
0.6895023284878558 -0.9803299634263108
|
|
0.6936065090145692 -0.9396278259409219
|
|
0.6977106895412826 -0.8990913851856769
|
|
0.7018148700679960 -0.8587325595551922
|
|
0.7059190505947095 -0.8185629850419188
|
|
0.7100232311214228 -0.7785938908747649
|
|
0.7141274116481363 -0.7388361403914669
|
|
0.7182315921748498 -0.6993002971126013
|
|
0.7223357727015631 -0.6599966535466434
|
|
0.7264399532282766 -0.6209352639411554
|
|
0.7305441337549901 -0.5821259749971505
|
|
0.7346483142817034 -0.5435784501751959
|
|
0.7387524948084169 -0.5053021899504225
|
|
0.7428566753351303 -0.4673065489890732
|
|
0.7469608558618437 -0.4296007497491958
|
|
0.7510650363885572 -0.3921938928550130
|
|
0.7551692169152706 -0.3550949647790560
|
|
0.7592733974419840 -0.3183128429212045
|
|
0.7633775779686974 -0.2818562984877822
|
|
0.7674817584954109 -0.2457339971065310
|
|
0.7715859390221242 -0.2099544979473629
|
|
0.7756901195488377 -0.1745262512530468
|
|
0.7797943000755512 -0.1394575947571367
|
|
0.7838984806022645 -0.1047567489085041
|
|
0.7880026611289780 -0.7043181115131077E-01
|
|
0.7921068416556915 -0.3649074962755067E-01
|
|
0.7962110221824048 -0.2941396426897744E-02
|
|
0.8003152027091183 0.3020855963831211E-01
|
|
0.8044193832358317 0.6295158048174865E-01
|
|
0.8085235637625451 0.9528028631344182E-01
|
|
0.8126277442892585 0.1271874632770268
|
|
0.8167319248159720 0.1586660710149488
|
|
0.8208361053426854 0.1897092501105749
|
|
0.8249402858693988 0.2203103293519802
|
|
0.8290444663961123 0.2504628326680278
|
|
0.8331486469228256 0.2801604858589258
|
|
0.8372528274495391 0.3093972229432910
|
|
0.8413570079762526 0.3381671921483609
|
|
0.8454611885029659 0.3664647615138333
|
|
0.8495653690296794 0.3942845240318066
|
|
0.8536695495563928 0.4216213024278464
|
|
0.8577737300831062 0.4484701534222466
|
|
0.8618779106098197 0.4748263716022308
|
|
0.8659820911365331 0.5006854928151443
|
|
0.8700862716632465 0.5260432971333308
|
|
0.8741904521899599 0.5508958113776220
|
|
0.8782946327166734 0.5752393111185308
|
|
0.8823988132433868 0.5990703223124948
|
|
0.8865029937701002 0.6223856224781366
|
|
0.8906071742968137 0.6451822414818070
|
|
0.8947113548235270 0.6674574618930297
|
|
0.8988155353502405 0.6892088189607984
|
|
0.9029197158769540 0.7104341001834591
|
|
0.9070238964036673 0.7311313445315477
|
|
0.9111280769303808 0.7512988413139975
|
|
0.9152322574570942 0.7709351286853140
|
|
0.9193364379838076 0.7900389918491656
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0.9234406185105211 0.8086094609565759
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0.9275447990372345 0.8266458086970914
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0.9316489795639480 0.8441475476323802
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0.9357531600906613 0.8611144272307144
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0.9439615211440883 0.8934437715209147
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0.9480657016708016 0.9088068899084778
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0.9685866043043688 0.9776399215393388
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0.9726907848310822 0.9898191383597570
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0.9767949653577956 1.001473217678399
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0.9808991458845091 1.012604261380292
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0.9850033264112225 1.023214558129557
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0.9891075069379359 1.033306578315416
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0.9932116874646494 1.042882969051100
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0.9973158679913627 1.051946548963512
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1.001420048518076 1.060500303104894
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1.005524229044790 1.068547377737218
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1.009628409571503 1.076091075187277
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1.013732590098216 1.083134848616499
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1.017836770624930 1.089682296814087
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1.021940951151643 1.095737159027974
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1.026045131678357 1.101303309770392
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1.030149312205070 1.106384753703827
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1.034253492731784 1.110985620471002
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1.038357673258497 1.115110159666040
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1.042461853785210 1.118762735795965
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1.046566034311924 1.121947823363619
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1.050670214838637 1.124670001966791
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1.054774395365351 1.126933951485507
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1.058878575892064 1.128744447362900
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1.062982756418778 1.130106355950223
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1.067086936945491 1.131024629965396
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1.071191117472204 1.131504304011595
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1.075295297998918 1.131550490227782
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1.079399478525631 1.131168374033143
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1.083503659052345 1.130363209979248
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1.087607839579058 1.129140317726861
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1.091712020105772 1.127505078131026
|
|
1.095816200632485 1.125462929437596
|
|
1.099920381159198 1.123019363634793
|
|
1.104024561685912 1.120179922892565
|
|
1.108128742212625 1.116950196167881
|
|
1.112232922739339 1.113335815886885
|
|
1.116337103266052 1.109342454806745
|
|
1.120441283792766 1.104975822995462
|
|
1.124545464319479 1.100241664926648
|
|
1.128649644846192 1.095145756767057
|
|
1.132753825372906 1.089693903735671
|
|
1.136858005899619 1.083891937648237
|
|
1.140962186426333 1.077745714547504
|
|
1.145066366953046 1.071261112514895
|
|
1.149170547479760 1.064444029601616
|
|
1.153274728006473 1.057300381884048
|
|
1.157378908533186 1.049836101691622
|
|
1.161483089059900 1.042057135926109
|
|
1.165587269586613 1.033969444542361
|
|
1.169691450113327 1.025578999135458
|
|
1.173795630640040 1.016891781677809
|
|
1.177899811166754 1.007913783375380
|
|
1.182003991693467 0.9986510036465073
|
|
1.186108172220181 0.9891094492345384
|
|
1.190212352746894 0.9792951334325549
|
|
1.194316533273607 0.9692140754144941
|
|
1.198420713800321 0.9588722997156270
|
|
1.202524894327034 0.9482758357898458
|
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1.206629074853748 0.9374307176855146
|
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1.210733255380461 0.9263429838486185
|
|
1.214837435907174 0.9150186769699601
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|
1.218941616433888 0.9034638439884678
|
|
1.223045796960601 0.8916845361653731
|
|
1.227149977487315 0.8796868092294593
|
|
1.231254158014028 0.8674767236641391
|
|
1.235358338540742 0.8550603450162522
|
|
1.239462519067455 0.8424437443004432
|
|
1.243566699594168 0.8296329984893978
|
|
1.247670880120882 0.8166341910505661
|
|
1.251775060647595 0.8034534125467016
|
|
1.255879241174309 0.7900967613229604
|
|
1.259983421701022 0.7765703441760777
|
|
1.264087602227735 0.7628802771380083
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1.268191782754449 0.7490326862772033
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|
1.272295963281162 0.7350337084978595
|
|
1.276400143807876 0.7208894924638121
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|
1.280504324334589 0.7066061994497005
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1.284608504861303 0.6921900042523591
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1.288712685388016 0.6776470961172173
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1.292816865914729 0.6629836796439932
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1.296921046441443 0.6482059757189809
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1.301025226968156 0.6333202224295185
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|
1.305129407494870 0.6183326759599314
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|
1.309233588021583 0.6032496114874245
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1.313337768548297 0.5880773240333312
|
|
1.317441949075010 0.5728221292945203
|
|
1.321546129601723 0.5574903644219110
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1.325650310128437 0.5420883887846195
|
|
1.329754490655150 0.5266225846520446
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1.333858671181864 0.5110993578357391
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1.337962851708577 0.4955251382527081
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1.342067032235291 0.4799063804452269
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1.346171212762004 0.4642495639960789
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1.350275393288717 0.4485611938758766
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1.354379573815431 0.4328478006871629
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|
1.358483754342144 0.4171159408369726
|
|
1.362587934868858 0.4013721965819086
|
|
1.366692115395571 0.3856231759823335
|
|
1.370796295922285 0.3698755127069335
|
|
1.374900476448998 0.3541358657864124
|
|
1.379004656975712 0.3384109191688879
|
|
1.383108837502425 0.3227073811784322
|
|
1.387213018029138 0.3070319838105460
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1.391317198555852 0.2913914819197674
|
|
1.395421379082565 0.2757926522197333
|
|
1.399525559609279 0.2602422921535406
|
|
1.403629740135992 0.2447472185483938
|
|
1.407733920662706 0.2293142662084349
|
|
1.411838101189419 0.2139502862346475
|
|
1.415942281716132 0.1986621442132264
|
|
1.420046462242846 0.1834567182200924
|
|
1.424150642769559 0.1683408966070827
|
|
1.428254823296273 0.1533215756703920
|
|
1.432359003822986 0.1384056570496414
|
|
1.436463184349700 0.1236000449776713
|
|
1.440567364876413 0.1089116432593641
|
|
1.444671545403126 0.9434735218136768E-01
|
|
1.448775725929840 0.7991406507986767E-01
|
|
1.452879906456553 0.6561866477453959E-01
|
|
1.456984086983267 0.5146801971858334E-01
|
|
1.461088267509980 0.3746898006113327E-01
|
|
1.465192448036693 0.2362837337543016E-01
|
|
1.469296628563407 0.9953000226567541E-02
|
|
1.473400809090120 -0.3550370471916323E-02
|
|
1.477504989616834 -0.1687500639206728E-01
|
|
1.481609170143547 -0.3001421677669576E-01
|
|
1.485713350670261 -0.4296135780453981E-01
|
|
1.489817531196974 -0.5570983807670875E-01
|
|
1.493921711723687 -0.6825312438534038E-01
|
|
1.498025892250401 -0.8058474757180223E-01
|
|
1.502130072777114 -0.9269830870286928E-01
|
|
1.506234253303828 -0.1045874853951572
|
|
1.510338433830541 -0.1162460383303986
|
|
1.514442614357254 -0.1276678180405306
|
|
1.518546794883968 -0.1388467717096194
|
|
1.522650975410681 -0.1497769503253693
|
|
1.526755155937395 -0.1604525159182718
|
|
1.530859336464108 -0.1708677489981344
|
|
1.534963516990822 -0.1810170561123318
|
|
1.539067697517535 -0.1908949775849344
|
|
1.543171878044248 -0.2004961953789622
|
|
1.547276058570962 -0.2098155410869853
|
|
1.551380239097675 -0.2188480040492596
|
|
1.555484419624389 -0.2275887395545252
|
|
1.559588600151102 -0.2360330771554302
|
|
1.563692780677816 -0.2441765290532679
|
|
1.567796961204529 -0.2520147985650676
|
|
1.571901141731243 -0.2595437885619500
|
|
1.576005322257956 -0.2667596101127396
|
|
1.580109502784669 -0.2736585909771640
|
|
1.584213683311383 -0.2802372841839059
|
|
1.588317863838096 -0.2864924766048879
|
|
1.592422044364810 -0.2924211973576157
|
|
1.596526224891523 -0.2980207264586986
|
|
1.600630405418237 -0.3032886030986620
|
|
1.604734585944950 -0.3082226339777626
|
|
1.608838766471663 -0.3128209015476324
|
|
1.612942946998377 -0.3170817718751318
|
|
1.617047127525090 -0.3210039028918699
|
|
1.621151308051804 -0.3245862519114767
|
|
1.625255488578517 -0.3278280832976542
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|
1.629359669105231 -0.3307289754831799
|
|
1.633463849631944 -0.3332888285034445
|
|
1.637568030158657 -0.3355078705373793
|
|
1.641672210685371 -0.3373866644889542
|
|
1.645776391212084 -0.3389261142918722
|
|
1.649880571738798 -0.3401274703679661
|
|
1.653984752265511 -0.3409923357420149
|
|
1.658088932792225 -0.3415226707866196
|
|
1.662193113318938 -0.3417207980024633
|
|
1.666297293845651 -0.3415894063916205
|
|
1.670401474372365 -0.3411315547801904
|
|
1.674505654899078 -0.3403506758278853
|
|
1.678609835425792 -0.3392505783958212
|
|
1.682714015952505 -0.3378354498909536
|
|
1.686818196479219 -0.3361098579536092
|
|
1.690922377005932 -0.3340787516624424
|
|
1.695026557532645 -0.3317474615438078
|
|
1.699130738059359 -0.3291217001970228
|
|
1.703234918586072 -0.3262075609713782
|
|
1.707339099112786 -0.3230115165939690
|
|
1.711443279639499 -0.3195404170756487
|
|
1.715547460166212 -0.3158014863178994
|
|
1.719651640692926 -0.3118023191786012
|
|
1.723755821219639 -0.3075508765420383
|
|
1.727860001746353 -0.3030554801944693
|
|
1.731964182273066 -0.2983248068570598
|
|
1.736068362799780 -0.2933678809597580
|
|
1.740172543326493 -0.2881940674603697
|
|
1.744276723853206 -0.2828130629096581
|
|
1.748380904379920 -0.2772348860612137
|
|
1.752485084906633 -0.2714698675151146
|
|
1.756589265433347 -0.2655286383947298
|
|
1.760693445960060 -0.2594221182097838
|
|
1.764797626486774 -0.2531615016715351
|
|
1.768901807013487 -0.2467582446082160
|
|
1.773005987540200 -0.2402240489087187
|
|
1.777110168066914 -0.2335708465462858
|
|
1.781214348593627 -0.2268107823326315
|
|
1.785318529120341 -0.2199561962881938
|
|
1.789422709647054 -0.2130196043927098
|
|
1.793526890173768 -0.2060136786328158
|
|
1.797631070700481 -0.1989512249083598
|
|
1.801735251227194 -0.1918451655496427
|
|
1.805839431753908 -0.1847085092570353
|
|
1.809943612280621 -0.1775543314630133
|
|
1.814047792807335 -0.1703957482154017
|
|
1.818151973334048 -0.1632458900609267
|
|
1.822256153860762 -0.1561178787192736
|
|
1.826360334387475 -0.1490247820268418
|
|
1.830464514914188 -0.1419796117117345
|
|
1.834568695440902 -0.1349952752210269
|
|
1.838672875967615 -0.1280845485941962
|
|
1.842777056494329 -0.1212600244423583
|
|
1.846881237021042 -0.1145341610208088
|
|
1.850985417547756 -0.1079191218486559
|
|
1.855089598074469 -0.1014268197897900
|
|
1.859193778601183 -0.9506886249664126E-01
|
|
1.863297959127896 -0.8885651525468680E-01
|
|
1.867402139654609 -0.8280072102965894E-01
|
|
1.871506320181323 -0.7691181023059641E-01
|
|
1.875610500708036 -0.7119985393713368E-01
|
|
1.879714681234750 -0.6567436629217567E-01
|
|
1.883818861761463 -0.6034432172148300E-01
|
|
1.887923042288177 -0.5521811020701990E-01
|
|
1.892027222814890 -0.5030335655229940E-01
|
|
1.896131403341603 -0.4560746670386598E-01
|
|
1.900235583868317 -0.4113662942266300E-01
|
|
1.904339764395030 -0.3689640027442517E-01
|
|
1.908443944921744 -0.3289150138872238E-01
|
|
1.912548125448457 -0.2912715126396322E-01
|
|
1.916652305975170 -0.2560327159109865E-01
|
|
1.920756486501884 -0.2232307877323403E-01
|
|
1.924860667028597 -0.1928760087450401E-01
|
|
1.928964847555311 -0.1649684753426510E-01
|
|
1.933069028082024 -0.1394973156514814E-01
|
|
1.937173208608738 -0.1164340250236318E-01
|
|
1.941277389135451 -0.9575583498526255E-02
|
|
1.945381569662164 -0.7740781538917104E-02
|
|
1.949485750188878 -0.6132543088791718E-02
|
|
1.953589930715591 -0.4742830842976499E-02
|
|
1.957694111242305 -0.3561959732238914E-02
|
|
1.961798291769018 -0.2577667375578540E-02
|
|
1.965902472295731 -0.1778852911941582E-02
|
|
1.970006652822445 -0.1149889640187269E-02
|
|
1.974110833349158 -0.6743617279617975E-03
|
|
1.978215013875872 -0.3343541880192234E-03
|
|
1.982319194402585 -0.1106609520860990E-03
|
|
1.986423374929299 0.1123452230731192E-04
|
|
1.990527555456012 0.6453509198022753E-04
|
|
1.994631735982725 0.6505901791218100E-04
|
|
1.998735916509439 0.3311929901658618E-04
|
|
2.002840097036152 -0.1234480042123565E-04
|
|
2.006944277562866 -0.5452069723855812E-04
|
|
2.011048458089579 -0.5294772574399213E-04
|
|
2.015152638616293 -0.5301258748873042E-04
|
|
2.019256819143006 -0.2877515299166392E-04
|
|
2.023360999669720 0.1869098658871912E-04
|
|
2.027465180196433 0.8305652651735497E-04
|
|
2.031569360723146 0.1521892293136038E-03
|
|
2.035673541249860 0.7385440842156321E-04
|
|
2.039777721776573 0.7942732073209970E-04
|
|
2.043881902303287 0.5955035893551045E-04
|
|
2.047986082830000 0.000000000000000
|
|
1 1.5 2 5.6258035962547295 #kb l, j, n (sequence number), Reference energy
|
|
500 0.4104180526713427E-02 2.047986082830000 # npts, delta, cutoff
|
|
0.000000000000000 -4.319846848400967
|
|
0.4104180526713427E-02 -4.320012948150064
|
|
0.8208361053426854E-02 -4.320461796961887
|
|
0.1231254158014028E-01 -4.321207673229806
|
|
0.1641672210685371E-01 -4.322248251193450
|
|
0.2052090263356714E-01 -4.323580743764136
|
|
0.2462508316028056E-01 -4.325201907573732
|
|
0.2872926368699399E-01 -4.327108042911928
|
|
0.3283344421370742E-01 -4.329294996668573
|
|
0.3693762474042084E-01 -4.331758165335319
|
|
0.4104180526713427E-01 -4.334492497759566
|
|
0.4514598579384770E-01 -4.337492498920532
|
|
0.4925016632056112E-01 -4.340752233012438
|
|
0.5335434684727455E-01 -4.344265328152427
|
|
0.5745852737398797E-01 -4.348024981216280
|
|
0.6156270790070140E-01 -4.352023961376700
|
|
0.6566688842741483E-01 -4.356254616651405
|
|
0.6977106895412825E-01 -4.360708879437541
|
|
0.7387524948084169E-01 -4.365378272060202
|
|
0.7797943000755511E-01 -4.370253913618995
|
|
0.8208361053426855E-01 -4.375326527401485
|
|
0.8618779106098197E-01 -4.380586447713618
|
|
0.9029197158769539E-01 -4.386023627719458
|
|
0.9439615211440883E-01 -4.391627648391127
|
|
0.9850033264112225E-01 -4.397387727072354
|
|
0.1026045131678357 -4.403292725836059
|
|
0.1067086936945491 -4.409331162952962
|
|
0.1108128742212625 -4.415491220920720
|
|
0.1149170547479759 -4.421760759382525
|
|
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1.415942281716132 0.2324729949374313
|
|
1.420046462242846 0.2184514588444455
|
|
1.424150642769559 0.2045013312816109
|
|
1.428254823296273 0.1906288365976641
|
|
1.432359003822986 0.1768402065953104
|
|
1.436463184349700 0.1631416785769533
|
|
1.440567364876413 0.1495394931310403
|
|
1.444671545403126 0.1360398918472877
|
|
1.448775725929840 0.1226491147049378
|
|
1.452879906456553 0.1093733973286079
|
|
1.456984086983267 0.9621896796800594E-01
|
|
1.461088267509980 0.8319204439145088E-01
|
|
1.465192448036693 0.7029883045274292E-01
|
|
1.469296628563407 0.5754551249983630E-01
|
|
1.473400809090120 0.4493825557543108E-01
|
|
1.477504989616834 0.3248319933092244E-01
|
|
1.481609170143547 0.2018645388757214E-01
|
|
1.485713350670261 0.8054095322100743E-02
|
|
1.489817531196974 -0.3907838969793155E-02
|
|
1.493921711723687 -0.1569335519581797E-01
|
|
1.498025892250401 -0.2729650817355318E-01
|
|
1.502130072777114 -0.3871140666399742E-01
|
|
1.506234253303828 -0.4993221885363424E-01
|
|
1.510338433830541 -0.6095317803152246E-01
|
|
1.514442614357254 -0.7176858854527510E-01
|
|
1.518546794883968 -0.8237283177225725E-01
|
|
1.522650975410681 -0.9276037245593867E-01
|
|
1.526755155937395 -0.1029257651323460
|
|
1.530859336464108 -0.1128636607762316
|
|
1.534963516990822 -0.1225688135560557
|
|
1.539067697517535 -0.1320360878047567
|
|
1.543171878044248 -0.1412604651168989
|
|
1.547276058570962 -0.1502370515879446
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|
1.551380239097675 -0.1589610852119242
|
|
1.555484419624389 -0.1674279433485108
|
|
1.559588600151102 -0.1756331503536038
|
|
1.563692780677816 -0.1835723852853097
|
|
1.567796961204529 -0.1912414897124352
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|
1.571901141731243 -0.1986364755385238
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|
1.576005322257956 -0.2057535330102840
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1.580109502784669 -0.2125890386468784
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1.584213683311383 -0.2191395632595081
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1.588317863838096 -0.2254018799956797
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1.592422044364810 -0.2313729722650379
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1.596526224891523 -0.2370500418973590
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1.600630405418237 -0.2424305170064646
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1.604734585944950 -0.2475120599242471
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1.608838766471663 -0.2522925750765003
|
|
1.612942946998377 -0.2567702165430619
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1.617047127525090 -0.2609433959874495
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1.621151308051804 -0.2648107899505543
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1.625255488578517 -0.2683713473038022
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1.629359669105231 -0.2716242961238916
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1.633463849631944 -0.2745691510793042
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1.637568030158657 -0.2772057199132159
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1.641672210685371 -0.2795341099925799
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1.645776391212084 -0.2815547346280466
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1.649880571738798 -0.2832683186108025
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|
1.653984752265511 -0.2846759044241927
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1.658088932792225 -0.2857788571648210
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1.662193113318938 -0.2865788695364244
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1.666297293845651 -0.2870779664914744
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1.670401474372365 -0.2872785088721172
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1.674505654899078 -0.2871831977965016
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1.678609835425792 -0.2867950774524103
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1.682714015952505 -0.2861175379244353
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1.686818196479219 -0.2851543174190931
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1.690922377005932 -0.2839095040672344
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1.695026557532645 -0.2823875365646768
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1.699130738059359 -0.2805932055336750
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1.703234918586072 -0.2785316529435833
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1.707339099112786 -0.2762083715641763
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1.711443279639499 -0.2736292037587953
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1.715547460166212 -0.2708003389893341
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1.719651640692926 -0.2677283119377147
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1.723755821219639 -0.2644199985890384
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1.727860001746353 -0.2608826122278127
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1.731964182273066 -0.2571236986542495
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1.736068362799780 -0.2531511301284265
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1.740172543326493 -0.2489730995671153
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1.744276723853206 -0.2445981128970231
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1.748380904379920 -0.2400349810825396
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1.752485084906633 -0.2352928112518787
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1.756589265433347 -0.2303809968150706
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1.760693445960060 -0.2253092070300428
|
|
1.764797626486774 -0.2200873753813855
|
|
1.768901807013487 -0.2147256872110478
|
|
1.773005987540200 -0.2092345664189227
|
|
1.777110168066914 -0.2036246612947600
|
|
1.781214348593627 -0.1979068291801662
|
|
1.785318529120341 -0.1920921207196820
|
|
1.789422709647054 -0.1861917626394468
|
|
1.793526890173768 -0.1802171398393329
|
|
1.797631070700481 -0.1741797755885704
|
|
1.801735251227194 -0.1680913154622836
|
|
1.805839431753908 -0.1619635006695939
|
|
1.809943612280621 -0.1558081499732287
|
|
1.814047792807335 -0.1496371360914993
|
|
1.818151973334048 -0.1434623619913669
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|
1.822256153860762 -0.1372957392566162
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1.826360334387475 -0.1311491489963615
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1.830464514914188 -0.1250344367283712
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1.834568695440902 -0.1189633705102900
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1.838672875967615 -0.1129476156913216
|
|
1.842777056494329 -0.1069986892644950
|
|
1.846881237021042 -0.1011279968146628
|
|
1.850985417547756 -0.9534669796607273E-01
|
|
1.855089598074469 -0.8966573900580313E-01
|
|
1.859193778601183 -0.8409580468090234E-01
|
|
1.863297959127896 -0.7864728411552260E-01
|
|
1.867402139654609 -0.7333028301848210E-01
|
|
1.871506320181323 -0.6815438401220084E-01
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|
1.875610500708036 -0.6312892893226368E-01
|
|
1.879714681234750 -0.5826277293563438E-01
|
|
1.883818861761463 -0.5356429393272186E-01
|
|
1.887923042288177 -0.4904135163942217E-01
|
|
1.892027222814890 -0.4470113564856935E-01
|
|
1.896131403341603 -0.4055060606083085E-01
|
|
1.900235583868317 -0.3659567485972517E-01
|
|
1.904339764395030 -0.3284167702659348E-01
|
|
1.908443944921744 -0.2929320226622589E-01
|
|
1.912548125448457 -0.2595526584565290E-01
|
|
1.916652305975170 -0.2282819737991687E-01
|
|
1.920756486501884 -0.1991521572562858E-01
|
|
1.924860667028597 -0.1721759107261955E-01
|
|
1.928964847555311 -0.1473567437921971E-01
|
|
1.933069028082024 -0.1246882584418483E-01
|
|
1.937173208608738 -0.1041484784187479E-01
|
|
1.941277389135451 -0.8571946484196799E-02
|
|
1.945381569662164 -0.6935534365057830E-02
|
|
1.949485750188878 -0.5500123840899773E-02
|
|
1.953589930715591 -0.4258796683917352E-02
|
|
1.957694111242305 -0.3203145404897670E-02
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1.961798291769018 -0.2322417178010122E-02
|
|
1.965902472295731 -0.1606953691751847E-02
|
|
1.970006652822445 -0.1042954061145037E-02
|
|
1.974110833349158 -0.6159105498394212E-03
|
|
1.978215013875872 -0.3099501961510760E-03
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|
1.982319194402585 -0.1080200234905962E-03
|
|
1.986423374929299 0.2715453838252959E-05
|
|
1.990527555456012 0.5198553090990465E-04
|
|
1.994631735982725 0.5384506022924483E-04
|
|
1.998735916509439 0.2643490542918502E-04
|
|
2.002840097036152 -0.1331334238920242E-04
|
|
2.006944277562866 -0.5035314027026072E-04
|
|
2.011048458089579 -0.4832995188434785E-04
|
|
2.015152638616293 -0.4810018076921648E-04
|
|
2.019256819143006 -0.2630896168022315E-04
|
|
2.023360999669720 0.1612774015839450E-04
|
|
2.027465180196433 0.7360201662047976E-04
|
|
2.031569360723146 0.1353233481801034E-03
|
|
2.035673541249860 0.6489785538017518E-04
|
|
2.039777721776573 0.6991925527225157E-04
|
|
2.043881902303287 0.5248101906211826E-04
|
|
2.047986082830000 0.000000000000000
|
|
2 1.5 1 -12.3893920629019458 #kb l, j, n (sequence number), Reference energy
|
|
500 0.4053195204068136E-02 2.022544406830000 # npts, delta, cutoff
|
|
0.000000000000000 -14.37841445474220
|
|
0.4053195204068136E-02 -14.37809417831417
|
|
0.8106390408136271E-02 -14.37708878537041
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0.1215958561220441E-01 -14.37541223324559
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|
0.1621278081627254E-01 -14.37306365036402
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0.2026597602034068E-01 -14.37004198906387
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0.2431917122440881E-01 -14.36634602976893
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0.2837236642847695E-01 -14.36197438624602
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0.3242556163254508E-01 -14.35692550720093
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0.3647875683661322E-01 -14.35119767881536
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0.4053195204068136E-01 -14.34478902641694
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0.4458514724474949E-01 -14.33769751824000
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0.4863834244881762E-01 -14.32992096717368
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|
0.5269153765288576E-01 -14.32145703543613
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|
0.5674473285695390E-01 -14.31230323697582
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|
0.6079792806102204E-01 -14.30245694161018
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|
0.6485112326509017E-01 -14.29191537891217
|
|
0.6890431846915830E-01 -14.28067564292167
|
|
0.7295751367322643E-01 -14.26873469666276
|
|
0.7701070887729458E-01 -14.25608937716046
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0.8106390408136271E-01 -14.24273640012280
|
|
0.8511709928543085E-01 -14.22867236620974
|
|
0.8917029448949898E-01 -14.21389376644215
|
|
0.9322348969356711E-01 -14.19839698816439
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|
0.9727668489763525E-01 -14.18217832195306
|
|
0.1013298801017034 -14.16523396739557
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|
0.1053830753057715 -14.14756004094097
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|
0.1094362705098397 -14.12915258234801
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|
0.1134894657139078 -14.11000756303789
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|
0.1175426609179759 -14.09012089205474
|
|
0.1215958561220441 -14.06948842544022
|
|
0.1256490513261122 -14.04810597565836
|
|
0.1297022465301803 -14.02596931623757
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|
0.1337554417342485 -14.00307419479350
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|
0.1378086369383166 -13.97941633742323
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|
0.1418618321423847 -13.95499146207767
|
|
0.1459150273464529 -13.92979528421841
|
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0.1499682225505210 -13.90382352820624
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0.1540214177545892 -13.87707193714315
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|
0.1580746129586573 -13.84953627991039
|
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0.1621278081627254 -13.82121236436602
|
|
0.1661810033667936 -13.79209604438563
|
|
0.1702341985708617 -13.76218323180933
|
|
0.1742873937749298 -13.73146990482662
|
|
0.1783405889789980 -13.69995212008748
|
|
0.1823937841830661 -13.66762601995213
|
|
0.1864469793871342 -13.63448784585033
|
|
0.1905001745912024 -13.60053394619232
|
|
0.1945533697952705 -13.56576078711148
|
|
0.1986065649993387 -13.53016496254853
|
|
0.2026597602034068 -13.49374320480969
|
|
0.2067129554074749 -13.45649239349650
|
|
0.2107661506115431 -13.41840956642703
|
|
0.2148193458156112 -13.37949192885113
|
|
0.2188725410196793 -13.33973686382016
|
|
0.2229257362237475 -13.29914194025404
|
|
0.2269789314278156 -13.25770492472430
|
|
0.2310321266318837 -13.21542378823279
|
|
0.2350853218359518 -13.17229671780921
|
|
0.2391385170400200 -13.12832212326528
|
|
0.2431917122440881 -13.08349864778157
|
|
0.2472449074481563 -13.03782517560886
|
|
0.2512981026522244 -12.99130084077984
|
|
0.2553512978562925 -12.94392503486839
|
|
0.2594044930603607 -12.89569741608227
|
|
0.2634576882644288 -12.84661791551915
|
|
0.2675108834684969 -12.79668674632694
|
|
0.2715640786725651 -12.74590440989625
|
|
0.2756172738766332 -12.69427170323538
|
|
0.2796704690807014 -12.64178972583934
|
|
0.2837236642847695 -12.58845988616391
|
|
0.2877768594888376 -12.53428390801091
|
|
0.2918300546929057 -12.47926383599191
|
|
0.2958832498969739 -12.42340204208626
|
|
0.2999364451010420 -12.36670123026438
|
|
0.3039896403051102 -12.30916444136338
|
|
0.3080428355091783 -12.25079505915860
|
|
0.3120960307132464 -12.19159681288250
|
|
0.3161492259173146 -12.13157378228331
|
|
0.3202024211213827 -12.07073040201321
|
|
0.3242556163254509 -12.00907146318032
|
|
0.3283088115295190 -11.94660211796119
|
|
0.3323620067335871 -11.88332788123601
|
|
0.3364152019376552 -11.81925463313507
|
|
0.3404683971417234 -11.75438862059148
|
|
0.3445215923457915 -11.68873645905348
|
|
0.3485747875498597 -11.62230513345260
|
|
0.3526279827539278 -11.55510199812228
|
|
0.3566811779579959 -11.48713477797116
|
|
0.3607343731620641 -11.41841156748423
|
|
0.3647875683661322 -11.34894083003535
|
|
0.3688407635702003 -11.27873139746263
|
|
0.3728939587742685 -11.20779246758876
|
|
0.3769471539783366 -11.13613360309925
|
|
0.3810003491824047 -11.06376472847910
|
|
0.3850535443864729 -10.99069612777123
|
|
0.3891067395905410 -10.91693844143622
|
|
0.3931599347946091 -10.84250266222799
|
|
0.3972131299986773 -10.76740013165501
|
|
0.4012663252027454 -10.69164253568470
|
|
0.4053195204068136 -10.61524190017150
|
|
0.4093727156108817 -10.53821058540755
|
|
0.4134259108149498 -10.46056128097923
|
|
0.4174791060190179 -10.38230700068749
|
|
0.4215323012230861 -10.30346107572586
|
|
0.4255854964271542 -10.22403714885260
|
|
0.4296386916312224 -10.14404916807067
|
|
0.4336918868352905 -10.06351137988617
|
|
0.4377450820393586 -9.982438322172229
|
|
0.4417982772434268 -9.900844817154722
|
|
0.4458514724474949 -9.818745964158161
|
|
0.4499046676515631 -9.736157132145120
|
|
0.4539578628556312 -9.653093952016119
|
|
0.4580110580596993 -9.569572309095953
|
|
0.4620642532637674 -9.485608335250387
|
|
0.4661174484678356 -9.401218400801543
|
|
0.4701706436719037 -9.316419106755475
|
|
0.4742238388759719 -9.231227276658528
|
|
0.4782770340800400 -9.145659948488825
|
|
0.4823302292841081 -9.059734366621312
|
|
0.4863834244881763 -8.973467973631564
|
|
0.4904366196922444 -8.886878402103461
|
|
0.4944898148963126 -8.799983466445450
|
|
0.4985430101003807 -8.712801154625877
|
|
0.5025962053044488 -8.625349619948036
|
|
0.5066494005085169 -8.537647172898156
|
|
0.5107025957125850 -8.449712272775523
|
|
0.5147557909166532 -8.361563519362301
|
|
0.5188089861207213 -8.273219644616685
|
|
0.5228621813247895 -8.184699504281358
|
|
0.5269153765288577 -8.096022069422427
|
|
0.5309685717329258 -8.007206417782594
|
|
0.5350217669369939 -7.918271725163862
|
|
0.5390749621410620 -7.829237256822253
|
|
0.5431281573451302 -7.740122358444308
|
|
0.5471813525491983 -7.650946447073668
|
|
0.5512345477532664 -7.561729001884423
|
|
0.5552877429573345 -7.472489554789695
|
|
0.5593409381614027 -7.383247680992845
|
|
0.5633941333654708 -7.294022988900471
|
|
0.5674473285695389 -7.204835109885201
|
|
0.5715005237736072 -7.115703688260383
|
|
0.5755537189776753 -7.026648370764298
|
|
0.5796069141817434 -6.937688794042923
|
|
0.5836601093858115 -6.848844572025468
|
|
0.5877133045898797 -6.760135304013947
|
|
0.5917664997939478 -6.671580530501500
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1.803671865810320 0.2924154406943527E-02
|
|
1.807725061014388 0.2757690951762223E-02
|
|
1.811778256218457 0.2596971108840555E-02
|
|
1.815831451422525 0.2441957429308029E-02
|
|
1.819884646626593 0.2292608372346386E-02
|
|
1.823937841830661 0.2148877886317822E-02
|
|
1.827991037034729 0.2010716133443067E-02
|
|
1.832044232238797 0.1878069084818767E-02
|
|
1.836097427442865 0.1750878650593347E-02
|
|
1.840150622646934 0.1629082708102463E-02
|
|
1.844203817851002 0.1512614733230717E-02
|
|
1.848257013055070 0.1401405536088086E-02
|
|
1.852310208259138 0.1295380610066016E-02
|
|
1.856363403463206 0.1194461902991313E-02
|
|
1.860416598667274 0.1098567438305357E-02
|
|
1.864469793871342 0.1007611350486252E-02
|
|
1.868522989075410 0.9215050482935618E-03
|
|
1.872576184279479 0.8401522864986659E-03
|
|
1.876629379483547 0.7634571487489283E-03
|
|
1.880682574687615 0.6913187849900177E-03
|
|
1.884735769891683 0.6236326995773849E-03
|
|
1.888788965095751 0.5602878039276657E-03
|
|
1.892842160299819 0.5011787270151557E-03
|
|
1.896895355503887 0.4461872854323900E-03
|
|
1.900948550707956 0.3951941149454678E-03
|
|
1.905001745912024 0.3480760384162792E-03
|
|
1.909054941116092 0.3047061089179488E-03
|
|
1.913108136320160 0.2649654996582137E-03
|
|
1.917161331524228 0.2286939003403344E-03
|
|
1.921214526728296 0.1957650784529030E-03
|
|
1.925267721932364 0.1660389384729302E-03
|
|
1.929320917136433 0.1393725679350299E-03
|
|
1.933374112340501 0.1156201292394823E-03
|
|
1.937427307544569 0.9462203185663901E-04
|
|
1.941480502748637 0.7624960045124762E-04
|
|
1.945533697952705 0.6033636389123872E-04
|
|
1.949586893156773 0.4672167047251097E-04
|
|
1.953640088360841 0.3524043422035756E-04
|
|
1.957693283564909 0.2572320258903920E-04
|
|
1.961746478768978 0.1801907192682555E-04
|
|
1.965799673973046 0.1190164701592354E-04
|
|
1.969852869177114 0.7211457152460156E-05
|
|
1.973906064381182 0.3767620612161364E-05
|
|
1.977959259585250 0.1389812612518633E-05
|
|
1.982012454789318 -0.1002504788308194E-06
|
|
1.986065649993386 -0.9385720207782089E-06
|
|
1.990118845197455 -0.1166334698394729E-05
|
|
1.994172040401523 -0.9930263061251084E-06
|
|
1.998225235605591 -0.5696527221169126E-06
|
|
2.002278430809659 -0.3922529153389316E-07
|
|
2.006331626013727 0.4642484150598364E-06
|
|
2.010384821217795 0.1063455309093421E-05
|
|
2.014438016421863 0.1171885665031811E-05
|
|
2.018491211625931 0.8297503662908023E-06
|
|
2.022544406830000 0.000000000000000
|
|
2 2.5 1 -12.3342835580224346 #kb l, j, n (sequence number), Reference energy
|
|
500 0.4053195204068136E-02 2.022544406830000 # npts, delta, cutoff
|
|
0.000000000000000 -14.32294961738010
|
|
0.4053195204068136E-02 -14.32263204683716
|
|
0.8106390408136271E-02 -14.32163486433148
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|
0.1215958561220441E-01 -14.31997199640877
|
|
0.1621278081627254E-01 -14.31764257139124
|
|
0.2026597602034068E-01 -14.31464554154176
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|
0.2431917122440881E-01 -14.31097968721323
|
|
0.2837236642847695E-01 -14.30664362208562
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|
0.3242556163254508E-01 -14.30163579475125
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|
0.3647875683661322E-01 -14.29595449124103
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0.4053195204068136E-01 -14.28959783667906
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|
0.4458514724474949E-01 -14.28256379902871
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|
0.4863834244881762E-01 -14.27485019082432
|
|
0.5269153765288576E-01 -14.26645467382513
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|
0.5674473285695390E-01 -14.25737476139809
|
|
0.6079792806102204E-01 -14.24760782263471
|
|
0.6485112326509017E-01 -14.23715108621493
|
|
0.6890431846915830E-01 -14.22600164509220
|
|
0.7295751367322643E-01 -14.21415646098683
|
|
0.7701070887729458E-01 -14.20161236937321
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|
0.8106390408136271E-01 -14.18836608413518
|
|
0.8511709928543085E-01 -14.17441420380311
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|
0.8917029448949898E-01 -14.15975321693196
|
|
0.9322348969356711E-01 -14.14437950803163
|
|
0.9727668489763525E-01 -14.12828936444067
|
|
0.1013298801017034 -14.11147898207154
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|
0.1053830753057715 -14.09394447322298
|
|
0.1094362705098397 -14.07568187299347
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|
0.1134894657139078 -14.05668714759284
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0.1175426609179759 -14.03695620026883
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|
0.1215958561220441 -14.01648488063759
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|
0.1256490513261122 -13.99526899406483
|
|
0.1297022465301803 -13.97330430627650
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|
0.1337554417342485 -13.95058655632786
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0.1378086369383166 -13.92711146096754
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0.1418618321423847 -13.90287472795451
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0.1459150273464529 -13.87787206168109
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|
0.1499682225505210 -13.85209917451268
|
|
0.1540214177545892 -13.82555179658458
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|
0.1580746129586573 -13.79822568280250
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|
0.1621278081627254 -13.77011662598641
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|
0.1661810033667936 -13.74122046387549
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|
0.1702341985708617 -13.71153309102348
|
|
0.1742873937749298 -13.68105046714556
|
|
0.1783405889789980 -13.64976862917811
|
|
0.1823937841830661 -13.61768369849384
|
|
0.1864469793871342 -13.58479189420773
|
|
0.1905001745912024 -13.55108954105165
|
|
0.1945533697952705 -13.51657308007219
|
|
0.1986065649993387 -13.48123907867351
|
|
0.2026597602034068 -13.44508424113223
|
|
0.2067129554074749 -13.40810541749003
|
|
0.2107661506115431 -13.37029961443201
|
|
0.2148193458156112 -13.33166400446544
|
|
0.2188725410196793 -13.29219593624885
|
|
0.2229257362237475 -13.25189294262754
|
|
0.2269789314278156 -13.21075275237441
|
|
0.2310321266318837 -13.16877329694090
|
|
0.2350853218359518 -13.12595272201552
|
|
0.2391385170400200 -13.08228939425176
|
|
0.2431917122440881 -13.03778191182095
|
|
0.2472449074481563 -12.99242911208635
|
|
0.2512981026522244 -12.94623008028813
|
|
0.2553512978562925 -12.89918415727774
|
|
0.2594044930603607 -12.85129094858512
|
|
0.2634576882644288 -12.80255033065579
|
|
0.2675108834684969 -12.75296245998809
|
|
0.2715640786725651 -12.70252777931027
|
|
0.2756172738766332 -12.65124702493884
|
|
0.2796704690807014 -12.59912123363312
|
|
0.2837236642847695 -12.54615174905869
|
|
0.2877768594888376 -12.49234022816259
|
|
0.2918300546929057 -12.43768864662836
|
|
0.2958832498969739 -12.38219930543203
|
|
0.2999364451010420 -12.32587483545994
|
|
0.3039896403051102 -12.26871820238664
|
|
0.3080428355091783 -12.21073271274535
|
|
0.3120960307132464 -12.15192201645390
|
|
0.3161492259173146 -12.09229011188038
|
|
0.3202024211213827 -12.03184135023888
|
|
0.3242556163254509 -11.97058043715503
|
|
0.3283088115295190 -11.90851243729311
|
|
0.3323620067335871 -11.84564277600779
|
|
0.3364152019376552 -11.78197724191025
|
|
0.3404683971417234 -11.71752198844404
|
|
0.3445215923457915 -11.65228353562166
|
|
0.3485747875498597 -11.58626877101940
|
|
0.3526279827539278 -11.51948494972734
|
|
0.3566811779579959 -11.45193969555470
|
|
0.3607343731620641 -11.38364100006537
|
|
0.3647875683661322 -11.31459722192959
|
|
0.3688407635702003 -11.24481708653811
|
|
0.3728939587742685 -11.17430968356500
|
|
0.3769471539783366 -11.10308446589326
|
|
0.3810003491824047 -11.03115124659630
|
|
0.3850535443864729 -10.95852019674748
|
|
0.3891067395905410 -10.88520184233286
|
|
0.3931599347946091 -10.81120706018038
|
|
0.3972131299986773 -10.73654707447805
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|
0.4012663252027454 -10.66123345253855
|
|
0.4053195204068136 -10.58527810028747
|
|
0.4093727156108817 -10.50869325687797
|
|
0.4134259108149498 -10.43149148961311
|
|
0.4174791060190179 -10.35368568893339
|
|
0.4215323012230861 -10.27528906166457
|
|
0.4255854964271542 -10.19631512526193
|
|
0.4296386916312224 -10.11677770156305
|
|
0.4336918868352905 -10.03669091012136
|
|
0.4377450820393586 -9.956069161148019
|
|
0.4417982772434268 -9.874927148575656
|
|
0.4458514724474949 -9.793279842884955
|
|
0.4499046676515631 -9.711142483726301
|
|
0.4539578628556312 -9.628530572303125
|
|
0.4580110580596993 -9.545459863943472
|
|
0.4620642532637674 -9.461946360303049
|
|
0.4661174484678356 -9.378006301368195
|
|
0.4701706436719037 -9.293656157772848
|
|
0.4742238388759719 -9.208912622745094
|
|
0.4782770340800400 -9.123792604090063
|
|
0.4823302292841081 -9.038313216247520
|
|
0.4863834244881763 -8.952491772189012
|
|
0.4904366196922444 -8.866345775319735
|
|
0.4944898148963126 -8.779892911389741
|
|
0.4985430101003807 -8.693151040325253
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|
0.5025962053044488 -8.606138188100140
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|
0.5066494005085169 -8.518872538680508
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|
0.5107025957125850 -8.431372425752102
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0.5147557909166532 -8.343656324487590
|
|
0.5188089861207213 -8.255742843337165
|
|
0.5228621813247895 -8.167650715734778
|
|
0.5269153765288577 -8.079398791734608
|
|
0.5309685717329258 -7.991006029461281
|
|
0.5350217669369939 -7.902491486589322
|
|
0.5390749621410620 -7.813874311833917
|
|
0.5431281573451302 -7.725173736023258
|
|
0.5471813525491983 -7.636409063119767
|
|
0.5512345477532664 -7.547599661086362
|
|
0.5552877429573345 -7.458764952587339
|
|
0.5593409381614027 -7.369924405630832
|
|
0.5633941333654708 -7.281097523570558
|
|
0.5674473285695389 -7.192303834955752
|
|
0.5715005237736072 -7.103562883591566
|
|
0.5755537189776753 -7.014894218106654
|
|
0.5796069141817434 -6.926317379513725
|
|
0.5836601093858115 -6.837851888660397
|
|
0.5877133045898797 -6.749517254432284
|
|
0.5917664997939478 -6.661332929580666
|
|
0.5958196949980159 -6.573318273825832
|
|
0.5998728902020840 -6.485492643036546
|
|
0.6039260854061522 -6.397875380629584
|
|
0.6079792806102203 -6.310485614832234
|
|
0.6120324758142884 -6.223342345768408
|
|
0.6160856710183567 -6.136464380579473
|
|
0.6201388662224248 -6.049870226773115
|
|
0.6241920614264929 -5.963579579639552
|
|
0.6282452566305610 -5.877612259058623
|
|
0.6322984518346292 -5.791983848849522
|
|
0.6363516470386973 -5.706708727488176
|
|
0.6404048422427654 -5.621805522005912
|
|
0.6444580374468335 -5.537296058854468
|
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0.6485112326509017 -5.453211407092756
|
|
0.6525644278549698 -5.369580001312197
|
|
0.6566176230590379 -5.286422440245287
|
|
0.6606708182631061 -5.203755567760012
|
|
0.6647240134671742 -5.121593535655685
|
|
0.6687772086712424 -5.039949614324525
|
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0.6728304038753105 -4.958838398254472
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0.6768835990793787 -4.878275721240427
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0.6809367942834468 -4.798275083954598
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0.6849899894875149 -4.718848670214276
|
|
0.6890431846915830 -4.640009010955241
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0.6930963798956512 -4.561768338133151
|
|
0.6971495750997193 -4.484138185654243
|
|
0.7012027703037874 -4.407129610563995
|
|
0.7052559655078556 -4.330753278618049
|
|
0.7093091607119237 -4.255019429292571
|
|
0.7133623559159918 -4.179937885874247
|
|
0.7174155511200599 -4.105518073341131
|
|
0.7214687463241282 -4.031769026125457
|
|
0.7255219415281963 -3.958699396808791
|
|
0.7295751367322644 -3.886317464390376
|
|
0.7336283319363325 -3.814631140935028
|
|
0.7376815271404007 -3.743647977508476
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0.7417347223444688 -3.673375168971834
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|
0.7457879175485369 -3.603819558298658
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0.7498411127526051 -3.534987640043483
|
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0.7538943079566732 -3.466885563305321
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0.7579475031607413 -3.399519134186442
|
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0.7620006983648094 -3.332893817836920
|
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0.7741602839770139 -3.137514117061904
|
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0.7782134791810820 -3.073901139651772
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0.7822666743851502 -3.011051539374164
|
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0.7863198695892183 -2.948968765448427
|
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0.7903730647932864 -2.887655935282437
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0.7944262599973546 -2.827115835529777
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0.7984794552014227 -2.767350923544137
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0.8025326504054908 -2.708363330674537
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0.8065858456095589 -2.650154859939436
|
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0.8106390408136271 -2.592726990935670
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0.8146922360176952 -2.536080878134111
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0.8187454312217634 -2.480217363402816
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0.8227986264258316 -2.425136982588557
|
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0.8268518216298997 -2.370839943581136
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0.8309050168339678 -2.317326140824412
|
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0.8349582120380359 -2.264595148605684
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0.8390114072421041 -2.212646249317450
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0.8430646024461722 -2.161478433645957
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0.8471177976502403 -2.111090390972088
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0.8511709928543084 -2.061480520342016
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0.8552241880583766 -2.012646930555326
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0.8592773832624447 -1.964587450728732
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0.8633305784665128 -1.917299632762500
|
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0.8673837736705811 -1.870780756493357
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0.8714369688746492 -1.825027835490640
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0.8754901640787173 -1.780037622655722
|
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0.8795433592827854 -1.735806616092439
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0.8835965544868536 -1.692331065106757
|
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0.8876497496909217 -1.649606976383042
|
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0.8917029448949898 -1.607630120290271
|
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0.8957561400990579 -1.566396037336385
|
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0.8998093353031261 -1.525900044733088
|
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0.9038625305071942 -1.486137243088162
|
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0.9079157257112623 -1.447102523183124
|
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0.9119689209153305 -1.408790572827927
|
|
0.9160221161193987 -1.371195883808689
|
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0.9200753113234668 -1.334312758877562
|
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0.9241285065275349 -1.298135318833057
|
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0.9281817017316031 -1.262657509603060
|
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0.9322348969356712 -1.227873109385699
|
|
0.9362880921397393 -1.193775735772131
|
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0.9403412873438074 -1.160358852916864
|
|
0.9443944825478756 -1.127615778679349
|
|
0.9484476777519437 -1.095539691794723
|
|
0.9525008729560118 -1.064123638985458
|
|
0.9565540681600800 -1.033360542071383
|
|
0.9606072633641481 -1.003243205011551
|
|
0.9646604585682163 -0.9737643209325865
|
|
0.9687136537722844 -0.9449164790813784
|
|
0.9727668489763526 -0.9166921717445826
|
|
0.9768200441804207 -0.8890838010712691
|
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0.9808732393844888 -0.8620836858419660
|
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0.9849264345885569 -0.8356840681293188
|
|
0.9889796297926251 -0.8098771198993807
|
|
0.9930328249966932 -0.7846549494989193
|
|
0.9970860202007613 -0.7600096080681328
|
|
1.001139215404830 -0.7359330958239627
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1.167320218771623 -0.1394223729242648
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1.175426609179759 -0.1250221486256790
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1.179479804383827 -0.1181830093966498
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1.183532999587896 -0.1115765861934235
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1.187586194791964 -0.1051970480872586
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1.191639389996032 -0.9903865934125751E-01
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1.195692585200100 -0.9309577963078244E-01
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1.199745780404168 -0.8736286417247732E-01
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1.211905366016373 -0.7136988921171135E-01
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1.215958561220441 -0.6642329405194972E-01
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1.220011756424509 -0.6166037157803644E-01
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1.224064951628577 -0.5707614875808804E-01
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1.228118146832645 -0.5266574693762072E-01
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1.252437318057054 -0.2959214290483230E-01
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1.260543708465190 -0.2308539965923865E-01
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1.264596903669258 -0.2003516151981474E-01
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1.268650098873326 -0.1711502649899438E-01
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1.272703294077395 -0.1432111396174340E-01
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1.280809684485531 -0.9096862292976753E-02
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1.284862879689599 -0.6659187467632440E-02
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1.288916074893667 -0.4333061719809881E-02
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1.292969270097735 -0.2115023943514954E-02
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1.297022465301803 -0.1693826056422141E-05
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1.301075660505872 0.2010229242950946E-02
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1.305128855709940 0.3923967285091018E-02
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1.313235246118076 0.7469390189692189E-02
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1.317288441322144 0.9107136360044935E-02
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1.321341636526212 0.1065882244262361E-01
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1.325394831730280 0.1212729470136564E-01
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1.329448026934348 0.1351532777377027E-01
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1.333501222138417 0.1482562586689820E-01
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1.337554417342485 0.1606082396284531E-01
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1.341607612546553 0.1722348901955803E-01
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1.345660807750621 0.1831612118440375E-01
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1.349714002954689 0.1934115500542366E-01
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1.353767198158757 0.2030096064305692E-01
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1.361873588566894 0.2203405335036066E-01
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1.365926783770962 0.2281176970808466E-01
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1.369979978975030 0.2353311887413367E-01
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1.374033174179098 0.2420016721033758E-01
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1.378086369383166 0.2481492392117907E-01
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1.382139564587234 0.2537934224044028E-01
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1.386192759791302 0.2589532061179481E-01
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1.390245954995371 0.2636470386043633E-01
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1.394299150199439 0.2678928435663669E-01
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1.398352345403507 0.2717080316933257E-01
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1.402405540607575 0.2751095120870081E-01
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1.406458735811643 0.2781137036232564E-01
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1.410511931015711 0.2807365460979116E-01
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1.414565126219779 0.2829935113571469E-01
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1.418618321423847 0.2848996142471875E-01
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1.422671516627916 0.2864694234633241E-01
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1.426724711831984 0.2877170722206138E-01
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1.430777907036052 0.2886562688285242E-01
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1.434831102240120 0.2893003070929639E-01
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1.438884297444188 0.2896620766225853E-01
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1.442937492648256 0.2897540728880529E-01
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1.446990687852324 0.2895884072215404E-01
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1.451043883056393 0.2891768166184610E-01
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1.455097078260461 0.2885306733838212E-01
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1.459150273464529 0.2876609946450702E-01
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1.463203468668597 0.2865784516450897E-01
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1.467256663872665 0.2852933789301940E-01
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1.471309859076733 0.2838157833354009E-01
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1.475363054280801 0.2821553528574034E-01
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1.479416249484869 0.2803214652597120E-01
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1.483469444688938 0.2783231966066959E-01
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1.487522639893006 0.2761693295844775E-01
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1.491575835097074 0.2738683616560829E-01
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1.495629030301142 0.2714285130718425E-01
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1.499682225505210 0.2688577346575095E-01
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1.503735420709278 0.2661637154862612E-01
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1.507788615913346 0.2633538903478193E-01
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1.511841811117415 0.2604354470961017E-01
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1.515895006321483 0.2574153337428031E-01
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1.519948201525551 0.2543002654650437E-01
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1.524001396729619 0.2510967314095948E-01
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1.528054591933687 0.2478110013321968E-01
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1.532107787137755 0.2444491321021574E-01
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1.536160982341823 0.2410169739812972E-01
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1.540214177545892 0.2375201768016663E-01
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1.544267372749960 0.2339641959539124E-01
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1.548320567954028 0.2303542982164100E-01
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1.552373763158096 0.2266955674538250E-01
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1.556426958362164 0.2229929101016836E-01
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1.560480153566232 0.2192510605546345E-01
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1.564533348770300 0.2154745863742450E-01
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1.568586543974368 0.2116678933450054E-01
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1.572639739178437 0.2078352304159303E-01
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1.576692934382505 0.2039806944213683E-01
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1.580746129586573 0.2001082347330308E-01
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1.584799324790641 0.1962216577326143E-01
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1.588852519994709 0.1923246311475502E-01
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1.592905715198777 0.1884206882690133E-01
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1.596958910402845 0.1845132319900947E-01
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1.601012105606914 0.1806055387563881E-01
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1.605065300810982 0.1767007623556460E-01
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1.609118496015050 0.1728019376216340E-01
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1.613171691219118 0.1689119839346789E-01
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1.617224886423186 0.1650337086726977E-01
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1.621278081627254 0.1611698105074487E-01
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1.625331276831322 0.1573228825829154E-01
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1.629384472035390 0.1534954156064157E-01
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1.633437667239459 0.1496898007689498E-01
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1.637490862443527 0.1459083326101909E-01
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1.641544057647595 0.1421532117501371E-01
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1.645597252851663 0.1384265475125122E-01
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1.649650448055731 0.1347303604840045E-01
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1.653703643259799 0.1310665848960820E-01
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1.657756838463867 0.1274370709835443E-01
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1.661810033667936 0.1238435872144016E-01
|
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1.665863228872004 0.1202878224337756E-01
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1.669916424076072 0.1167713879130923E-01
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1.673969619280140 0.1132958193414755E-01
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1.678022814484208 0.1098625786706196E-01
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1.682076009688276 0.1064730559421869E-01
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1.686129204892344 0.1031285710046526E-01
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1.690182400096413 0.9983037515406447E-02
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1.694235595300481 0.9657965273180318E-02
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1.698288790504549 0.9337752258564145E-02
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1.702341985708617 0.9022503952819524E-02
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1.706395180912685 0.8712319569673299E-02
|
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1.710448376116753 0.8407292185097863E-02
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1.714501571320821 0.8107508863147974E-02
|
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1.718554766524889 0.7813050771282776E-02
|
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1.722607961728958 0.7523993294579463E-02
|
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1.726661156933026 0.7240406142296169E-02
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1.730714352137094 0.6962353449333781E-02
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1.734767547341162 0.6689893874145581E-02
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1.738820742545230 0.6423080688891991E-02
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1.742873937749298 0.6161961867904862E-02
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1.746927132953366 0.5906580170426377E-02
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1.750980328157435 0.5656973219432321E-02
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1.755033523361503 0.5413173575964771E-02
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1.759086718565571 0.5175208812553550E-02
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1.763139913769639 0.4943101577013919E-02
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1.767193108973707 0.4716869659029670E-02
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1.771246304177775 0.4496526050508796E-02
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1.775299499381843 0.4282079007031482E-02
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1.779352694585911 0.4073532087849159E-02
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1.783405889789980 0.3870884231377700E-02
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1.787459084994048 0.3674129790344655E-02
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1.791512280198116 0.3483258582580607E-02
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1.795565475402184 0.3298255936194980E-02
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1.799618670606252 0.3119102712347280E-02
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1.803671865810320 0.2945775436368446E-02
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1.807725061014388 0.2778246193448553E-02
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1.811778256218457 0.2616482761940600E-02
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1.815831451422525 0.2460448627532836E-02
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1.819884646626593 0.2310103127820218E-02
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1.823937841830661 0.2165401027097381E-02
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1.827991037034729 0.2026293250181755E-02
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1.832044232238797 0.1892726471286022E-02
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1.836097427442865 0.1764643245292367E-02
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1.840150622646934 0.1641982035603925E-02
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1.844203817851002 0.1524676839779217E-02
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1.848257013055070 0.1412658948338235E-02
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1.852310208259138 0.1305854256785099E-02
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1.856363403463206 0.1204185060371114E-02
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1.860416598667274 0.1107569669393167E-02
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1.864469793871342 0.1015922444411292E-02
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1.868522989075410 0.9291549748438200E-03
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1.872576184279479 0.8471710819979110E-03
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1.876629379483547 0.7698749113624067E-03
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1.880682574687615 0.6971655967058228E-03
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1.884735769891683 0.6289385652370924E-03
|
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1.888788965095751 0.5650825485415017E-03
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1.892842160299819 0.5054920635340678E-03
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1.896895355503887 0.4500486241024585E-03
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1.900948550707956 0.3986325336688031E-03
|
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1.905001745912024 0.3511202157626863E-03
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1.909054941116092 0.3073842569847011E-03
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1.913108136320160 0.2673054384280934E-03
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1.917161331524228 0.2307225385273215E-03
|
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1.921214526728296 0.1975087969986428E-03
|
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1.925267721932364 0.1675234004638398E-03
|
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1.929320917136433 0.1406226600386614E-03
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1.933374112340501 0.1166599013286949E-03
|
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1.937427307544569 0.9547451122849611E-04
|
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1.941480502748637 0.7693712018049437E-04
|
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1.945533697952705 0.6088009853338534E-04
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1.949586893156773 0.4714167361103255E-04
|
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1.953640088360841 0.3555555691393871E-04
|
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1.957693283564909 0.2595101156693971E-04
|
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1.961746478768978 0.1817602226055824E-04
|
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1.965799673973046 0.1200220501299555E-04
|
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1.969852869177114 0.7268810199921170E-05
|
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1.973906064381182 0.3793400754352139E-05
|
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1.977959259585250 0.1394063829762968E-05
|
|
1.982012454789318 -0.1090897619297094E-06
|
|
1.986065649993386 -0.9543356249097896E-06
|
|
1.990118845197455 -0.1183056524731645E-05
|
|
1.994172040401523 -0.1006808473933148E-05
|
|
1.998225235605591 -0.5780742417438394E-06
|
|
2.002278430809659 -0.4129933023462012E-07
|
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2.006331626013727 0.4681273441466628E-06
|
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2.010384821217795 0.1074037244391680E-05
|
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2.014438016421863 0.1183947081740620E-05
|
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2.018491211625931 0.8383146274146327E-06
|
|
2.022544406830000 0.000000000000000
|
|
3 2.5 1 -1.6070032673456685 #kb l, j, n (sequence number), Reference energy
|
|
500 0.4104180526713427E-02 2.047986082830000 # npts, delta, cutoff
|
|
0.000000000000000 -2.271610124935534
|
|
0.4104180526713427E-02 -2.271886798018553
|
|
0.8208361053426854E-02 -2.272114297838387
|
|
0.1231254158014028E-01 -2.272492693519556
|
|
0.1641672210685371E-01 -2.273021306449811
|
|
0.2052090263356714E-01 -2.273699363800452
|
|
0.2462508316028056E-01 -2.274526005732587
|
|
0.2872926368699399E-01 -2.275500285883426
|
|
0.3283344421370742E-01 -2.276621172001683
|
|
0.3693762474042084E-01 -2.277887546525219
|
|
0.4104180526713427E-01 -2.279298206626370
|
|
0.4514598579384770E-01 -2.280851864772277
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|
0.4925016632056112E-01 -2.282547148471322
|
|
0.5335434684727455E-01 -2.284382601212125
|
|
0.5745852737398797E-01 -2.286356682187798
|
|
0.6156270790070140E-01 -2.288467767001257
|
|
0.6566688842741483E-01 -2.290714147897703
|
|
0.6977106895412825E-01 -2.293094034462889
|
|
0.7387524948084169E-01 -2.295605553677109
|
|
0.7797943000755511E-01 -2.298246750947104
|
|
0.8208361053426855E-01 -2.301015590412592
|
|
0.8618779106098197E-01 -2.303909955827147
|
|
0.9029197158769539E-01 -2.306927651158097
|
|
0.9439615211440883E-01 -2.310066401646273
|
|
0.9850033264112225E-01 -2.313323854656846
|
|
0.1026045131678357 -2.316697580689072
|
|
0.1067086936945491 -2.320185074571636
|
|
0.1108128742212625 -2.323783756200645
|
|
0.1149170547479759 -2.327490972916074
|
|
0.1190212352746894 -2.331303999733982
|
|
0.1231254158014028 -2.335220041154805
|
|
0.1272295963281162 -2.339236233628748
|
|
0.1313337768548297 -2.343349645362806
|
|
0.1354379573815431 -2.347557280393942
|
|
0.1395421379082565 -2.351856078042052
|
|
0.1436463184349699 -2.356242916675862
|
|
0.1477504989616834 -2.360714615059997
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1.432359003822986 -0.1721376015005475
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1.436463184349700 -0.1668265132264701
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1.440567364876413 -0.1616149151686973
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1.444671545403126 -0.1565022815084302
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1.448775725929840 -0.1514880710133747
|
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1.452879906456553 -0.1465717270855590
|
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1.456984086983267 -0.1417526778200928
|
|
1.461088267509980 -0.1370303360393249
|
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1.465192448036693 -0.1324040993511764
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|
1.469296628563407 -0.1278733501976291
|
|
1.473400809090120 -0.1234374559084687
|
|
1.477504989616834 -0.1190957687451357
|
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1.481609170143547 -0.1148476259715602
|
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1.485713350670261 -0.1106923499019539
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1.489817531196974 -0.1066292479593622
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1.493921711723687 -0.1026576127574749
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1.498025892250401 -0.9877672214022502E-01
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|
1.502130072777114 -0.9498583926990774E-01
|
|
1.506234253303828 -0.9128421269965216E-01
|
|
1.510338433830541 -0.8767107645621704E-01
|
|
1.514442614357254 -0.8414565011952102E-01
|
|
1.518546794883968 -0.8070713892690877E-01
|
|
1.522650975410681 -0.7735473386476716E-01
|
|
1.526755155937395 -0.7408761177098627E-01
|
|
1.530859336464108 -0.7090493546885272E-01
|
|
1.534963516990822 -0.6780585385627309E-01
|
|
1.539067697517535 -0.6478950205280659E-01
|
|
1.543171878044248 -0.6185500153284988E-01
|
|
1.547276058570962 -0.5900146027239392E-01
|
|
1.551380239097675 -0.5622797290148125E-01
|
|
1.555484419624389 -0.5353362087384637E-01
|
|
1.559588600151102 -0.5091747263917003E-01
|
|
1.563692780677816 -0.4837858382907342E-01
|
|
1.567796961204529 -0.4591599744895258E-01
|
|
1.571901141731243 -0.4352874410307464E-01
|
|
1.576005322257956 -0.4121584218342692E-01
|
|
1.580109502784669 -0.3897629811768523E-01
|
|
1.584213683311383 -0.3680910660601017E-01
|
|
1.588317863838096 -0.3471325087537441E-01
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|
1.592422044364810 -0.3268770293791749E-01
|
|
1.596526224891523 -0.3073142387845563E-01
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|
1.600630405418237 -0.2884336413659687E-01
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|
1.604734585944950 -0.2702246380953276E-01
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1.608838766471663 -0.2526765296448183E-01
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1.612942946998377 -0.2357785196820885E-01
|
|
1.617047127525090 -0.2195197181788815E-01
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|
1.621151308051804 -0.2038891449514536E-01
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1.625255488578517 -0.1888757333148872E-01
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1.629359669105231 -0.1744683336085531E-01
|
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1.633463849631944 -0.1606557173550465E-01
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1.637568030158657 -0.1474265810369533E-01
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1.641672210685371 -0.1347695502111542E-01
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1.645776391212084 -0.1226731837542444E-01
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1.649880571738798 -0.1111259778853247E-01
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1.653984752265511 -0.1001163709522456E-01
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|
1.658088932792225 -0.8963274768186130E-02
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1.662193113318938 -0.7966344381721089E-02
|
|
1.666297293845651 -0.7019675087825744E-02
|
|
1.670401474372365 -0.6122092057818275E-02
|
|
1.674505654899078 -0.5272417019392479E-02
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|
1.678609835425792 -0.4469468718527412E-02
|
|
1.682714015952505 -0.3712063427305271E-02
|
|
1.686818196479219 -0.2999015452303310E-02
|
|
1.690922377005932 -0.2329137658902840E-02
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1.695026557532645 -0.1701241953819945E-02
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|
1.699130738059359 -0.1114139878399354E-02
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|
1.703234918586072 -0.5666431007942670E-03
|
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1.707339099112786 -0.5756396685330687E-04
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1.711443279639499 0.4142839463372370E-03
|
|
1.715547460166212 0.8500853098736149E-03
|
|
1.719651640692926 0.1251022435761244E-02
|
|
1.723755821219639 0.1618274746903504E-02
|
|
1.727860001746353 0.1953018201778449E-02
|
|
1.731964182273066 0.2256424720670378E-02
|
|
1.736068362799780 0.2529661611555221E-02
|
|
1.740172543326493 0.2773890980600986E-02
|
|
1.744276723853206 0.2990269147270372E-02
|
|
1.748380904379920 0.3179946048970666E-02
|
|
1.752485084906633 0.3344064632503295E-02
|
|
1.756589265433347 0.3483760282191034E-02
|
|
1.760693445960060 0.3600160154545609E-02
|
|
1.764797626486774 0.3694382590951427E-02
|
|
1.768901807013487 0.3767536483278951E-02
|
|
1.773005987540200 0.3820720639076948E-02
|
|
1.777110168066914 0.3855023236276739E-02
|
|
1.781214348593627 0.3871520738174516E-02
|
|
1.785318529120341 0.3871277922304144E-02
|
|
1.789422709647054 0.3855346751806737E-02
|
|
1.793526890173768 0.3824765796994696E-02
|
|
1.797631070700481 0.3780558978489796E-02
|
|
1.801735251227194 0.3723737231651870E-02
|
|
1.805839431753908 0.3655294133309467E-02
|
|
1.809943612280621 0.3576207482726325E-02
|
|
1.814047792807335 0.3487438026820634E-02
|
|
1.818151973334048 0.3389928707990629E-02
|
|
1.822256153860762 0.3284606548176036E-02
|
|
1.826360334387475 0.3172370150936053E-02
|
|
1.830464514914188 0.3054107631162828E-02
|
|
1.834568695440902 0.2930683354743232E-02
|
|
1.838672875967615 0.2802939985300679E-02
|
|
1.842777056494329 0.2671686035067446E-02
|
|
1.846881237021042 0.2537743392026673E-02
|
|
1.850985417547756 0.2401872375736135E-02
|
|
1.855089598074469 0.2264817498565982E-02
|
|
1.859193778601183 0.2127295860510980E-02
|
|
1.863297959127896 0.1989996350682095E-02
|
|
1.867402139654609 0.1853613133179046E-02
|
|
1.871506320181323 0.1718696925275138E-02
|
|
1.875610500708036 0.1585885937370056E-02
|
|
1.879714681234750 0.1455753982728905E-02
|
|
1.883818861761463 0.1328844644940901E-02
|
|
1.887923042288177 0.1205669540840718E-02
|
|
1.892027222814890 0.1086630367402373E-02
|
|
1.896131403341603 0.9723518752260359E-03
|
|
1.900235583868317 0.8631435541990564E-03
|
|
1.904339764395030 0.7593549917656291E-03
|
|
1.908443944921744 0.6612891586873857E-03
|
|
1.912548125448457 0.5693842729105322E-03
|
|
1.916652305975170 0.4834549274936299E-03
|
|
1.920756486501884 0.4038348805980215E-03
|
|
1.924860667028597 0.3306602068746484E-03
|
|
1.928964847555311 0.2640320368336358E-03
|
|
1.933069028082024 0.2040144732619771E-03
|
|
1.937173208608738 0.1504914705164139E-03
|
|
1.941277389135451 0.1037495332301542E-03
|
|
1.945381569662164 0.6358045245875580E-04
|
|
1.949485750188878 0.2984310703251291E-04
|
|
1.953589930715591 0.2327964603341976E-05
|
|
1.957694111242305 -0.1924639899837272E-04
|
|
1.961798291769018 -0.3522589825636350E-04
|
|
1.965902472295731 -0.4606088454589886E-04
|
|
1.970006652822445 -0.5224376518464027E-04
|
|
1.974110833349158 -0.5434357222158892E-04
|
|
1.978215013875872 -0.5299017552978686E-04
|
|
1.982319194402585 -0.4886457928863832E-04
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|
1.986423374929299 -0.4247357823288291E-04
|
|
1.990527555456012 -0.3501892128237409E-04
|
|
1.994631735982725 -0.2704903619756989E-04
|
|
1.998735916509439 -0.1927167729152117E-04
|
|
2.002840097036152 -0.1233135738952550E-04
|
|
2.006944277562866 -0.6777213531569704E-05
|
|
2.011048458089579 -0.4144596397339725E-05
|
|
2.015152638616293 -0.2357554945415025E-05
|
|
2.019256819143006 -0.2327022132052263E-05
|
|
2.023360999669720 -0.3821620207074625E-05
|
|
2.027465180196433 -0.6380613001506514E-05
|
|
2.031569360723146 -0.9290408764601666E-05
|
|
2.035673541249860 -0.5817844008742726E-05
|
|
2.039777721776573 -0.5697983891158348E-05
|
|
2.043881902303287 -0.4031408780192939E-05
|
|
2.047986082830000 0.000000000000000
|
|
3 3.5 1 -1.5883860015951574 #kb l, j, n (sequence number), Reference energy
|
|
500 0.4104180526713427E-02 2.047986082830000 # npts, delta, cutoff
|
|
0.000000000000000 -2.241554251822703
|
|
0.4104180526713427E-02 -2.241829094852815
|
|
0.8208361053426854E-02 -2.242058749843986
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0.1231254158014028E-01 -2.242440736319590
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|
0.1641672210685371E-01 -2.242974374161554
|
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0.2052090263356714E-01 -2.243658889222023
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0.2462508316028056E-01 -2.244493420448830
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|
0.2872926368699399E-01 -2.245477020358792
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|
0.3283344421370742E-01 -2.246608655664683
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0.3693762474042084E-01 -2.247887207848718
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0.4104180526713427E-01 -2.249311473205138
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0.4514598579384770E-01 -2.250880163396548
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0.4925016632056112E-01 -2.252591905198781
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|
0.5335434684727455E-01 -2.254445241436003
|
|
0.5745852737398797E-01 -2.256438630699714
|
|
0.6156270790070140E-01 -2.258570448054090
|
|
0.6566688842741483E-01 -2.260838985261555
|
|
0.6977106895412825E-01 -2.263242451479537
|
|
0.7387524948084169E-01 -2.265778973308399
|
|
0.7797943000755511E-01 -2.268446595820999
|
|
0.8208361053426855E-01 -2.271243282863503
|
|
0.8618779106098197E-01 -2.274166917934401
|
|
0.9029197158769539E-01 -2.277215304776913
|
|
0.9439615211440883E-01 -2.280386168436495
|
|
0.9850033264112225E-01 -2.283677156107142
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|
0.1026045131678357 -2.287085838136768
|
|
0.1067086936945491 -2.290609709217073
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0.1108128742212625 -2.294246189119114
|
|
0.1149170547479759 -2.297992625063237
|
|
0.1190212352746894 -2.301846291948936
|
|
0.1231254158014028 -2.305804394158678
|
|
0.1272295963281162 -2.309864068016366
|
|
0.1313337768548297 -2.314022381596587
|
|
0.1354379573815431 -2.318276338784584
|
|
0.1395421379082565 -2.322622878734929
|
|
0.1436463184349699 -2.327058879626177
|
|
0.1477504989616834 -2.331581160006190
|
|
0.1518546794883968 -2.336186480035460
|
|
0.1559588600151102 -2.340871545269040
|
|
0.1600630405418237 -2.345633007193049
|
|
0.1641672210685371 -2.350467466486254
|
|
0.1682714015952505 -2.355371474796395
|
|
0.1723755821219639 -2.360341537164440
|
|
0.1764797626486774 -2.365374114465757
|
|
0.1805839431753908 -2.370465625798888
|
|
0.1846881237021042 -2.375612450478073
|
|
0.1887923042288177 -2.380810931145956
|
|
0.1928964847555311 -2.386057375114637
|
|
0.1970006652822445 -2.391348057858631
|
|
0.2011048458089579 -2.396679224809231
|
|
0.2052090263356713 -2.402047093566234
|
|
0.2093132068623848 -2.407447856800567
|
|
0.2134173873890982 -2.412877684066005
|
|
0.2175215679158116 -2.418332724539392
|
|
0.2216257484425251 -2.423809108841295
|
|
0.2257299289692385 -2.429302951600257
|
|
0.2298341094959519 -2.434810353465126
|
|
0.2339382900226653 -2.440327403519671
|
|
0.2380424705493788 -2.445850181034750
|
|
0.2421466510760922 -2.451374757807322
|
|
0.2462508316028056 -2.456897200313365
|
|
0.2503550121295191 -2.462413571489373
|
|
0.2544591926562325 -2.467919932571398
|
|
0.2585633731829459 -2.473412345648149
|
|
0.2626675537096593 -2.478886874670357
|
|
0.2667717342363727 -2.484339588198654
|
|
0.2708759147630862 -2.489766560580450
|
|
0.2749800952897996 -2.495163874120180
|
|
0.2790842758165130 -2.500527620569279
|
|
0.2831884563432265 -2.505853903014136
|
|
0.2872926368699399 -2.511138837432947
|
|
0.2913968173966533 -2.516378554700896
|
|
0.2955009979233668 -2.521569201597638
|
|
0.2996051784500802 -2.526706942978476
|
|
0.3037093589767936 -2.531787962677291
|
|
0.3078135395035070 -2.536808465700894
|
|
0.3119177200302204 -2.541764679170109
|
|
0.3160219005569339 -2.546652853629852
|
|
0.3201260810836473 -2.551469264827626
|
|
0.3242302616103607 -2.556210214617102
|
|
0.3283344421370742 -2.560872032187145
|
|
0.3324386226637876 -2.565451075209617
|
|
0.3365428031905010 -2.569943731030763
|
|
0.3406469837172145 -2.574346417298255
|
|
0.3447511642439279 -2.578655583047090
|
|
0.3488553447706413 -2.582867709554691
|
|
0.3529595252973547 -2.586979310795628
|
|
0.3570637058240682 -2.590986934119553
|
|
0.3611678863507816 -2.594887160726818
|
|
0.3652720668774950 -2.598676606083986
|
|
0.3693762474042084 -2.602351920156158
|
|
0.3734804279309218 -2.605909787473717
|
|
0.3775846084576353 -2.609346927329214
|
|
0.3816887889843487 -2.612660093741559
|
|
0.3857929695110621 -2.615846075244028
|
|
0.3898971500377756 -2.618901694784433
|
|
0.3940013305644890 -2.621823809400856
|
|
0.3981055110912024 -2.624609309797567
|
|
0.4022096916179159 -2.627255120170864
|
|
0.4063138721446293 -2.629758197588769
|
|
0.4104180526713427 -2.632115531554010
|
|
0.4145222331980561 -2.634324143600691
|
|
0.4186264137247696 -2.636381086841314
|
|
0.4227305942514830 -2.638283445491832
|
|
0.4268347747781964 -2.640028334569085
|
|
0.4309389553049098 -2.641612899502664
|
|
0.4350431358316232 -2.643034316040370
|
|
0.4391473163583367 -2.644289790177713
|
|
0.4432514968850501 -2.645376558041670
|
|
0.4473556774117635 -2.646291886294536
|
|
0.4514598579384770 -2.647033072460261
|
|
0.4555640384651904 -2.647597445531722
|
|
0.4596682189919038 -2.647982366968072
|
|
0.4637723995186173 -2.648185231634123
|
|
0.4678765800453307 -2.648203469240721
|
|
0.4719807605720441 -2.648034546166705
|
|
0.4760849410987575 -2.647675967313676
|
|
0.4801891216254709 -2.647125278461861
|
|
0.4842933021521844 -2.646380068966542
|
|
0.4883974826788978 -2.645437974794874
|
|
0.4925016632056112 -2.644296681967049
|
|
0.4966058437323247 -2.642953930271367
|
|
0.5007100242590381 -2.641407517110268
|
|
0.5048142047857516 -2.639655302386672
|
|
0.5089183853124649 -2.637695213348410
|
|
0.5130225658391784 -2.635525249173754
|
|
0.5171267463658918 -2.633143486988977
|
|
0.5212309268926052 -2.630548087762415
|
|
0.5253351074193187 -2.627737301821526
|
|
0.5294392879460321 -2.624709475523742
|
|
0.5335434684727455 -2.621463057926167
|
|
0.5376476489994589 -2.617996607205673
|
|
0.5417518295261724 -2.614308797533206
|
|
0.5458560100528858 -2.610398426206118
|
|
0.5499601905795992 -2.606264420508063
|
|
0.5540643711063127 -2.601905844645470
|
|
0.5581685516330260 -2.597321906567334
|
|
0.5622727321597395 -2.592511964768290
|
|
0.5663769126864530 -2.587475534843118
|
|
0.5704810932131663 -2.582212295873885
|
|
0.5745852737398798 -2.576722097088699
|
|
0.5786894542665932 -2.571004961240209
|
|
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1.830464514914188 0.2951733881701884E-02
|
|
1.834568695440902 0.2834398113391254E-02
|
|
1.838672875967615 0.2712544346260847E-02
|
|
1.842777056494329 0.2586980098424378E-02
|
|
1.846881237021042 0.2458526725556707E-02
|
|
1.850985417547756 0.2327943946740265E-02
|
|
1.855089598074469 0.2195975952350415E-02
|
|
1.859193778601183 0.2063339729291049E-02
|
|
1.863297959127896 0.1930724271639309E-02
|
|
1.867402139654609 0.1798824325227150E-02
|
|
1.871506320181323 0.1668190599943375E-02
|
|
1.875610500708036 0.1539462404651042E-02
|
|
1.879714681234750 0.1413214668541408E-02
|
|
1.883818861761463 0.1289992373329668E-02
|
|
1.887923042288177 0.1170308820113664E-02
|
|
1.892027222814890 0.1054567126482212E-02
|
|
1.896131403341603 0.9433956373773721E-03
|
|
1.900235583868317 0.8371057152867225E-03
|
|
1.904339764395030 0.7360496991324841E-03
|
|
1.908443944921744 0.6405335776373958E-03
|
|
1.912548125448457 0.5509994696224673E-03
|
|
1.916652305975170 0.4672642718023532E-03
|
|
1.920756486501884 0.3896662365774003E-03
|
|
1.924860667028597 0.3183457862059078E-03
|
|
1.928964847555311 0.2534088141679191E-03
|
|
1.933069028082024 0.1949246208468493E-03
|
|
1.937173208608738 0.1427822399177175E-03
|
|
1.941277389135451 0.9727552874494176E-04
|
|
1.945381569662164 0.5820228708346773E-04
|
|
1.949485750188878 0.2542835800744634E-04
|
|
1.953589930715591 -0.1248408102896777E-05
|
|
1.957694111242305 -0.2210164444695376E-04
|
|
1.961798291769018 -0.3746863412274105E-04
|
|
1.965902472295731 -0.4779216830311595E-04
|
|
1.970006652822445 -0.5355531765496868E-04
|
|
1.974110833349158 -0.5531788945805188E-04
|
|
1.978215013875872 -0.5370027472545495E-04
|
|
1.982319194402585 -0.4937382540276102E-04
|
|
1.986423374929299 -0.4283713286876864E-04
|
|
1.990527555456012 -0.3527897674136332E-04
|
|
1.994631735982725 -0.2723970599634525E-04
|
|
1.998735916509439 -0.1941807219651991E-04
|
|
2.002840097036152 -0.1245025538396937E-04
|
|
2.006944277562866 -0.6877958394612487E-05
|
|
2.011048458089579 -0.4222999537292825E-05
|
|
2.015152638616293 -0.2419644063776455E-05
|
|
2.019256819143006 -0.2370003849729840E-05
|
|
2.023360999669720 -0.3841651259451303E-05
|
|
2.027465180196433 -0.6374668732427380E-05
|
|
2.031569360723146 -0.9258324198483379E-05
|
|
2.035673541249860 -0.5806709357020726E-05
|
|
2.039777721776573 -0.5681375337763733E-05
|
|
2.043881902303287 -0.4017057393413873E-05
|
|
2.047986082830000 0.000000000000000
|
|
# Vna:__________________________
|
|
500 0.1933743327183080E-01 9.649379202643571 # npts, delta, cutoff
|
|
0.000000000000000 -5.390506414629477
|
|
0.1933743327183080E-01 -5.388039048457314
|
|
0.3867486654366160E-01 -5.380680923073826
|
|
0.5801229981549241E-01 -5.368501164469398
|
|
0.7734973308732321E-01 -5.351573545650472
|
|
0.9668716635915400E-01 -5.329977340689140
|
|
0.1160245996309848 -5.303798524536940
|
|
0.1353620329028156 -5.273131256607180
|
|
0.1546994661746464 -5.238079572214525
|
|
0.1740368994464772 -5.198759194845988
|
|
0.1933743327183080 -5.155299374374939
|
|
0.2127117659901388 -5.107844652071089
|
|
0.2320491992619696 -5.056556452836440
|
|
0.2513866325338004 -5.001614408609516
|
|
0.2707240658056312 -4.943217324285747
|
|
0.2900614990774620 -4.881583708605331
|
|
0.3093989323492928 -4.816951806915675
|
|
0.3287363656211236 -4.749579090032223
|
|
0.3480737988929544 -4.679741172971676
|
|
0.3674112321647852 -4.607730158364769
|
|
0.3867486654366160 -4.533852421063469
|
|
0.4060860987084469 -4.458425871917439
|
|
0.4254235319802777 -4.381776759050101
|
|
0.4447609652521085 -4.304236083300819
|
|
0.4640983985239392 -4.226135720058461
|
|
0.4834358317957700 -4.147804351741320
|
|
0.5027732650676009 -4.069563323244529
|
|
0.5221106983394317 -3.991722536297004
|
|
0.5414481316112625 -3.914576497821271
|
|
0.5607855648830933 -3.838400632056181
|
|
0.5801229981549241 -3.763447956715043
|
|
0.5994604314267549 -3.689946210240968
|
|
0.6187978646985857 -3.618095500987788
|
|
0.6381352979704165 -3.548066530698701
|
|
0.6574727312422473 -3.479999424669347
|
|
0.6768101645140780 -3.414003180735768
|
|
0.6961475977859088 -3.350155729202823
|
|
0.7154850310577396 -3.288504577145940
|
|
0.7348224643295704 -3.229067993850716
|
|
0.7541598976014012 -3.171836679992345
|
|
0.7734973308732320 -3.116775852028259
|
|
0.7928347641450629 -3.063827665508934
|
|
0.8121721974168937 -3.012913896319144
|
|
0.8315096306887245 -2.963938797754396
|
|
0.8508470639605553 -2.916792053004551
|
|
0.8701844972323861 -2.871351746905915
|
|
0.8895219305042169 -2.827487287510204
|
|
0.9088593637760477 -2.785062216318159
|
|
0.9281967970478785 -2.743936855375993
|
|
0.9475342303197093 -2.703970749722073
|
|
0.9668716635915401 -2.665024873692648
|
|
0.9862090968633709 -2.626963579956904
|
|
1.005546530135202 -2.589656279396951
|
|
1.024883963407033 -2.552978848499138
|
|
1.044221396678863 -2.516814768647069
|
|
1.063558829950694 -2.481056007696811
|
|
1.082896263222525 -2.445603659359366
|
|
1.102233696494356 -2.410368359685318
|
|
1.121571129766187 -2.375270503023524
|
|
1.140908563038017 -2.340240280294885
|
|
1.160245996309848 -2.305217564381856
|
|
1.179583429581679 -2.270151666272745
|
|
1.198920862853510 -2.235000984766134
|
|
1.218258296125341 -2.199732572656588
|
|
1.237595729397171 -2.164321637844132
|
|
1.256933162669002 -2.128750999110212
|
|
1.276270595940833 -2.093010511357898
|
|
1.295608029212664 -2.057096475571968
|
|
1.314945462484495 -2.021011043680774
|
|
1.334282895756325 -1.984761630303986
|
|
1.353620329028156 -1.948360337621542
|
|
1.372957762299987 -1.911823400657134
|
|
1.392295195571818 -1.875170658043617
|
|
1.411632628843648 -1.838425050824457
|
|
1.430970062115479 -1.801612152901708
|
|
1.450307495387310 -1.764759733418912
|
|
1.469644928659141 -1.727897352830915
|
|
1.488982361930972 -1.691055991555913
|
|
1.508319795202802 -1.654267711267644
|
|
1.527657228474633 -1.617565348180371
|
|
1.546994661746464 -1.580982236133421
|
|
1.566332095018295 -1.544551959017005
|
|
1.585669528290126 -1.508308130369553
|
|
1.605006961561957 -1.472284198715035
|
|
1.624344394833787 -1.436513276919642
|
|
1.643681828105618 -1.401027993950355
|
|
1.663019261377449 -1.365860367341987
|
|
1.682356694649280 -1.331041694634732
|
|
1.701694127921111 -1.296602462808003
|
|
1.721031561192941 -1.262572273599059
|
|
1.740368994464772 -1.228979783668756
|
|
1.759706427736603 -1.195852658664249
|
|
1.779043861008434 -1.163217539411816
|
|
1.798381294280265 -1.131100019239263
|
|
1.817718727552095 -1.099524631667092
|
|
1.837056160823926 -1.068514847303889
|
|
1.856393594095757 -1.038093078770104
|
|
1.875731027367588 -1.008280692880211
|
|
1.895068460639419 -0.9790980294332672
|
|
1.914405893911249 -0.9505644249777268
|
|
1.933743327183080 -0.9226982420470980
|
|
1.953080760454911 -0.8955169014765215
|
|
1.972418193726742 -0.8690369176270600
|
|
1.991755626998573 -0.8432739728873445
|
|
2.011093060270404 -0.8182427260338175
|
|
2.030430493542234 -0.7939576184097573
|
|
2.049767926814065 -0.7704311256841990
|
|
2.069105360085896 -0.7476669133972822
|
|
2.088442793357727 -0.7256522312150152
|
|
2.107780226629557 -0.7043482521144763
|
|
2.127117659901388 -0.6837215193075545
|
|
2.146455093173219 -0.6637560167804213
|
|
2.165792526445050 -0.6444237472240886
|
|
2.185129959716881 -0.6257002888550109
|
|
2.204467392988712 -0.6075648523703889
|
|
2.223804826260542 -0.5899955772935191
|
|
2.243142259532373 -0.5729721654388057
|
|
2.262479692804204 -0.5564752209520404
|
|
2.281817126076035 -0.5404861457469190
|
|
2.301154559347865 -0.5249871650719181
|
|
2.320491992619696 -0.5099612610349793
|
|
2.339829425891527 -0.4953921334448542
|
|
2.359166859163358 -0.4812641628255823
|
|
2.378504292435188 -0.4675623740898901
|
|
2.397841725707019 -0.4542724031564738
|
|
2.417179158978850 -0.4413804659082480
|
|
2.436516592250681 -0.4288733286175257
|
|
2.455854025522512 -0.4167382337841978
|
|
2.475191458794343 -0.4049631329105213
|
|
2.494528892066174 -0.3935363609892239
|
|
2.513866325338004 -0.3824453061898824
|
|
2.533203758609835 -0.3716817334733148
|
|
2.552541191881666 -0.3612388808019369
|
|
2.571878625153497 -0.3510815945658764
|
|
2.591216058425327 -0.3411975966382226
|
|
2.610553491697158 -0.3316076562179793
|
|
2.629890924968989 -0.3223099136658372
|
|
2.649228358240820 -0.3132835099492340
|
|
2.668565791512651 -0.3045214630528660
|
|
2.687903224784482 -0.2960153320964430
|
|
2.707240658056312 -0.2877562757145076
|
|
2.726578091328143 -0.2797362365934274
|
|
2.745915524599974 -0.2719474749923928
|
|
2.765252957871805 -0.2643825965570143
|
|
2.784590391143635 -0.2570345245444390
|
|
2.803927824415466 -0.2498964756230018
|
|
2.823265257687297 -0.2429619387427247
|
|
2.842602690959128 -0.2362246566186040
|
|
2.861940124230959 -0.2296786093369177
|
|
2.881277557502790 -0.2233179998620859
|
|
2.900614990774620 -0.2171372410720617
|
|
2.919952424046451 -0.2111309441662822
|
|
2.939289857318282 -0.2052939081699969
|
|
2.958627290590113 -0.1996211104661864
|
|
2.977964723861943 -0.1941076981506186
|
|
2.997302157133774 -0.1887489801375294
|
|
3.016639590405605 -0.1835404198801443
|
|
3.035977023677436 -0.1784776286668090
|
|
3.055314456949267 -0.1735563593915168
|
|
3.074651890221098 -0.1687725007566535
|
|
3.093989323492928 -0.1641220718328646
|
|
3.113326756764759 -0.1596012169922466
|
|
3.132664190036590 -0.1552062011389512
|
|
3.152001623308421 -0.1509334051908304
|
|
3.171339056580252 -0.1467793218233519
|
|
3.190676489852082 -0.1427405514355805
|
|
3.210013923123913 -0.1388137983363525
|
|
3.229351356395744 -0.1349958670911963
|
|
3.248688789667575 -0.1312836590132027
|
|
3.268026222939405 -0.1276741688591594
|
|
3.287363656211236 -0.1241644816977127
|
|
3.306701089483067 -0.1207517698713269
|
|
3.326038522754898 -0.1174332900536356
|
|
3.345375956026729 -0.1142063804729321
|
|
3.364713389298560 -0.1110684582751750
|
|
3.384050822570390 -0.1080170169571730
|
|
3.403388255842221 -0.1050496238745727
|
|
3.422725689114052 -0.1021639178731602
|
|
3.442063122385883 -0.9935760701997071E-01
|
|
3.461400555657713 -0.9662846640572123E-01
|
|
3.480737988929544 -0.9397433602740522E-01
|
|
3.500075422201375 -0.9139311874940650E-01
|
|
3.519412855473206 -0.8888277833935465E-01
|
|
3.538750288745037 -0.8644133756594786E-01
|
|
3.558087722016868 -0.8406687636764418E-01
|
|
3.577425155288698 -0.8175753010517713E-01
|
|
3.596762588560529 -0.7951148786293705E-01
|
|
3.616100021832360 -0.7732699077408098E-01
|
|
3.635437455104191 -0.7520233044118366E-01
|
|
3.654774888376021 -0.7313584739360816E-01
|
|
3.674112321647852 -0.7112592963219423E-01
|
|
3.693449754919683 -0.6917101119134061E-01
|
|
3.712787188191514 -0.6726957072949721E-01
|
|
3.732124621463345 -0.6542013018877241E-01
|
|
3.751462054735176 -0.6362125351678329E-01
|
|
3.770799488007007 -0.6187154540357921E-01
|
|
3.790136921278837 -0.6016965007721680E-01
|
|
3.809474354550668 -0.5851425010699842E-01
|
|
3.828811787822499 -0.5690406526376729E-01
|
|
3.848149221094330 -0.5533785145353336E-01
|
|
3.867486654366160 -0.5381439963714441E-01
|
|
3.886824087637991 -0.5233253481214833E-01
|
|
3.906161520909822 -0.5089111497978639E-01
|
|
3.925498954181653 -0.4948903017967166E-01
|
|
3.944836387453484 -0.4812520158373367E-01
|
|
3.964173820725315 -0.4679858057333466E-01
|
|
3.983511253997145 -0.4550814787231987E-01
|
|
4.002848687268976 -0.4425291267024235E-01
|
|
4.022186120540807 -0.4303191179760771E-01
|
|
4.041523553812637 -0.4184420894820367E-01
|
|
4.060860987084468 -0.4068889389133511E-01
|
|
4.080198420356299 -0.3956508173239253E-01
|
|
4.099535853628130 -0.3847191215984395E-01
|
|
4.118873286899960 -0.3740854873828985E-01
|
|
4.138210720171791 -0.3637417824195122E-01
|
|
4.157548153443622 -0.3536800998097529E-01
|
|
4.176885586715454 -0.3438927516948674E-01
|
|
4.196223019987284 -0.3343722627818546E-01
|
|
4.215560453259115 -0.3251113643885516E-01
|
|
4.234897886530946 -0.3161029884550124E-01
|
|
4.254235319802777 -0.3073402620296913E-01
|
|
4.273572753074607 -0.2988165016223457E-01
|
|
4.292910186346438 -0.2905252079063731E-01
|
|
4.312247619618269 -0.2824600603635491E-01
|
|
4.331585052890100 -0.2746149122422287E-01
|
|
4.350922486161931 -0.2669837857478513E-01
|
|
4.370259919433761 -0.2595608672222167E-01
|
|
4.389597352705592 -0.2523405025676672E-01
|
|
4.408934785977423 -0.2453171926837422E-01
|
|
4.428272219249254 -0.2384855891413684E-01
|
|
4.447609652521084 -0.2318404899323652E-01
|
|
4.466947085792915 -0.2253768353785554E-01
|
|
4.486284519064746 -0.2190897041334545E-01
|
|
4.505621952336577 -0.2129743093166422E-01
|
|
4.524959385608407 -0.2070259947490759E-01
|
|
4.544296818880238 -0.2012402313121854E-01
|
|
4.563634252152069 -0.1956126133869588E-01
|
|
4.582971685423900 -0.1901388554495300E-01
|
|
4.602309118695731 -0.1848147887008114E-01
|
|
4.621646551967562 -0.1796363578494810E-01
|
|
4.640983985239393 -0.1745996178960058E-01
|
|
4.660321418511224 -0.1697007311050854E-01
|
|
4.679658851783054 -0.1649359640085854E-01
|
|
4.698996285054885 -0.1603016845474748E-01
|
|
4.718333718326716 -0.1557943592514451E-01
|
|
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|
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|
|
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|
|
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|
|
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|
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|
|
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|
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|
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|
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|
|
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|
5.027732650676008 -0.9840232519553550E-02
|
|
5.047070083947840 -0.9559604706364683E-02
|
|
5.066407517219671 -0.9286721525021699E-02
|
|
5.085744950491501 -0.9021373001096128E-02
|
|
5.105082383763332 -0.8763354816753053E-02
|
|
5.124419817035163 -0.8512468150491947E-02
|
|
5.143757250306994 -0.8268519531025356E-02
|
|
5.163094683578824 -0.8031320693332683E-02
|
|
5.182432116850655 -0.7800688433095103E-02
|
|
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|
|
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|
|
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|
|
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|
|
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|
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|
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|
|
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|
|
5.356469016297132 -0.5992601497061360E-02
|
|
5.375806449568963 -0.5818579343930486E-02
|
|
5.395143882840793 -0.5649406054106700E-02
|
|
5.414481316112624 -0.5484949498738323E-02
|
|
5.433818749384455 -0.5325081103487447E-02
|
|
5.453156182656286 -0.5169675740813266E-02
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|
5.472493615928117 -0.5018611646174623E-02
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|
5.491831049199948 -0.4871770321434986E-02
|
|
5.511168482471779 -0.4729036455208661E-02
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|
5.530505915743610 -0.4590297833254887E-02
|
|
5.549843349015440 -0.4455445256241614E-02
|
|
5.569180782287271 -0.4324372461396318E-02
|
|
5.588518215559102 -0.4196976040070078E-02
|
|
5.607855648830933 -0.4073155364431738E-02
|
|
5.627193082102764 -0.3952812511490275E-02
|
|
5.646530515374594 -0.3835852193163435E-02
|
|
5.665867948646425 -0.3722181685060255E-02
|
|
5.685205381918256 -0.3611710758542943E-02
|
|
5.704542815190087 -0.3504351614710729E-02
|
|
5.723880248461917 -0.3400018819456609E-02
|
|
5.743217681733748 -0.3298629241004566E-02
|
|
5.762555115005579 -0.3200101988711655E-02
|
|
5.781892548277410 -0.3104358354167575E-02
|
|
5.801229981549240 -0.3011321752542400E-02
|
|
5.820567414821071 -0.2920917667154207E-02
|
|
5.839904848092902 -0.2833073593979550E-02
|
|
5.859242281364733 -0.2747718989651009E-02
|
|
5.878579714636563 -0.2664785219128117E-02
|
|
5.897917147908394 -0.2584205505417886E-02
|
|
5.917254581180226 -0.2505914881195761E-02
|
|
5.936592014452057 -0.2429850140286753E-02
|
|
5.955929447723887 -0.2355949791878895E-02
|
|
5.975266880995718 -0.2284154015464228E-02
|
|
5.994604314267549 -0.2214404616422729E-02
|
|
6.013941747539380 -0.2146644984329519E-02
|
|
6.033279180811210 -0.2080820050855377E-02
|
|
6.052616614083041 -0.2016876249196088E-02
|
|
6.071954047354872 -0.1954761476235804E-02
|
|
6.091291480626703 -0.1894425051804099E-02
|
|
6.110628913898533 -0.1835817683081145E-02
|
|
6.129966347170364 -0.1778891428635775E-02
|
|
6.149303780442195 -0.1723599660709081E-02
|
|
6.168641213714026 -0.1669897035459733E-02
|
|
6.187978646985856 -0.1617739456821695E-02
|
|
6.207316080257687 -0.1567084044172666E-02
|
|
6.226653513529518 -0.1517889103268894E-02
|
|
6.245990946801349 -0.1470114091066032E-02
|
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6.265328380073180 -0.1423719588600587E-02
|
|
6.284665813345010 -0.1378667271257883E-02
|
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6.304003246616841 -0.1334919880316969E-02
|
|
6.323340679888672 -0.1292441195708575E-02
|
|
6.342678113160503 -0.1251196009114124E-02
|
|
6.362015546432334 -0.1211150097898934E-02
|
|
6.381352979704165 -0.1172270200415110E-02
|
|
6.400690412975996 -0.1134523990487078E-02
|
|
6.420027846247827 -0.1097880054114958E-02
|
|
6.439365279519657 -0.1062307858772220E-02
|
|
6.458702712791488 -0.1027777764210906E-02
|
|
6.478040146063319 -0.9942609459388293E-03
|
|
6.497377579335150 -0.9617294083007769E-03
|
|
6.516715012606980 -0.9301559869653971E-03
|
|
6.536052445878811 -0.8995141942187735E-03
|
|
6.555389879150642 -0.8697784133606257E-03
|
|
6.574727312422473 -0.8409237472880644E-03
|
|
6.594064745694303 -0.8129259960294289E-03
|
|
6.613402178966134 -0.7857617532467486E-03
|
|
6.632739612237965 -0.7594081933477673E-03
|
|
6.652077045509796 -0.7338431533536117E-03
|
|
6.671414478781626 -0.7090450821316810E-03
|
|
6.690751912053457 -0.6849929986166508E-03
|
|
6.710089345325288 -0.6616665381201343E-03
|
|
6.729426778597119 -0.6390458075666355E-03
|
|
6.748764211868949 -0.6171114446177593E-03
|
|
6.768101645140780 -0.5958446158885335E-03
|
|
6.787439078412612 -0.5752268481539272E-03
|
|
6.806776511684443 -0.5552402635739224E-03
|
|
6.826113944956274 -0.5358674134037969E-03
|
|
6.845451378228104 -0.5170912902540674E-03
|
|
6.864788811499935 -0.4988953681058746E-03
|
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6.884126244771766 -0.4812635144793016E-03
|
|
6.903463678043597 -0.4641800255089934E-03
|
|
6.922801111315427 -0.4476296056695966E-03
|
|
6.942138544587258 -0.4315973565474178E-03
|
|
6.961475977859089 -0.4160687713138103E-03
|
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6.980813411130920 -0.4010297175874455E-03
|
|
7.000150844402750 -0.3864664325644862E-03
|
|
7.019488277674581 -0.3723655122763955E-03
|
|
7.038825710946412 -0.3587139038187603E-03
|
|
7.058163144218243 -0.3454988943808473E-03
|
|
7.077500577490073 -0.3327081038046141E-03
|
|
7.096838010761904 -0.3203294758532963E-03
|
|
7.116175444033735 -0.3083512698791473E-03
|
|
7.135512877305566 -0.2967620531980826E-03
|
|
7.154850310577396 -0.2855506926274595E-03
|
|
7.174187743849227 -0.2747063472918213E-03
|
|
7.193525177121058 -0.2642184616431407E-03
|
|
7.212862610392889 -0.2540767560787310E-03
|
|
7.232200043664720 -0.2442712231691241E-03
|
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7.251537476936551 -0.2347921189045698E-03
|
|
7.270874910208382 -0.2256299564227128E-03
|
|
7.290212343480213 -0.2167754990545901E-03
|
|
7.309549776752043 -0.2082197557952981E-03
|
|
7.328887210023874 -0.1999539722107914E-03
|
|
7.348224643295705 -0.1919696261228391E-03
|
|
7.367562076567536 -0.1842584212872969E-03
|
|
7.386899509839366 -0.1768122814761924E-03
|
|
7.406236943111197 -0.1696233454820618E-03
|
|
7.425574376383028 -0.1626839606413238E-03
|
|
7.444911809654859 -0.1559866781475269E-03
|
|
7.464249242926690 -0.1495242477265986E-03
|
|
7.483586676198520 -0.1432896130062722E-03
|
|
7.502924109470351 -0.1372759047885592E-03
|
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7.522261542742182 -0.1314764392591837E-03
|
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7.541598976014013 -0.1258847113938191E-03
|
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7.560936409285843 -0.1204943908739459E-03
|
|
7.580273842557674 -0.1152993176875344E-03
|
|
7.599611275829505 -0.1102934976445683E-03
|
|
7.618948709101336 -0.1054710983978172E-03
|
|
7.638286142373166 -0.1008264451376249E-03
|
|
7.657623575644998 -0.9635401557264266E-04
|
|
7.676961008916829 -0.9204844023262304E-04
|
|
7.696298442188660 -0.8790449227561090E-04
|
|
7.715635875460490 -0.8391708754669711E-04
|
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7.734973308732321 -0.8008128011597655E-04
|
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7.754310742004152 -0.7639226043447506E-04
|
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7.773648175275983 -0.7284534491537141E-04
|
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7.792985608547813 -0.6943598310744779E-04
|
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7.812323041819644 -0.6615974815398865E-04
|
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7.831660475091475 -0.6301233502563458E-04
|
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7.850997908363306 -0.5998955742726237E-04
|
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7.870335341635136 -0.5708734331670217E-04
|
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7.889672774906967 -0.5430173851141455E-04
|
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7.909010208178798 -0.5162889291346010E-04
|
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7.928347641450629 -0.4906506493212830E-04
|
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7.947685074722459 -0.4660661700853895E-04
|
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7.967022507994290 -0.4425001422799467E-04
|
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7.986359941266121 -0.4199181605384542E-04
|
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8.005697374537952 -0.3982868308363407E-04
|
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8.025034807809783 -0.3775736849524819E-04
|
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8.044372241081614 -0.3577471711048475E-04
|
|
8.063709674353445 -0.3387766197132274E-04
|
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8.083047107625275 -0.3206322683075313E-04
|
|
8.102384540897106 -0.3032851629559337E-04
|
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8.121721974168937 -0.2867071860289946E-04
|
|
8.141059407440768 -0.2708710234204050E-04
|
|
8.160396840712599 -0.2557501524755819E-04
|
|
8.179734273984430 -0.2413187856915214E-04
|
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8.199071707256261 -0.2275519080470924E-04
|
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8.218409140528092 -0.2144252221200742E-04
|
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8.237746573799921 -0.2019151380672678E-04
|
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8.257084007071752 -0.1899987502919575E-04
|
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8.276421440343583 -0.1786538426798648E-04
|
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8.295758873615414 -0.1678588370494004E-04
|
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8.315096306887245 -0.1575927977979714E-04
|
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8.334433740159076 -0.1478354108121294E-04
|
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8.353771173430907 -0.1385669676245945E-04
|
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8.373108606702738 -0.1297683542603700E-04
|
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8.392446039974567 -0.1214210174305794E-04
|
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8.411783473246398 -0.1135069799761277E-04
|
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8.431120906518229 -0.1060088068511725E-04
|
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8.450458339790060 -0.9890959587943912E-05
|
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8.469795773061891 -0.9219295557637877E-05
|
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8.489133206333722 -0.8584302837200459E-05
|
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8.508470639605553 -0.7984442161639403E-05
|
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8.527808072877384 -0.7418223057114205E-05
|
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8.547145506149214 -0.6884201809655629E-05
|
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8.566482939421045 -0.6380980292700634E-05
|
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8.585820372692876 -0.5907205952172151E-05
|
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8.605157805964707 -0.5461565773887463E-05
|
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8.624495239236538 -0.5042793120568573E-05
|
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8.643832672508369 -0.4649661466438065E-05
|
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8.663170105780200 -0.4280984622803114E-05
|
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8.682507539052031 -0.3935614811714232E-05
|
|
8.701844972323862 -0.3612445571739179E-05
|
|
8.721182405595691 -0.3310404855193346E-05
|
|
8.740519838867522 -0.3028457827809182E-05
|
|
8.759857272139353 -0.2765605085061583E-05
|
|
8.779194705411184 -0.2520881754643986E-05
|
|
8.798532138683015 -0.2293356569927516E-05
|
|
8.817869571954846 -0.2082131272860413E-05
|
|
8.837207005226677 -0.1886339416089198E-05
|
|
8.856544438498508 -0.1705145825974613E-05
|
|
8.875881871770337 -0.1537745784376435E-05
|
|
8.895219305042168 -0.1383364295707995E-05
|
|
8.914556738313999 -0.1241256179651575E-05
|
|
8.933894171585830 -0.1110701850824307E-05
|
|
8.953231604857661 -0.9910123071156568E-06
|
|
8.972569038129492 -0.8815247135440891E-06
|
|
8.991906471401323 -0.7816026658076070E-06
|
|
9.011243904673155 -0.6906345367884590E-06
|
|
9.030581337944984 -0.6080371200947811E-06
|
|
9.049918771216815 -0.5332486066292655E-06
|
|
9.069256204488646 -0.4657320170069208E-06
|
|
9.088593637760477 -0.4049737075535386E-06
|
|
9.107931071032308 -0.3504828145646877E-06
|
|
9.127268504304139 -0.3017913340688170E-06
|
|
9.146605937575970 -0.2584510223195332E-06
|
|
9.165943370847801 -0.2200368250486849E-06
|
|
9.185280804119630 -0.1861439021351125E-06
|
|
9.204618237391461 -0.1563877375152353E-06
|
|
9.223955670663292 -0.1304036858511929E-06
|
|
9.243293103935123 -0.1078463275385463E-06
|
|
9.262630537206954 -0.8838989790878435E-07
|
|
9.281967970478785 -0.7172655965350662E-07
|
|
9.301305403750616 -0.5756683483133348E-07
|
|
9.320642837022447 -0.4563901698089528E-07
|
|
9.339980270294278 -0.3568879027546570E-07
|
|
9.359317703566107 -0.2747876366079035E-07
|
|
9.378655136837938 -0.2078852041081971E-07
|
|
9.397992570109770 -0.1541366528719833E-07
|
|
9.417330003381601 -0.1116587578780636E-07
|
|
9.436667436653432 -0.7872492819015217E-08
|
|
9.456004869925263 -0.5376212443543470E-08
|
|
9.475342303197094 -0.3530403512070534E-08
|
|
9.494679736468925 -0.2216729465088762E-08
|
|
9.514017169740754 -0.1318800839157554E-08
|
|
9.533354603012585 -0.7379569737709926E-09
|
|
9.552692036284416 -0.3892463067600059E-09
|
|
9.572029469556247 -0.2010841989064833E-09
|
|
9.591366902828078 -0.3129279245500301E-10
|
|
9.610704336099909 0.5491980583871101E-11
|
|
9.630041769371740 -0.9350701013552252E-11
|
|
9.649379202643571 0.000000000000000
|
|
# Chlocal:__________________________
|
|
500 0.6199829734268537E-02 3.093715037400000 # npts, delta, cutoff
|
|
0.000000000000000 -1.581580404002035
|
|
0.6199829734268537E-02 -1.580137043286339
|
|
0.1239965946853707E-01 -1.575734111803093
|
|
0.1859948920280561E-01 -1.571258967362186
|
|
0.2479931893707415E-01 -1.566712525009005
|
|
0.3099914867134269E-01 -1.562095704377397
|
|
0.3719897840561122E-01 -1.557409429457059
|
|
0.4339880813987976E-01 -1.552654628362079
|
|
0.4959863787414830E-01 -1.547832233100670
|
|
0.5579846760841684E-01 -1.542943179346188
|
|
0.6199829734268537E-01 -1.537988406209454
|
|
0.6819812707695391E-01 -1.532968856012469
|
|
0.7439795681122244E-01 -1.527885474063552
|
|
0.8059778654549098E-01 -1.522739208433967
|
|
0.8679761627975952E-01 -1.517531009736099
|
|
0.9299744601402805E-01 -1.512261830903207
|
|
0.9919727574829659E-01 -1.506932626970824
|
|
0.1053971054825651 -1.501544354859856
|
|
0.1115969352168337 -1.496097973161399
|
|
0.1177967649511022 -1.490594441923360
|
|
0.1239965946853707 -1.485034722438897
|
|
0.1301964244196393 -1.479419777036731
|
|
0.1363962541539078 -1.473750568873386
|
|
0.1425960838881764 -1.468028061727369
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2.033544152840080 0.5560421010221433E-03
|
|
2.039743982574349 0.2051800531889857E-02
|
|
2.045943812308617 0.3216937390696228E-02
|
|
2.052143642042886 0.4070349194612508E-02
|
|
2.058343471777154 0.4571749630283989E-02
|
|
2.064543301511423 0.4708312667906974E-02
|
|
2.070743131245691 0.4542561971685189E-02
|
|
2.076942960979960 0.4133456937852101E-02
|
|
2.083142790714228 0.3575926558733528E-02
|
|
2.089342620448497 0.2858945783011375E-02
|
|
2.095542450182765 0.2386870398692073E-02
|
|
2.101742279917034 0.2117660774241254E-02
|
|
2.107942109651303 0.2071683017433912E-02
|
|
2.114141939385571 0.2407972613361207E-02
|
|
2.120341769119840 0.2608146702633831E-02
|
|
2.126541598854108 0.2750589453345024E-02
|
|
2.132741428588377 0.2781581708865719E-02
|
|
2.138941258322645 0.2682327041045479E-02
|
|
2.145141088056914 0.2347637443261686E-02
|
|
2.151340917791182 0.2166297595167658E-02
|
|
2.157540747525451 0.2020749310556009E-02
|
|
2.163740577259719 0.1931528337475194E-02
|
|
2.169940406993988 0.1975001079488520E-02
|
|
2.176140236728256 0.1955088129581843E-02
|
|
2.182340066462525 0.1932405646811559E-02
|
|
2.188539896196794 0.1896697465111796E-02
|
|
2.194739725931062 0.1813827368700539E-02
|
|
2.200939555665331 0.1751953756394913E-02
|
|
2.207139385399599 0.1690639193582455E-02
|
|
2.213339215133868 0.1633273014730419E-02
|
|
2.219539044868136 0.1582089262458425E-02
|
|
2.225738874602405 0.1545474211326306E-02
|
|
2.231938704336673 0.1502497684055806E-02
|
|
2.238138534070942 0.1460768734157921E-02
|
|
2.244338363805210 0.1419561870192436E-02
|
|
2.250538193539479 0.1376378431914984E-02
|
|
2.256738023273747 0.1335957623458638E-02
|
|
2.262937853008016 0.1296635099598307E-02
|
|
2.269137682742285 0.1258522809747738E-02
|
|
2.275337512476553 0.1221694619623751E-02
|
|
2.281537342210822 0.1186540437243025E-02
|
|
2.287737171945090 0.1152063512641735E-02
|
|
2.293937001679359 0.1118607362020392E-02
|
|
2.300136831413627 0.1086121390953095E-02
|
|
2.306336661147896 0.1054497380033685E-02
|
|
2.312536490882164 0.1023847854486022E-02
|
|
2.318736320616433 0.9940960333933145E-03
|
|
2.324936150350701 0.9652177853277044E-03
|
|
2.331135980084970 0.9371893437951816E-03
|
|
2.337335809819238 0.9099952124503518E-03
|
|
2.343535639553507 0.8835913644551952E-03
|
|
2.349735469287776 0.8579616454324084E-03
|
|
2.355935299022044 0.8330829023677494E-03
|
|
2.362135128756313 0.8089327774564795E-03
|
|
2.368334958490581 0.7854884921601192E-03
|
|
2.374534788224850 0.7627322738748144E-03
|
|
2.380734617959118 0.7406426541542999E-03
|
|
2.386934447693387 0.7191999617656340E-03
|
|
2.393134277427655 0.6983850294584419E-03
|
|
2.399334107161924 0.6783174020923862E-03
|
|
2.405533936896192 0.6586287524965876E-03
|
|
2.411733766630461 0.6394795518036468E-03
|
|
2.417933596364729 0.6208885213321366E-03
|
|
2.424133426098998 0.6028797074297245E-03
|
|
2.430333255833267 0.5824040026238074E-03
|
|
2.436533085567535 0.5674283789143206E-03
|
|
2.442732915301804 0.5537122284038067E-03
|
|
2.448932745036072 0.5403634531105766E-03
|
|
2.455132574770341 0.5541766599876297E-03
|
|
2.461332404504609 0.5334573369785021E-03
|
|
2.467532234238878 0.5017877670282656E-03
|
|
2.473732063973146 0.4636158470216980E-03
|
|
2.479931893707415 0.4262295382010184E-03
|
|
2.486131723441683 0.2880938168479376E-03
|
|
2.492331553175952 0.2993412342106063E-03
|
|
2.498531382910220 0.3693688895350368E-03
|
|
2.504731212644489 0.4831180557371598E-03
|
|
2.510931042378758 0.6110299683515520E-03
|
|
2.517130872113026 0.9819721581601206E-03
|
|
2.523330701847295 0.9652093118741726E-03
|
|
2.529530531581563 0.7477204992718233E-03
|
|
2.535730361315832 0.3325729099869052E-03
|
|
2.541930191050100 -0.2398263847683862E-03
|
|
2.548130020784369 -0.8949905078702941E-03
|
|
2.554329850518637 -0.1909999010950477E-02
|
|
2.560529680252906 -0.2223234055957078E-02
|
|
2.566729509987174 -0.2209148300281629E-02
|
|
2.572929339721443 -0.1858570065727059E-02
|
|
2.579129169455711 -0.1213933571321192E-02
|
|
2.585328999189980 0.7229581789754196E-04
|
|
2.591528828924249 0.8163843785392187E-03
|
|
2.597728658658517 0.1389822648295859E-02
|
|
2.603928488392786 0.1728470896227255E-02
|
|
2.610128318127054 0.1808259348465790E-02
|
|
2.616328147861323 0.1304640783803921E-02
|
|
2.622527977595591 0.1067406872369383E-02
|
|
2.628727807329860 0.8169215785310762E-03
|
|
2.634927637064128 0.6021828258793972E-03
|
|
2.641127466798397 0.4575226623472186E-03
|
|
2.647327296532665 0.5723478487913325E-03
|
|
2.653527126266934 0.5603130485623286E-03
|
|
2.659726956001202 0.5634999656965390E-03
|
|
2.665926785735471 0.5694697739750608E-03
|
|
2.672126615469740 0.5675271918966779E-03
|
|
2.678326445204008 0.5504260294842070E-03
|
|
2.684526274938277 0.4683750686819737E-03
|
|
2.690726104672545 0.4374304200590001E-03
|
|
2.696925934406813 0.4071640410691397E-03
|
|
2.703125764141082 0.3789404159298985E-03
|
|
2.709325593875351 0.3538538980504841E-03
|
|
2.715525423609619 0.3403722501220013E-03
|
|
2.721725253343888 0.3207421688344496E-03
|
|
2.727925083078156 0.3023260392788407E-03
|
|
2.734124912812425 0.2849977962523142E-03
|
|
2.740324742546693 0.2686398231306280E-03
|
|
2.746524572280962 0.2531530616362653E-03
|
|
2.752724402015231 0.2381462905845024E-03
|
|
2.758924231749499 0.2243453981207263E-03
|
|
2.765124061483768 0.2113461135950306E-03
|
|
2.771323891218036 0.1991018216024289E-03
|
|
2.777523720952304 0.1875686222657079E-03
|
|
2.783723550686573 0.1767051692009378E-03
|
|
2.789923380420842 0.1664725078273936E-03
|
|
2.796123210155110 0.1568339453939395E-03
|
|
2.802323039889379 0.1477549099105029E-03
|
|
2.808522869623647 0.1392028284896496E-03
|
|
2.814722699357916 0.1311470126660045E-03
|
|
2.820922529092184 0.1235587867440860E-03
|
|
2.827122358826453 0.1164103722874462E-03
|
|
2.833322188560722 0.1096763857246008E-03
|
|
2.839522018294990 0.1033327139059508E-03
|
|
2.845721848029259 0.9735667251268240E-04
|
|
2.851921677763527 0.9172692312477048E-04
|
|
2.858121507497795 0.8642307986665945E-04
|
|
2.864321337232064 0.8142701301996093E-04
|
|
2.870521166966333 0.7672056500804728E-04
|
|
2.876720996700601 0.7228695221515432E-04
|
|
2.882920826434870 0.6811034791811680E-04
|
|
2.889120656169138 0.6417605265575702E-04
|
|
2.895320485903407 0.6046949019292243E-04
|
|
2.901520315637675 0.5697759160521311E-04
|
|
2.907720145371944 0.5368785292988682E-04
|
|
2.913919975106213 0.5058849929865710E-04
|
|
2.920119804840481 0.4766844625148638E-04
|
|
2.926319634574750 0.4490963097140132E-04
|
|
2.932519464309018 0.4231905164566013E-04
|
|
2.938719294043286 0.3988003089147921E-04
|
|
2.944919123777555 0.3758320294676938E-04
|
|
2.951118953511824 0.3541943523889495E-04
|
|
2.957318783246092 0.3337995026400481E-04
|
|
2.963518612980361 0.3146479412646807E-04
|
|
2.969718442714629 0.2964800590406134E-04
|
|
2.975918272448898 0.2793118785331740E-04
|
|
2.982118102183166 0.2630944942507124E-04
|
|
2.988317931917435 0.2477933086708223E-04
|
|
2.994517761651704 0.2333864326381218E-04
|
|
3.000717591385972 0.2196550527843991E-04
|
|
3.006917421120241 0.2070377551682230E-04
|
|
3.013117250854509 0.1953333527275204E-04
|
|
3.019317080588777 0.1845029683255455E-04
|
|
3.025516910323046 0.1744684235352453E-04
|
|
3.031716740057314 0.1650968328081337E-04
|
|
3.037916569791583 0.1567964841201046E-04
|
|
3.044116399525852 0.1479956655029116E-04
|
|
3.050316229260120 0.1387663563831042E-04
|
|
3.056516058994389 0.1285601467416825E-04
|
|
3.062715888728657 0.1167115375789238E-04
|
|
3.068915718462926 0.1024272757929204E-04
|
|
3.075115548197195 0.8216913031644819E-05
|
|
3.081315377931463 0.5985994306827748E-05
|
|
3.087515207665732 0.3276778561420525E-05
|
|
3.093715037400000 0.000000000000000
|
|
# Core:__________________________
|
|
500 0.7667784560641283E-02 3.826224495760000 # npts, delta, cutoff
|
|
0.000000000000000 3.723508152363431
|
|
0.7667784560641283E-02 3.723345748500292
|
|
0.1533556912128257E-01 3.722850340059255
|
|
0.2300335368192385E-01 3.722024084416466
|
|
0.3067113824256513E-01 3.720866120123274
|
|
0.3833892280320642E-01 3.719375243103451
|
|
0.4600670736384770E-01 3.717549908455735
|
|
0.5367449192448898E-01 3.715388232854850
|
|
0.6134227648513026E-01 3.712887997693324
|
|
0.6901006104577155E-01 3.710046652444916
|
|
0.7667784560641283E-01 3.706861318864318
|
|
0.8434563016705411E-01 3.703328795685319
|
|
0.9201341472769539E-01 3.699445563765750
|
|
0.9968119928833667E-01 3.695207792003024
|
|
0.1073489838489780 3.690611343830996
|
|
0.1150167684096192 3.685651784021603
|
|
0.1226845529702605 3.680324386722227
|
|
0.1303523375309018 3.674624143481693
|
|
0.1380201220915431 3.668545772262066
|
|
0.1456879066521844 3.662083727035599
|
|
0.1533556912128257 3.655232208068410
|
|
0.1610234757734669 3.647985172929874
|
|
0.1686912603341082 3.640336348043144
|
|
0.1763590448947495 3.632279241119654
|
|
0.1840268294553908 3.623807154182483
|
|
0.1916946140160321 3.614913197496818
|
|
0.1993623985766733 3.605590303975597
|
|
0.2070301831373146 3.595831244573350
|
|
0.2146979676979559 3.585628644426541
|
|
0.2223657522585972 3.574974999707876
|
|
0.2300335368192385 3.563862695165693
|
|
0.2377013213798798 3.552284022722386
|
|
0.2453691059405211 3.540231200568117
|
|
0.2530368905011623 3.527696393400340
|
|
0.2607046750618036 3.514671733102197
|
|
0.2683724596224449 3.501149340422063
|
|
0.2760402441830862 3.487121347534113
|
|
0.2837080287437275 3.472579921148003
|
|
0.2913758133043687 3.457517286612545
|
|
0.2990435978650101 3.441925752762490
|
|
0.3067113824256513 3.425797737352561
|
|
0.3143791669862926 3.409125793567035
|
|
0.3220469515469339 3.391902636838541
|
|
0.3297147361075752 3.374121172743130
|
|
0.3373825206682164 3.355774525346457
|
|
0.3450503052288577 3.336856066158143
|
|
0.3527180897894990 3.317359443884601
|
|
0.3603858743501403 3.297278614484126
|
|
0.3680536589107816 3.276607871942478
|
|
0.3757214434714229 3.255341879329901
|
|
0.3833892280320642 3.233475700355650
|
|
0.3910570125927054 3.211004831220799
|
|
0.3987247971533467 3.187925232691601
|
|
0.4063925817139880 3.164233362463656
|
|
0.4140603662746293 3.139926207502792
|
|
0.4217281508352705 3.115001316508394
|
|
0.4293959353959119 3.089456832232047
|
|
0.4370637199565531 3.063291523678387
|
|
0.4447315045171944 3.036504818074043
|
|
0.4523992890778357 3.009096832300446
|
|
0.4600670736384770 2.981068404024293
|
|
0.4677348581991183 2.952421122104235
|
|
0.4754026427597595 2.923157356299918
|
|
0.4830704273204008 2.893280286118935
|
|
0.4907382118810421 2.862793928643620
|
|
0.4984059964416834 2.831703165295630
|
|
0.5060737810023247 2.800013767224833
|
|
0.5137415655629659 2.767732419393848
|
|
0.5214093501236072 2.734866743007522
|
|
0.5290771346842486 2.701425316318791
|
|
0.5367449192448898 2.667417693484262
|
|
0.5444127038055311 2.632854421506699
|
|
0.5520804883661724 2.597747054922574
|
|
0.5597482729268136 2.562108168261628
|
|
0.5674160574874549 2.525951365968987
|
|
0.5750838420480963 2.489291289845746
|
|
0.5827516266087375 2.452143623546938
|
|
0.5904194111693788 2.414525094387844
|
|
0.5980871957300201 2.376453472036455
|
|
0.6057549802906613 2.337947564025461
|
|
0.6134227648513026 2.299027207483909
|
|
0.6210905494119440 2.259713266622410
|
|
0.6287583339725852 2.220027573028067
|
|
0.6364261185332265 2.179993036070301
|
|
0.6440939030938677 2.139633238053877
|
|
0.6517616876545090 2.098972064033498
|
|
0.6594294722151504 2.058038061926724
|
|
0.6670972567757916 2.016868470209613
|
|
0.6747650413364329 1.975506811897650
|
|
0.6824328258970742 1.934001371959160
|
|
0.6901006104577154 1.892403721437643
|
|
0.6977683950183567 1.850767469296689
|
|
0.7054361795789981 1.809147217014752
|
|
0.7131039641396393 1.767597682268355
|
|
0.7207717487002806 1.726172972338662
|
|
0.7284395332609219 1.684925988389092
|
|
0.7361073178215631 1.643907943857898
|
|
0.7437751023822045 1.603167982042674
|
|
0.7514428869428458 1.562752879545389
|
|
0.7591106715034870 1.522706823617158
|
|
0.7667784560641283 1.483071253170420
|
|
0.7744462406247695 1.443884753862000
|
|
0.7821140251854108 1.405182999231872
|
|
0.7897818097460522 1.366998730686284
|
|
0.7974495943066934 1.329361769803464
|
|
0.8051173788673347 1.292299057631679
|
|
0.8127851634279760 1.255834715902752
|
|
0.8204529479886172 1.219990126028059
|
|
0.8281207325492586 1.184784022229433
|
|
0.8357885171098999 1.150232595540462
|
|
0.8434563016705411 1.116349605967466
|
|
0.8511240862311824 1.083146500457550
|
|
0.8587918707918237 1.050632534668186
|
|
0.8664596553524649 1.018814896821498
|
|
0.8741274399131063 0.9876988322075995
|
|
0.8817952244737476 0.9572877671309865
|
|
0.8894630090343888 0.9275834312995648
|
|
0.8971307935950301 0.8985859778418483
|
|
0.9047985781556714 0.8702941002853024
|
|
0.9124663627163127 0.8427051459683845
|
|
0.9201341472769540 0.8158152254679830
|
|
0.9278019318375952 0.7896193177465830
|
|
0.9354697163982365 0.7641113707973476
|
|
0.9431375009588778 0.7392843976200186
|
|
0.9508052855195190 0.7151305674607324
|
|
0.9584730700801604 0.6916412922817798
|
|
0.9661408546408017 0.6688073084647592
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