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7079 lines
354 KiB
7079 lines
354 KiB
<preamble>
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<basis_specs>
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===============================================================================
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Ge Z= 32 Mass= 72.610 Charge= 0.17977+309
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Lmxo=1 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=0 (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: 6.5814 4.4116
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lambdas: 1.0000 1.0000
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L=1 Nsemic=0 Cnfigmx=4
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i=1 nzeta=2 polorb=1 (4p)
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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: 9.3395 5.6647
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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=1 erefs: 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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Ge pb rel nc
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ATM3 17-OCT-13 Troullier-Martins
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4s 2.00r r= 2.81/4p 2.00r r= 2.11/4d 0.00r r= 2.71/4f 0.00r r= 2.45/
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</pseudopotential_header>
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</preamble>
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Ge # Symbol
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Ge # Label
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32 # Atomic number
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4.00000000000 # Valence charge
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72.6100000000 # Mass
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10.2968736702 # Self energy
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2 5 # Lmax for basis, no. of nl orbitals
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3 7 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 0.1318924217901012E-01 6.581431847326051 # npts, delta, cutoff
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0.000000000000000 0.4925955660973397
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0.1318924217901012E-01 0.4925946066275391
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0.2637848435802025E-01 0.4925926761097314
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0.3956772653703037E-01 0.4925894585891435
|
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0.5275696871604049E-01 0.4925849540201773
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0.6594621089505062E-01 0.4925791622739624
|
|
0.7913545307406074E-01 0.4925720830718455
|
|
0.9232469525307085E-01 0.4925637158960844
|
|
0.1055139374320810 0.4925540598826844
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|
0.1187031796110911 0.4925431137024222
|
|
0.1318924217901012 0.4925308754040023
|
|
0.1450816639691113 0.4925173422723871
|
|
0.1582709061481215 0.4925025106340048
|
|
0.1714601483271316 0.4924863756623983
|
|
0.1846493905061417 0.4924689311757336
|
|
0.1978386326851518 0.4924501693857117
|
|
0.2110278748641620 0.4924300806737634
|
|
0.2242171170431721 0.4924086533095576
|
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0.2374063592221822 0.4923858731818772
|
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0.2505956014011924 0.4923617235048020
|
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0.2637848435802025 0.4923361845139130
|
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0.2769740857592126 0.4923092331364302
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0.2901633279382227 0.4922808426703321
|
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0.3033525701172328 0.4922509824332339
|
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0.3165418122962430 0.4922196174027662
|
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0.3297310544752531 0.4921867078578955
|
|
0.3429202966542632 0.4921522089926740
|
|
0.3561095388332733 0.4921160705417209
|
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0.3692987810122834 0.4920782363739323
|
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0.3824880231912935 0.4920386441005540
|
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0.3956772653703037 0.4919972246608040
|
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0.4088665075493138 0.4919539019141759
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0.4220557497283239 0.4919085922194202
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0.4352449919073341 0.4918612040131836
|
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0.4484342340863442 0.4918116373893657
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0.4616234762653543 0.4917597836676872
|
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0.4748127184443645 0.4917055249737500
|
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0.4880019606233745 0.4916487338108162
|
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0.5011912028023847 0.4915892726355772
|
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0.5143804449813948 0.4915269934417212
|
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0.5275696871604050 0.4914617373356303
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0.5407589293394151 0.4913933341334485
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0.5539481715184251 0.4913216019480913
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0.5671374136974353 0.4912463467960936
|
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0.5803266558764454 0.4911673622086563
|
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0.5935158980554556 0.4910844288489797
|
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0.6067051402344656 0.4909973141498394
|
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0.6198943824134758 0.4909057719522243
|
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0.6330836245924859 0.4908095421708160
|
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0.6462728667714960 0.4907083504645133
|
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0.6594621089505062 0.4906019079258687
|
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0.6726513511295162 0.4904899107938812
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0.6858405933085264 0.4903720401771161
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0.6990298354875365 0.4902479618067795
|
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0.7122190776665467 0.4901173258032162
|
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0.7254083198455568 0.4899797664729972
|
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0.7385975620245668 0.4898349021268892
|
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0.7517868042035770 0.4896823349240523
|
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0.7649760463825871 0.4895216507470951
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0.7781652885615973 0.4893524191012051
|
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0.7913545307406074 0.4891741930498413
|
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0.8045437729196175 0.4889865091758034
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0.8177330150986276 0.4887888875807138
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0.8309222572776378 0.4885808319167308
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0.8441114994566479 0.4883618294536097
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0.8573007416356579 0.4881313511853752
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0.8704899838146681 0.4878888519743656
|
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0.8836792259936782 0.4876337707325381
|
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0.8968684681726884 0.4873655306488121
|
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0.9100577103516985 0.4870835394538545
|
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0.9232469525307087 0.4867871897321491
|
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0.9364361947097187 0.4864758592741887
|
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0.9496254368887289 0.4861489114797989
|
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0.9628146790677390 0.4858056957998269
|
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0.9760039212467491 0.4854455482340855
|
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0.9891931634257592 0.4850677918688864
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1.002382405604769 0.4846717374716872
|
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1.015571647783780 0.4842566841213121
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1.028760889962790 0.4838219199112300
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1.041950132141800 0.4833667226736278
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1.055139374320810 0.4828903607758953
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1.068328616499820 0.4823920939635620
|
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1.081517858678830 0.4818711742405001
|
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1.094707100857840 0.4813268468155532
|
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1.107896343036850 0.4807583511000969
|
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1.121085585215861 0.4801649217327413
|
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1.134274827394871 0.4795457896684093
|
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1.147464069573881 0.4789001833326840
|
|
1.160653311752891 0.4782273297876469
|
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1.173842553931901 0.4775264559650906
|
|
1.187031796110911 0.4767967899402690
|
|
1.200221038289921 0.4760375622542943
|
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1.213410280468931 0.4752480072633141
|
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1.226599522647941 0.4744273645325361
|
|
1.239788764826952 0.4735748802799917
|
|
1.252978007005962 0.4726898088357472
|
|
1.266167249184972 0.4717714141431139
|
|
1.279356491363982 0.4708189712934249
|
|
1.292545733542992 0.4698317680621934
|
|
1.305734975722002 0.4688091065068420
|
|
1.318924217901012 0.4677503045519223
|
|
1.332113460080022 0.4666546976010933
|
|
1.345302702259032 0.4655216401610931
|
|
1.358491944438043 0.4643505074710110
|
|
1.371681186617053 0.4631406971393734
|
|
1.384870428796063 0.4618916307735627
|
|
1.398059670975073 0.4606027556086046
|
|
1.411248913154083 0.4592735461241073
|
|
1.424438155333093 0.4579035056423044
|
|
1.437627397512103 0.4564921679108414
|
|
1.450816639691114 0.4550390986595855
|
|
1.464005881870124 0.4535438971244602
|
|
1.477195124049134 0.4520061975314552
|
|
1.490384366228144 0.4504256705493749
|
|
1.503573608407154 0.4488020246898650
|
|
1.516762850586164 0.4471350077319557
|
|
1.529952092765174 0.4454244075435797
|
|
1.543141334944184 0.4436700544064935
|
|
1.556330577123195 0.4418718238784292
|
|
1.569519819302205 0.4400296197796514
|
|
1.582709061481215 0.4381434246175583
|
|
1.595898303660225 0.4362132901332276
|
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1.609087545839235 0.4342392281555796
|
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1.622276788018245 0.4322213153990712
|
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1.635466030197255 0.4301597162696305
|
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1.648655272376265 0.4280546269206528
|
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1.661844514555276 0.4259062942843529
|
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1.675033756734286 0.4237150160020696
|
|
1.688222998913296 0.4214811388838985
|
|
1.701412241092306 0.4192050596397215
|
|
1.714601483271316 0.4168872247815372
|
|
1.727790725450326 0.4145281305028520
|
|
1.740979967629336 0.4121283224385013
|
|
1.754169209808346 0.4096883953037873
|
|
1.767358451987356 0.4072089924116004
|
|
1.780547694166367 0.4046908050677720
|
|
1.793736936345377 0.4021345718446625
|
|
1.806926178524387 0.3995410777338175
|
|
1.820115420703397 0.3969111531790040
|
|
1.833304662882407 0.3942456729899308
|
|
1.846493905061417 0.3915455551399749
|
|
1.859683147240427 0.3888117594504441
|
|
1.872872389419437 0.3860452861638208
|
|
1.886061631598448 0.3832471744095738
|
|
1.899250873777458 0.3804185005666270
|
|
1.912440115956468 0.3775603765265732
|
|
1.925629358135478 0.3746739478629062
|
|
1.938818600314488 0.3717603919110573
|
|
1.952007842493498 0.3688209157643528
|
|
1.965197084672508 0.3658567541925937
|
|
1.978386326851518 0.3628691674893812
|
|
1.991575569030529 0.3598594392542974
|
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2.004764811209539 0.3568288741161217
|
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2.017954053388549 0.3537787954056587
|
|
2.031143295567559 0.3507105427855590
|
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2.044332537746569 0.3476254698423491
|
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2.057521779925579 0.3445249416460802
|
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2.070711022104589 0.3414103322943377
|
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2.083900264283599 0.3382830224491615
|
|
2.097089506462610 0.3351443968530838
|
|
2.110278748641620 0.3319958418330282
|
|
2.123467990820630 0.3288387428520282
|
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2.136657232999640 0.3256744820576190
|
|
2.149846475178650 0.3225044358753018
|
|
2.163035717357660 0.3193299726141942
|
|
2.176224959536671 0.3161524501086085
|
|
2.189414201715680 0.3129732133739039
|
|
2.202603443894691 0.3097935923622682
|
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2.215792686073701 0.3066148997899227
|
|
2.228981928252711 0.3034384290017201
|
|
2.242171170431721 0.3002654519169112
|
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2.255360412610731 0.2970972170498744
|
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2.268549654789741 0.2939349475958622
|
|
2.281738896968751 0.2907798396203469
|
|
2.294928139147761 0.2876330603488388
|
|
2.308117381326772 0.2844957465409039
|
|
2.321306623505782 0.2813690029627192
|
|
2.334495865684792 0.2782539009670229
|
|
2.347685107863802 0.2751514771788401
|
|
2.360874350042812 0.2720627322894724
|
|
2.374063592221822 0.2689886299623434
|
|
2.387252834400832 0.2659300958521051
|
|
2.400442076579842 0.2628880167386682
|
|
2.413631318758853 0.2598632397779623
|
|
2.426820560937863 0.2568565718692790
|
|
2.440009803116873 0.2538687791412163
|
|
2.453199045295883 0.2509005865553545
|
|
2.466388287474893 0.2479526776284685
|
|
2.479577529653903 0.2450256942731103
|
|
2.492766771832913 0.2421202367557506
|
|
2.505956014011923 0.2392368637735647
|
|
2.519145256190933 0.2363760926464567
|
|
2.532334498369944 0.2335383996239782
|
|
2.545523740548954 0.2307242203061507
|
|
2.558712982727964 0.2279339501826969
|
|
2.571902224906974 0.2251679452785258
|
|
2.585091467085984 0.2224265229129860
|
|
2.598280709264994 0.2197099625616885
|
|
2.611469951444005 0.2170185068286853
|
|
2.624659193623014 0.2143523625342827
|
|
2.637848435802025 0.2117117018944489
|
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2.651037677981035 0.2090966638107425
|
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2.664226920160045 0.2065073552469557
|
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2.677416162339055 0.2039438527161632
|
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2.690605404518065 0.2014062038749026
|
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2.703794646697075 0.1988944291972734
|
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2.716983888876086 0.1964085237592974
|
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2.730173131055095 0.1939484590343640
|
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2.743362373234106 0.1915141850952746
|
|
2.756551615413116 0.1891056322564514
|
|
2.769740857592126 0.1867227134197906
|
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2.782930099771136 0.1843653263523780
|
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2.796119341950146 0.1820333562932564
|
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2.809308584129156 0.1797266768449567
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2.822497826308166 0.1774451545868137
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2.835687068487176 0.1751886497103915
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2.848876310666187 0.1729570190087508
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2.862065552845197 0.1707501137422984
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2.875254795024207 0.1685677814362150
|
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2.888444037203217 0.1664098658071309
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2.901633279382227 0.1642762070877146
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2.914822521561237 0.1621666421527946
|
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2.928011763740247 0.1600810045472421
|
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2.941201005919257 0.1580191251107100
|
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2.954390248098267 0.1559808318999226
|
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2.967579490277278 0.1539659504683981
|
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2.980768732456288 0.1519743040752379
|
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2.993957974635298 0.1500057137130796
|
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3.007147216814308 0.1480599985518273
|
|
3.020336458993318 0.1461369758606849
|
|
3.033525701172328 0.1442364615516201
|
|
3.046714943351339 0.1423582695259408
|
|
3.059904185530348 0.1405022123083710
|
|
3.073093427709359 0.1386681006900605
|
|
3.086282669888369 0.1368557448321528
|
|
3.099471912067379 0.1350649539009704
|
|
3.112661154246389 0.1332955365596535
|
|
3.125850396425399 0.1315473006092203
|
|
3.139039638604409 0.1298200533773194
|
|
3.152228880783420 0.1281136017247260
|
|
3.165418122962429 0.1264277522053029
|
|
3.178607365141440 0.1247623111214218
|
|
3.191796607320450 0.1231170846109233
|
|
3.204985849499460 0.1214918787563758
|
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3.218175091678470 0.1198864996546635
|
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3.231364333857480 0.1183007534993087
|
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3.244553576036490 0.1167344466571152
|
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3.257742818215501 0.1151873857400196
|
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3.270932060394510 0.1136593776763657
|
|
3.284121302573521 0.1121502297731128
|
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3.297310544752531 0.1106597497816026
|
|
3.310499786931541 0.1091877459556628
|
|
3.323689029110551 0.1077340271125042
|
|
3.336878271289561 0.1062984026855997
|
|
3.350067513468571 0.1048806827781831
|
|
3.363256755647581 0.1034806782115532
|
|
3.376445997826591 0.1020982005732163
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|
3.389635240005602 0.1007330622614159
|
|
3.402824482184612 0.9938507652825325E-01
|
|
3.416013724363622 0.9805405751996972E-01
|
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3.429202966542632 0.9673982031545478E-01
|
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3.442392208721642 0.9544218096254682E-01
|
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3.455581450900652 0.9416095651248914E-01
|
|
3.468770693079662 0.9289596505246572E-01
|
|
3.481959935258673 0.9164702573621340E-01
|
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3.495149177437682 0.9041395881313613E-01
|
|
3.508338419616693 0.8919658565541227E-01
|
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3.521527661795703 0.8799472878372760E-01
|
|
3.534716903974713 0.8680821189110124E-01
|
|
3.547906146153723 0.8563685986551831E-01
|
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3.561095388332733 0.8448049881086946E-01
|
|
3.574284630511743 0.8333895606671823E-01
|
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3.587473872690754 0.8221206022651703E-01
|
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3.600663114869763 0.8109964115461123E-01
|
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3.613852357048774 0.8000153000190575E-01
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3.627041599227784 0.7891755922047798E-01
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3.640230841406794 0.7784756257683087E-01
|
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3.653420083585804 0.7679137516424149E-01
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3.666609325764814 0.7574883341371175E-01
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3.679798567943824 0.7471977510418622E-01
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3.692987810122835 0.7370403937166330E-01
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3.719366294480855 0.7171189901472504E-01
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3.732555536659865 0.7073517951651041E-01
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3.745744778838875 0.6977115285948404E-01
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3.758934021017885 0.6881966506961014E-01
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3.772123263196895 0.6788056356585756E-01
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3.785312505375905 0.6695369716337132E-01
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3.798501747554916 0.6603891607602204E-01
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3.811690989733926 0.6513607191801803E-01
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3.824880231912936 0.6424501770515459E-01
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3.838069474091946 0.6336560785516357E-01
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3.851258716270956 0.6249769818779431E-01
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3.864447958449966 0.6164114592402058E-01
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3.877637200628976 0.6079580968482124E-01
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3.890826442807986 0.5996154948942176E-01
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3.904015684986996 0.5913822675299998E-01
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3.917204927166007 0.5832570428393723E-01
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3.930394169345017 0.5752384628059392E-01
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3.943583411524027 0.5673251832764675E-01
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3.956772653703037 0.5595158739200523E-01
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3.969961895882047 0.5518092181832355E-01
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3.983151138061057 0.5442039132415848E-01
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3.996340380240067 0.5366986699470667E-01
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4.009529622419078 0.5292922127725298E-01
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4.022718864598088 0.5219832797529947E-01
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4.035908106777097 0.5147706224220778E-01
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4.049097348956108 0.5076530057493132E-01
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4.062286591135118 0.5006292080708248E-01
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4.075475833314128 0.4936980210186761E-01
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4.088665075493138 0.4868582494493465E-01
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4.101854317672148 0.4801087113654275E-01
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4.115043559851158 0.4734482378394956E-01
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4.128232802030168 0.4668756729341340E-01
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4.141422044209179 0.4603898736184837E-01
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4.154611286388189 0.4539897096870790E-01
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4.167800528567199 0.4476740636726138E-01
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4.180989770746209 0.4414418307589292E-01
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4.194179012925219 0.4352919186928002E-01
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4.207368255104229 0.4292232476925532E-01
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4.220557497283240 0.4232347503570780E-01
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4.233746739462250 0.4173253715728333E-01
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4.246935981641260 0.4114940684192214E-01
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4.260125223820269 0.4057398100742452E-01
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4.273314465999280 0.4000615777177268E-01
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4.286503708178290 0.3944583644342026E-01
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4.299692950357300 0.3889291751153011E-01
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4.312882192536311 0.3834730263603118E-01
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4.326071434715320 0.3780889463771335E-01
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4.339260676894330 0.3727759748822741E-01
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4.352449919073341 0.3675331629992887E-01
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4.365639161252351 0.3623595731591450E-01
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4.392017645610371 0.3522163652535471E-01
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4.405206887789381 0.3472449276668728E-01
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4.418396129968391 0.3423390728752180E-01
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4.431585372147401 0.3374979183116385E-01
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4.444774614326412 0.3327205921016773E-01
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4.457963856505422 0.3280062329596154E-01
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4.471153098684431 0.3233539900863971E-01
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4.484342340863442 0.3187630230658162E-01
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4.497531583042452 0.3142325017615089E-01
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4.510720825221462 0.3097616062138701E-01
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4.523910067400473 0.3053495265370401E-01
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4.537099309579482 0.3009954628160492E-01
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4.550288551758492 0.2966986250041170E-01
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4.563477793937502 0.2924582328201658E-01
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4.576667036116513 0.2882735156465361E-01
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4.589856278295523 0.2841437124270470E-01
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4.603045520474533 0.2800680715652747E-01
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4.616234762653543 0.2760458508232181E-01
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4.629424004832553 0.2720763172202138E-01
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4.642613247011563 0.2681587469324421E-01
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4.655802489190574 0.2642924251926301E-01
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4.668991731369584 0.2604766461903575E-01
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4.682180973548594 0.2567107129724058E-01
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4.695370215727603 0.2529939373443780E-01
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4.708559457906614 0.2493256397720437E-01
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4.721748700085624 0.2457051492835416E-01
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4.748127184443645 0.2386049478989564E-01
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4.761316426622654 0.2351239369977725E-01
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4.774505668801664 0.2316881329782549E-01
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4.787694910980675 0.2282969062315975E-01
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4.800884153159685 0.2249496351355530E-01
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4.814073395338695 0.2216457059611973E-01
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4.827262637517705 0.2183845127793698E-01
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4.840451879696715 0.2151654573681912E-01
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4.853641121875725 0.2119879491210792E-01
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4.866830364054735 0.2088514049558056E-01
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4.880019606233746 0.2057552492234165E-01
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4.893208848412756 0.2026989136186456E-01
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4.906398090591765 0.1996818370907641E-01
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4.919587332770776 0.1967034657544797E-01
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4.932776574949786 0.1937632528029868E-01
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4.945965817128796 0.1908606584203427E-01
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4.959155059307807 0.1879951496951730E-01
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4.972344301486816 0.1851662005349275E-01
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4.985533543665826 0.1823732915811418E-01
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4.998722785844836 0.1796159101248209E-01
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5.011912028023847 0.1768935500231373E-01
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5.025101270202857 0.1742057116165854E-01
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5.038290512381867 0.1715519016469381E-01
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5.051479754560877 0.1689316331758182E-01
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5.064668996739887 0.1663444255042652E-01
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5.077858238918897 0.1637898040927781E-01
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5.091047481097908 0.1612673004822224E-01
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5.104236723276918 0.1587764522155102E-01
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5.117425965455928 0.1563168027597022E-01
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5.130615207634938 0.1538879014295287E-01
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5.143804449813948 0.1514893033109519E-01
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5.156993691992958 0.1491205691858019E-01
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5.170182934171968 0.1467812654570687E-01
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5.183372176350979 0.1444709640750145E-01
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5.196561418529988 0.1421892424638283E-01
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5.209750660708998 0.1399356834492075E-01
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5.222939902888009 0.1377098751866029E-01
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5.236129145067019 0.1355114110900484E-01
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5.249318387246029 0.1333398897620369E-01
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5.262507629425039 0.1311949149238089E-01
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5.275696871604049 0.1290760953465009E-01
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5.288886113783059 0.1269830447829852E-01
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5.302075355962069 0.1249153819004065E-01
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5.315264598141080 0.1228727302134587E-01
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5.328453840320090 0.1208547180183357E-01
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5.341643082499099 0.1188609783273956E-01
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5.354832324678110 0.1168911488045214E-01
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5.368021566857120 0.1149448717012115E-01
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5.381210809036130 0.1130217937931450E-01
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5.394400051215141 0.1111215663178948E-01
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5.407589293394151 0.1092438449128386E-01
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5.420778535573160 0.1073882895539812E-01
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5.433967777752171 0.1055545644954062E-01
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5.447157019931181 0.1037423382093634E-01
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5.460346262110191 0.1019512833270772E-01
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5.473535504289201 0.1001810765801460E-01
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5.486724746468211 0.9843139874262280E-02
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5.499913988647221 0.9670193457369809E-02
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5.513103230826231 0.9499237276121751E-02
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5.526292473005242 0.9330240586542133E-02
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5.539481715184252 0.9163173026373270E-02
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5.552670957363262 0.8998004609596565E-02
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5.565860199542272 0.8834705721030466E-02
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5.579049441721282 0.8673247110929500E-02
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5.592238683900292 0.8513599889768984E-02
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5.605427926079302 0.8355735522965278E-02
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5.618617168258313 0.8199625825715137E-02
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5.631806410437322 0.8045242957873851E-02
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5.644995652616332 0.7892559418938206E-02
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5.658184894795343 0.7741548042992659E-02
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5.671374136974353 0.7592181993805034E-02
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5.684563379153363 0.7444434759935566E-02
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5.697752621332373 0.7298280149910139E-02
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5.710941863511383 0.7153692287454796E-02
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5.724131105690393 0.7010645606754504E-02
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5.737320347869404 0.6869114847831394E-02
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5.750509590048414 0.6729075051910556E-02
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5.763698832227424 0.6590501556871445E-02
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5.776888074406433 0.6453369992746853E-02
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5.790077316585444 0.6317656277268083E-02
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5.803266558764454 0.6183336611473384E-02
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5.816455800943464 0.6050387475355468E-02
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5.829645043122475 0.5918785623564931E-02
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5.842834285301485 0.5788508081162289E-02
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5.856023527480494 0.5659532139417034E-02
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5.869212769659505 0.5531835351666153E-02
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5.882402011838515 0.5405395529197565E-02
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5.895591254017525 0.5280190737204433E-02
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5.908780496196535 0.5156199290774783E-02
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5.921969738375545 0.5033399750932660E-02
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5.935158980554555 0.4911770920708948E-02
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5.948348222733565 0.4791291841290015E-02
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5.961537464912576 0.4671941788178695E-02
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5.974726707091586 0.4553700267414595E-02
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5.987915949270596 0.4436547011834879E-02
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6.001105191449606 0.4320461977378475E-02
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6.014294433628616 0.4205425339429793E-02
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6.027483675807626 0.4091417489209903E-02
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6.040672917986637 0.3978419030203107E-02
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6.053862160165647 0.3866410774626996E-02
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6.067051402344656 0.3755373739941986E-02
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6.080240644523666 0.3645289145399376E-02
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6.093429886702677 0.3536138408634301E-02
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6.106619128881687 0.3427903142284665E-02
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6.119808371060697 0.3320565150660817E-02
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6.132997613239707 0.3214106426446369E-02
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6.146186855418717 0.3108509147437971E-02
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6.159376097597727 0.3003755673317164E-02
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6.172565339776738 0.2899828542466783E-02
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6.185754581955748 0.2796710468814286E-02
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6.198943824134758 0.2694384338713868E-02
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6.212133066313768 0.2592833207862215E-02
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6.225322308492778 0.2492040298249997E-02
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6.238511550671788 0.2391988995136715E-02
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6.251700792850798 0.2292662844078601E-02
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6.264890035029809 0.2194045547968904E-02
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6.278079277208819 0.2096120964119565E-02
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6.291268519387828 0.1998873101372364E-02
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6.304457761566839 0.1902286117233356E-02
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6.317647003745849 0.1806344315077482E-02
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6.330836245924859 0.1711032141301790E-02
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6.344025488103870 0.1616334182588639E-02
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6.357214730282879 0.1522235163159235E-02
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6.370403972461889 0.1428719942062957E-02
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6.383593214640899 0.1335773510163702E-02
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6.396782456819910 0.1243380988865337E-02
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6.409971698998920 0.1151527625413972E-02
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6.423160941177930 0.1060198791601377E-02
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6.436350183356940 0.9693799808880713E-03
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6.449539425535950 0.8790568058562968E-03
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6.462728667714960 0.7892149856955317E-03
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6.475917909893971 0.6998403845131801E-03
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6.489107152072981 0.6109189494511286E-03
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6.502296394251990 0.5224367448034022E-03
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6.515485636431001 0.4343799410117191E-03
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6.528674878610011 0.3467348120411653E-03
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6.541864120789021 0.2594870914340458E-03
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6.555053362968031 0.1726244834128768E-03
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6.568242605147042 0.8613318983104734E-04
|
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6.581431847326051 0.000000000000000
|
|
0 4 2 0 0.000000 #orbital l, n, z, is_polarized, population
|
|
500 0.8840962247575150E-02 4.411640161540000 # npts, delta, cutoff
|
|
0.000000000000000 0.5611149505275133
|
|
0.8840962247575150E-02 0.5611145394690649
|
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0.1768192449515030E-01 0.5611147206720217
|
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0.2652288674272545E-01 0.5611150227095312
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0.3536384899030060E-01 0.5611154455673958
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0.4420481123787575E-01 0.5611159892293174
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0.5304577348545091E-01 0.5611166536606265
|
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0.6188673573302605E-01 0.5611174387974029
|
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0.7072769798060120E-01 0.5611183445274953
|
|
0.7956866022817635E-01 0.5611193706782706
|
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0.8840962247575150E-01 0.5611205169929671
|
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0.9725058472332665E-01 0.5611217831110089
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0.1060915469709018 0.5611231685415062
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|
0.1149325092184770 0.5611246726408086
|
|
0.1237734714660521 0.5611262945760587
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|
0.1326144337136272 0.5611280332949427
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|
0.1414553959612024 0.5611298874981748
|
|
0.1502963582087776 0.5611318555869849
|
|
0.1591373204563527 0.5611339356395708
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|
0.1679782827039279 0.5611361253624376
|
|
0.1768192449515030 0.5611384220499515
|
|
0.1856602071990782 0.5611408225318532
|
|
0.1945011694466533 0.5611433231238945
|
|
0.2033421316942285 0.5611459195948455
|
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0.2121830939418036 0.5611486070887733
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0.2210240561893788 0.5611513800826617
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0.2298650184369539 0.5611542323328039
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0.2387059806845291 0.5611571568119121
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0.2475469429321042 0.5611601456429050
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0.2563879051796794 0.5611631900464126
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0.2652288674272545 0.5611662802700483
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0.2740698296748297 0.5611694055216254
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0.2829107919224048 0.5611725539077138
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0.2917517541699799 0.5611757123541884
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0.3005927164175551 0.5611788665440942
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0.3094336786651303 0.5611820008389398
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0.3182746409127054 0.5611850982069803
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0.3271156031602805 0.5611881401489286
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0.3359565654078557 0.5611911066212679
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0.3447975276554309 0.5611939759530188
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0.3536384899030060 0.5611967247787961
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|
0.3624794521505812 0.5611993279432391
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0.3713204143981563 0.5612017584298469
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|
0.3801613766457315 0.5612039872808060
|
|
0.3890023388933066 0.5612059835034391
|
|
0.3978433011408818 0.5612077140002354
|
|
0.4066842633884569 0.5612091434746653
|
|
0.4155252256360321 0.5612102343515758
|
|
0.4243661878836072 0.5612109466877445
|
|
0.4332071501311824 0.5612112380938643
|
|
0.4420481123787575 0.5612110636410163
|
|
0.4508890746263327 0.5612103757759195
|
|
0.4597300368739078 0.5612091242431274
|
|
0.4685709991214830 0.5612072559869006
|
|
0.4774119613690581 0.5612047150725916
|
|
0.4862529236166332 0.5612014426027189
|
|
0.4950938858642084 0.5611973766232703
|
|
0.5039348481117836 0.5611924520473630
|
|
0.5127758103593587 0.5611866005677029
|
|
0.5216167726069338 0.5611797505688344
|
|
0.5304577348545090 0.5611718270499410
|
|
0.5392986971020842 0.5611627515410296
|
|
0.5481396593496594 0.5611524420173641
|
|
0.5569806215972345 0.5611408128274770
|
|
0.5658215838448096 0.5611277746033246
|
|
0.5746625460923848 0.5611132341937599
|
|
0.5835035083399599 0.5610970945793138
|
|
0.5923444705875350 0.5610792548013178
|
|
0.6011854328351103 0.5610596098897732
|
|
0.6100263950826854 0.5610380507870463
|
|
0.6188673573302605 0.5610144642823692
|
|
0.6277083195778357 0.5609887329443140
|
|
0.6365492818254108 0.5609607350524187
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3.456816238801884 0.4159325324508511E-01
|
|
3.465657201049459 0.4071194088367983E-01
|
|
3.474498163297034 0.3984240335974925E-01
|
|
3.483339125544609 0.3898455968798612E-01
|
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3.492180087792184 0.3813832921677487E-01
|
|
3.501021050039760 0.3730363163359790E-01
|
|
3.509862012287335 0.3648038697038579E-01
|
|
3.518702974534910 0.3566851560824640E-01
|
|
3.527543936782485 0.3486793828237250E-01
|
|
3.536384899030060 0.3407857608656756E-01
|
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3.545225861277635 0.3330035047763109E-01
|
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3.554066823525210 0.3253318327941088E-01
|
|
3.562907785772786 0.3177699668694634E-01
|
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3.571748748020361 0.3103171327015793E-01
|
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3.580589710267936 0.3029725597748003E-01
|
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3.589430672515511 0.2957354813931744E-01
|
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3.598271634763086 0.2886051347121829E-01
|
|
3.607112597010661 0.2815807607710485E-01
|
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3.615953559258236 0.2746616045212552E-01
|
|
3.624794521505811 0.2678469148544650E-01
|
|
3.633635483753387 0.2611359446287068E-01
|
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3.642476446000962 0.2545279506927137E-01
|
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3.651317408248537 0.2480221939106621E-01
|
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3.660158370496112 0.2416179391814658E-01
|
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3.668999332743688 0.2353144554608098E-01
|
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3.677840294991263 0.2291110157798047E-01
|
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3.686681257238838 0.2230068972630352E-01
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3.695522219486413 0.2170013811436163E-01
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3.704363181733988 0.2110937527806278E-01
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3.713204143981563 0.2052833016716616E-01
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3.722045106229138 0.1995693214659729E-01
|
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3.730886068476714 0.1939511099762850E-01
|
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3.739727030724289 0.1884279691887009E-01
|
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3.748567992971864 0.1829992052731228E-01
|
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3.757408955219439 0.1776641285910136E-01
|
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3.766249917467014 0.1724220537028870E-01
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3.775090879714589 0.1672722993742969E-01
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3.783931841962164 0.1622141885826853E-01
|
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3.792772804209740 0.1572470485195523E-01
|
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3.801613766457315 0.1523702105953442E-01
|
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3.810454728704890 0.1475830104417434E-01
|
|
3.819295690952465 0.1428847879134074E-01
|
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3.828136653200040 0.1382748870892318E-01
|
|
3.836977615447615 0.1337526562708240E-01
|
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3.845818577695190 0.1293174479843653E-01
|
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3.854659539942765 0.1249686189774355E-01
|
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3.863500502190341 0.1207055302171785E-01
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3.872341464437916 0.1165275468872987E-01
|
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3.881182426685491 0.1124340383845478E-01
|
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3.890023388933066 0.1084243783141117E-01
|
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3.898864351180642 0.1044979444847385E-01
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3.907705313428217 0.1006541189030245E-01
|
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3.916546275675792 0.9689228776710855E-02
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3.925387237923367 0.9321184145975979E-02
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3.934228200170942 0.8961217454087888E-02
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3.943069162418517 0.8609268573942258E-02
|
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3.951910124666092 0.8265277794478349E-02
|
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3.960751086913668 0.7929185819763219E-02
|
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3.969592049161243 0.7600933768016578E-02
|
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3.978433011408818 0.7280463170625987E-02
|
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3.987273973656393 0.6967715971031486E-02
|
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3.996114935903968 0.6662634523644546E-02
|
|
4.004955898151543 0.6365161592683338E-02
|
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4.013796860399118 0.6075240350971618E-02
|
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4.022637822646693 0.5792814378743546E-02
|
|
4.031478784894269 0.5517827662151587E-02
|
|
4.040319747141844 0.5250224592268629E-02
|
|
4.049160709389419 0.4989949963514018E-02
|
|
4.058001671636994 0.4736948972304360E-02
|
|
4.066842633884569 0.4491167215618447E-02
|
|
4.075683596132144 0.4252550689475746E-02
|
|
4.084524558379719 0.4021045787662128E-02
|
|
4.093365520627295 0.3796599299829168E-02
|
|
4.102206482874870 0.3579158410172455E-02
|
|
4.111047445122445 0.3368670695778784E-02
|
|
4.119888407370020 0.3165084125060862E-02
|
|
4.128729369617595 0.2968347055871196E-02
|
|
4.137570331865170 0.2778408234184104E-02
|
|
4.146411294112745 0.2595216792172073E-02
|
|
4.155252256360320 0.2418722246533033E-02
|
|
4.164093218607896 0.2248874496743345E-02
|
|
4.172934180855471 0.2085623823265085E-02
|
|
4.181775143103046 0.1928920885853826E-02
|
|
4.190616105350621 0.1778716721598194E-02
|
|
4.199457067598196 0.1634962743184539E-02
|
|
4.208298029845771 0.1497610737026270E-02
|
|
4.217138992093346 0.1366612861397621E-02
|
|
4.225979954340922 0.1241921644594899E-02
|
|
4.234820916588497 0.1123489982851824E-02
|
|
4.243661878836072 0.1011271138709392E-02
|
|
4.252502841083647 0.9052187389062463E-03
|
|
4.261343803331222 0.8052867724788419E-03
|
|
4.270184765578797 0.7114295888064461E-03
|
|
4.279025727826373 0.6236018961868589E-03
|
|
4.287866690073948 0.5417587575939753E-03
|
|
4.296707652321524 0.4658555920827430E-03
|
|
4.305548614569099 0.3958481706503547E-03
|
|
4.314389576816674 0.3316926147228825E-03
|
|
4.323230539064249 0.2733453941347071E-03
|
|
4.332071501311824 0.2207633295056911E-03
|
|
4.340912463559399 0.1739035721936391E-03
|
|
4.349753425806974 0.1327236284538534E-03
|
|
4.358594388054549 0.9718134124146414E-04
|
|
4.367435350302125 0.6723489192243162E-04
|
|
4.376276312549700 0.4284279828708335E-04
|
|
4.385117274797275 0.2396342710750306E-04
|
|
4.393958237044850 0.1055689494904196E-04
|
|
4.402799199292425 0.2582439196299617E-05
|
|
4.411640161540000 0.000000000000000
|
|
1 4 1 0 2.000000 #orbital l, n, z, is_polarized, population
|
|
500 0.1871649061966385E-01 9.339528819212264 # npts, delta, cutoff
|
|
0.000000000000000 0.2687584974843326
|
|
0.1871649061966385E-01 0.2687577471412073
|
|
0.3743298123932771E-01 0.2687554707068189
|
|
0.5614947185899156E-01 0.2687516763793321
|
|
0.7486596247865542E-01 0.2687463633892428
|
|
0.9358245309831927E-01 0.2687395296491477
|
|
0.1122989437179831 0.2687311707707693
|
|
0.1310154343376470 0.2687212788110981
|
|
0.1497319249573108 0.2687098407609256
|
|
0.1684484155769747 0.2686968367628341
|
|
0.1871649061966385 0.2686822381072920
|
|
0.2058813968163024 0.2686660049890175
|
|
0.2245978874359663 0.2686480840621911
|
|
0.2433143780556301 0.2686284057872254
|
|
0.2620308686752940 0.2686068816226533
|
|
0.2807473592949578 0.2685834010246398
|
|
0.2994638499146217 0.2685578283573924
|
|
0.3181803405342855 0.2685299996484180
|
|
0.3368968311539494 0.2684997192778920
|
|
0.3556133217736132 0.2684667566002019
|
|
0.3743298123932771 0.2684308425246415
|
|
0.3930463030129409 0.2683916660875200
|
|
0.4117627936326048 0.2683488710365197
|
|
0.4304792842522686 0.2683020524768422
|
|
0.4491957748719325 0.2682507535815074
|
|
0.4679122654915964 0.2681944624161777
|
|
0.4866287561112602 0.2681326089037981
|
|
0.5053452467309241 0.2680645619645083
|
|
0.5240617373505879 0.2679896268640148
|
|
0.5427782279702518 0.2679070427937869
|
|
0.5614947185899156 0.2678159807371940
|
|
0.5802112092095795 0.2677155416369250
|
|
0.5989276998292433 0.2676047549082208
|
|
0.6176441904489072 0.2674825773278010
|
|
0.6363606810685710 0.2673478923337154
|
|
0.6550771716882349 0.2671995097717135
|
|
0.6737936623078987 0.2670361661142406
|
|
0.6925101529275626 0.2668565251867490
|
|
0.7112266435472264 0.2666591794379807
|
|
0.7299431341668903 0.2664426517622733
|
|
0.7486596247865541 0.2662053979263967
|
|
0.7673761154062180 0.2659458095985358
|
|
0.7860926060258818 0.2656622180165286
|
|
0.8048090966455457 0.2653528983036584
|
|
0.8235255872652095 0.2650160744446498
|
|
0.8422420778848734 0.2646499249319160
|
|
0.8609585685045372 0.2642525890821073
|
|
0.8796750591242011 0.2638221740238698
|
|
0.8983915497438650 0.2633567623388694
|
|
0.9171080403635289 0.2628544203499578
|
|
0.9358245309831927 0.2623132070286467
|
|
0.9545410216028566 0.2617311834927621
|
|
0.9732575122225204 0.2611064230520114
|
|
0.9919740028421843 0.2604370217635735
|
|
1.010690493461848 0.2597211094409261
|
|
1.029406984081512 0.2589568610335792
|
|
1.048123474701176 0.2581425083574730
|
|
1.066839965320840 0.2572763520329838
|
|
1.085556455940504 0.2563567735828375
|
|
1.104272946560167 0.2553822476028485
|
|
1.122989437179831 0.2543513538855211
|
|
1.141705927799495 0.2532627893606759
|
|
1.160422418419159 0.2521153798432459
|
|
1.179138909038823 0.2509080913401864
|
|
1.197855399658487 0.2496400409032720
|
|
1.216571890278151 0.2483105068636131
|
|
1.235288380897814 0.2469189383112811
|
|
1.254004871517478 0.2454649637672351
|
|
1.272721362137142 0.2439483988597563
|
|
1.291437852756806 0.2423692529465551
|
|
1.310154343376470 0.2407277345578379
|
|
1.328870833996134 0.2390242555876213
|
|
1.347587324615797 0.2372594341217651
|
|
1.366303815235461 0.2354340958581081
|
|
1.385020305855125 0.2335492740568017
|
|
1.403736796474789 0.2316062079659496
|
|
1.422453287094453 0.2296063397115294
|
|
1.441169777714117 0.2275513096276519
|
|
1.459886268333781 0.2254429500567980
|
|
1.478602758953445 0.2232832776167821
|
|
1.497319249573108 0.2210744840036725
|
|
1.516035740192772 0.2188189253810387
|
|
1.534752230812436 0.2165191104367560
|
|
1.553468721432100 0.2141776871987962
|
|
1.572185212051764 0.2117974287284345
|
|
1.590901702671428 0.2093812178143196
|
|
1.609618193291091 0.2069320308030299
|
|
1.628334683910755 0.2044529207157143
|
|
1.647051174530419 0.2019469998072004
|
|
1.665767665150083 0.1994174217489052
|
|
1.684484155769747 0.1968673635794523
|
|
1.703200646389411 0.1943000076195754
|
|
1.721917137009074 0.1917185235161042
|
|
1.740633627628738 0.1891260505913293
|
|
1.759350118248402 0.1865256806702597
|
|
1.778066608868066 0.1839204415512245
|
|
1.796783099487730 0.1813132812815122
|
|
1.815499590107394 0.1787070533946823
|
|
1.834216080727058 0.1761045032417144
|
|
1.852932571346722 0.1735082557390502
|
|
1.871649061966385 0.1709208035990361
|
|
1.890365552586049 0.1683444999239440
|
|
1.909082043205713 0.1657815488484206
|
|
1.927798533825377 0.1632339957420150
|
|
1.946515024445041 0.1607037286263533
|
|
1.965231515064705 0.1581924732039035
|
|
1.983948005684369 0.1557017922090564
|
|
2.002664496304032 0.1532330870943056
|
|
2.021380986923696 0.1507876015495990
|
|
2.040097477543360 0.1483664273109183
|
|
2.058813968163024 0.1459705121621197
|
|
2.077530458782688 0.1436006702829986
|
|
2.096246949402352 0.1412575948990000
|
|
2.114963440022016 0.1389418734190225
|
|
2.133679930641679 0.1366540041977065
|
|
2.152396421261343 0.1343944118689652
|
|
2.171112911881007 0.1321634533507061
|
|
2.189829402500671 0.1299614235172896
|
|
2.208545893120335 0.1277885595861797
|
|
2.227262383739999 0.1256450456951639
|
|
2.245978874359662 0.1235310169227390
|
|
2.264695364979326 0.1214465630980070
|
|
2.283411855598990 0.1193917323220050
|
|
2.302128346218654 0.1173665342760890
|
|
2.320844836838318 0.1153709432970737
|
|
2.339561327457982 0.1134049012371582
|
|
2.358277818077645 0.1114683201344941
|
|
2.376994308697309 0.1095610847004020
|
|
2.395710799316973 0.1076830546370634
|
|
2.414427289936637 0.1058340667972020
|
|
2.433143780556301 0.1040139371961269
|
|
2.451860271175965 0.1022224628862205
|
|
2.470576761795629 0.1004594237026890
|
|
2.489293252415293 0.9872458388903167E-01
|
|
2.508009743034957 0.9701769361107886E-01
|
|
2.526726233654620 0.9533849036596248E-01
|
|
2.545442724274284 0.9368670029204057E-01
|
|
2.564159214893948 0.9206203938875089E-01
|
|
2.582875705513612 0.9046421465414671E-01
|
|
2.601592196133276 0.8889292513431543E-01
|
|
2.620308686752939 0.8734786290119363E-01
|
|
2.639025177372603 0.8582871396842576E-01
|
|
2.657741667992267 0.8433515913576260E-01
|
|
2.676458158611931 0.8286687476470891E-01
|
|
2.695174649231595 0.8142353351050888E-01
|
|
2.713891139851259 0.8000480500247985E-01
|
|
2.732607630470923 0.7861035646845975E-01
|
|
2.751324121090586 0.7723985331440672E-01
|
|
2.770040611710250 0.7589295962618982E-01
|
|
2.788757102329914 0.7456933865787735E-01
|
|
2.807473592949578 0.7326865332158879E-01
|
|
2.826190083569242 0.7199056660913961E-01
|
|
2.844906574188906 0.7073474197383857E-01
|
|
2.863623064808570 0.6950084368511401E-01
|
|
2.882339555428234 0.6828853713786040E-01
|
|
2.901056046047897 0.6709748915273721E-01
|
|
2.919772536667561 0.6592736826167536E-01
|
|
2.938489027287225 0.6477784495533753E-01
|
|
2.957205517906889 0.6364859190394563E-01
|
|
2.975922008526553 0.6253928418824639E-01
|
|
2.994638499146216 0.6144959941583338E-01
|
|
3.013354989765880 0.6037921798045828E-01
|
|
3.032071480385544 0.5932782334422460E-01
|
|
3.050787971005208 0.5829510172148858E-01
|
|
3.069504461624872 0.5728074218972887E-01
|
|
3.088220952244536 0.5628443684374777E-01
|
|
3.106937442864200 0.5530588147447789E-01
|
|
3.125653933483864 0.5434477553831244E-01
|
|
3.144370424103527 0.5340082202672201E-01
|
|
3.163086914723191 0.5247372762412252E-01
|
|
3.181803405342855 0.5156320275482339E-01
|
|
3.200519895962519 0.5066896159445803E-01
|
|
3.219236386582183 0.4979072211599343E-01
|
|
3.237952877201847 0.4892820610752150E-01
|
|
3.256669367821511 0.4808113919150710E-01
|
|
3.275385858441175 0.4724925083769718E-01
|
|
3.294102349060838 0.4643227436781795E-01
|
|
3.312818839680502 0.4562994695785512E-01
|
|
3.331535330300166 0.4484200963807639E-01
|
|
3.350251820919830 0.4406820728735000E-01
|
|
3.368968311539493 0.4330828862312289E-01
|
|
3.387684802159157 0.4256200618881582E-01
|
|
3.406401292778821 0.4182911633779000E-01
|
|
3.425117783398485 0.4110937921490648E-01
|
|
3.443834274018149 0.4040255873498177E-01
|
|
3.462550764637813 0.3970842255887799E-01
|
|
3.481267255257477 0.3902674206739053E-01
|
|
3.499983745877141 0.3835729233314452E-01
|
|
3.518700236496804 0.3769985209051951E-01
|
|
3.537416727116468 0.3705420370389865E-01
|
|
3.556133217736132 0.3642013313430677E-01
|
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8.983915497438650 0.1365034021239743E-03
|
|
9.002631988058313 0.1287084835482022E-03
|
|
9.021348478677977 0.1209888376217981E-03
|
|
9.040064969297642 0.1133430808855558E-03
|
|
9.058781459917306 0.1057698485108621E-03
|
|
9.077497950536969 0.9826779428153211E-04
|
|
9.096214441156633 0.9083558984920829E-04
|
|
9.114930931776296 0.8347192470891147E-04
|
|
9.133647422395960 0.7617550583878245E-04
|
|
9.152363913015625 0.6894505740894072E-04
|
|
9.171080403635289 0.6177931866408436E-04
|
|
9.189796894254952 0.5467705111841941E-04
|
|
9.208513384874616 0.4763702739274898E-04
|
|
9.227229875494279 0.4065803764112337E-04
|
|
9.245946366113944 0.3373888771011528E-04
|
|
9.264662856733608 0.2687839883351846E-04
|
|
9.283379347353272 0.2007533272006678E-04
|
|
9.302095837972935 0.1332868367771504E-04
|
|
9.320812328592599 0.6637274583655165E-05
|
|
9.339528819212264 0.000000000000000
|
|
1 4 2 0 0.000000 #orbital l, n, z, is_polarized, population
|
|
500 0.1135206432382765E-01 5.664680097590000 # npts, delta, cutoff
|
|
0.000000000000000 0.3328662487156495
|
|
0.1135206432382765E-01 0.3328659607534073
|
|
0.2270412864765531E-01 0.3328650631723961
|
|
0.3405619297148296E-01 0.3328635670944928
|
|
0.4540825729531062E-01 0.3328614724915026
|
|
0.5676032161913827E-01 0.3328587792406743
|
|
0.6811238594296593E-01 0.3328554870613648
|
|
0.7946445026679358E-01 0.3328515954357800
|
|
0.9081651459062123E-01 0.3328471035044596
|
|
0.1021685789144489 0.3328420099458482
|
|
0.1135206432382765 0.3328363128465847
|
|
0.1248727075621042 0.3328300095243661
|
|
0.1362247718859319 0.3328230963716463
|
|
0.1475768362097595 0.3328155686651509
|
|
0.1589289005335872 0.3328074203362801
|
|
0.1702809648574148 0.3327986437786719
|
|
0.1816330291812425 0.3327892295952427
|
|
0.1929850935050701 0.3327791663422406
|
|
0.2043371578288978 0.3327684402738559
|
|
0.2156892221527254 0.3327570350485970
|
|
0.2270412864765531 0.3327449314497280
|
|
0.2383933508003807 0.3327321070720470
|
|
0.2497454151242084 0.3327185360092620
|
|
0.2610974794480361 0.3327041885349750
|
|
0.2724495437718637 0.3326890307530251
|
|
0.2838016080956913 0.3326730242718297
|
|
0.2951536724195190 0.3326561258354588
|
|
0.3065057367433467 0.3326382869810470
|
|
0.3178578010671743 0.3326194536640193
|
|
0.3292098653910019 0.3325995658956540
|
|
0.3405619297148296 0.3325785573688649
|
|
0.3519139940386573 0.3325563550917684
|
|
0.3632660583624849 0.3325328789969448
|
|
0.3746181226863126 0.3325080415764538
|
|
0.3859701870101402 0.3324817475078385
|
|
0.3973222513339679 0.3324538932723536
|
|
0.4086743156577956 0.3324243667898781
|
|
0.4200263799816232 0.3323930470541513
|
|
0.4313784443054509 0.3323598037698341
|
|
0.4427305086292785 0.3323244970033081
|
|
0.4540825729531062 0.3322869768301346
|
|
0.4654346372769338 0.3322470830110236
|
|
0.4767867016007615 0.3322046446557214
|
|
0.4881387659245892 0.3321594799173539
|
|
0.4994908302484168 0.3321113956880321
|
|
0.5108428945722444 0.3320601873223707
|
|
0.5221949588960721 0.3320056383608276
|
|
0.5335470232198998 0.3319475202831900
|
|
0.5448990875437274 0.3318855922760773
|
|
0.5562511518675550 0.3318196010236432
|
|
0.5676032161913827 0.3317492805111860
|
|
0.5789552805152104 0.3316743518681470
|
|
0.5903073448390380 0.3315945232157322
|
|
0.6016594091628656 0.3315094895591060
|
|
0.6130114734866934 0.3314189326901193
|
|
0.6243635378105210 0.3313225211322631
|
|
0.6357156021343486 0.3312199101077785
|
|
0.6470676664581763 0.3311107415381892
|
|
0.6584197307820039 0.3309946440737425
|
|
0.6697717951058316 0.3308712331653400
|
|
0.6811238594296593 0.3307401111596435
|
|
0.6924759237534869 0.3306008674397007
|
|
0.7038279880773146 0.3304530786010486
|
|
0.7151800524011422 0.3302963086560441
|
|
0.7265321167249699 0.3301301092963429
|
|
0.7378841810487975 0.3299540201779901
|
|
0.7492362453726251 0.3297675692557137
|
|
0.7605883096964529 0.3295702731591961
|
|
0.7719403740202805 0.3293616376107493
|
|
0.7832924383441081 0.3291411578840031
|
|
0.7946445026679358 0.3289083193106170
|
|
0.8059965669917635 0.3286625978284796
|
|
0.8173486313155911 0.3284034605738880
|
|
0.8287006956394187 0.3281303665208980
|
|
0.8400527599632464 0.3278427671621876
|
|
0.8514048242870741 0.3275401072367258
|
|
0.8627568886109017 0.3272218255031693
|
|
0.8741089529347293 0.3268873555518419
|
|
0.8854610172585571 0.3265361266654944
|
|
0.8968130815823847 0.3261675647200291
|
|
0.9081651459062123 0.3257810931280038
|
|
0.9195172102300400 0.3253761338234338
|
|
0.9308692745538676 0.3249521082826027
|
|
0.9422213388776953 0.3245084385893203
|
|
0.9535734032015230 0.3240445485292083
|
|
0.9649254675253506 0.3235598647232660
|
|
0.9762775318491783 0.3230538177942023
|
|
0.9876295961730059 0.3225258435584147
|
|
0.9989816604968336 0.3219753842535562
|
|
1.010333724820661 0.3214018897824128
|
|
1.021685789144489 0.3208048189769626
|
|
1.033037853468316 0.3201836409190320
|
|
1.044389917792144 0.3195378361932256
|
|
1.055741982115972 0.3188668982570153
|
|
1.067094046439800 0.3181703347398954
|
|
1.078446110763627 0.3174476687787979
|
|
1.089798175087455 0.3166984403594368
|
|
1.101150239411282 0.3159222076443972
|
|
1.112502303735110 0.3151185483048797
|
|
1.123854368058938 0.3142870608072839
|
|
1.135206432382765 0.3134273657377531
|
|
1.146558496706593 0.3125391070717954
|
|
1.157910561030421 0.3116219534176868
|
|
1.169262625354248 0.3106755992406882
|
|
1.180614689678076 0.3096997660469658
|
|
1.191966754001904 0.3086942035371106
|
|
1.203318818325731 0.3076586907041087
|
|
1.214670882649559 0.3065930368818055
|
|
1.226022946973387 0.3054970827433954
|
|
1.237375011297214 0.3043707012515577
|
|
1.248727075621042 0.3032137985267358
|
|
1.260079139944870 0.3020263146541245
|
|
1.271431204268697 0.3008082244352612
|
|
1.282783268592525 0.2995595380308055
|
|
1.294135332916353 0.2982803015455842
|
|
1.305487397240180 0.2969705975396793
|
|
1.316839461564008 0.2956305454250504
|
|
1.328191525887836 0.2942603017887850
|
|
1.339543590211663 0.2928600606205247
|
|
1.350895654535491 0.2914300534411749
|
|
1.362247718859319 0.2899705493382117
|
|
1.373599783183146 0.2884818548988743
|
|
1.384951847506974 0.2869643140389347
|
|
1.396303911830801 0.2854183077346750
|
|
1.407655976154629 0.2838442536490985
|
|
1.419008040478457 0.2822426056518597
|
|
1.430360104802284 0.2806138532407649
|
|
1.441712169126112 0.2789585208595107
|
|
1.453064233449940 0.2772771671151901
|
|
1.464416297773767 0.2755703838908327
|
|
1.475768362097595 0.2738387953614981
|
|
1.487120426421423 0.2720830569208830
|
|
1.498472490745250 0.2703038540103396
|
|
1.509824555069078 0.2685019008542565
|
|
1.521176619392906 0.2666779391172670
|
|
1.532528683716733 0.2648327364763393
|
|
1.543880748040561 0.2629670851117922
|
|
1.555232812364389 0.2610818001290797
|
|
1.566584876688216 0.2591777179152007
|
|
1.577936941012044 0.2572556944281325
|
|
1.589289005335872 0.2553166034313931
|
|
1.600641069659699 0.2533613346802348
|
|
1.611993133983527 0.2513907920614963
|
|
1.623345198307355 0.2494058916929848
|
|
1.634697262631182 0.2474075599955198
|
|
1.646049326955010 0.2453967317428786
|
|
1.657401391278837 0.2433743480882123
|
|
1.668753455602665 0.2413413545821680
|
|
1.680105519926493 0.2392986991883662
|
|
1.691457584250321 0.2372473303018436
|
|
1.702809648574148 0.2351881947778782
|
|
1.714161712897976 0.2331222359787374
|
|
1.725513777221803 0.2310503918447202
|
|
1.736865841545631 0.2289735929970028
|
|
1.748217905869459 0.2268927608788238
|
|
1.759569970193286 0.2248088059414843
|
|
1.770922034517114 0.2227226258816773
|
|
1.782274098840942 0.2206351039368702
|
|
1.793626163164769 0.2185471072444116
|
|
1.804978227488597 0.2164594852743904
|
|
1.816330291812425 0.2143730683194322
|
|
1.827682356136252 0.2122886660845995
|
|
1.839034420460080 0.2102070664709422
|
|
1.850386484783908 0.2081290341128660
|
|
1.861738549107735 0.2060553093189785
|
|
1.873090613431563 0.2039866070587952
|
|
1.884442677755391 0.2019236167297090
|
|
1.895794742079218 0.1998670009305648
|
|
1.907146806403046 0.1978173933136842
|
|
1.918498870726874 0.1957753984636870
|
|
1.929850935050701 0.1937415930353227
|
|
1.941202999374529 0.1917165250643733
|
|
1.952555063698357 0.1897007128264412
|
|
1.963907128022184 0.1876946450025840
|
|
1.975259192346012 0.1856987809875876
|
|
1.986611256669840 0.1837135509560234
|
|
1.997963320993667 0.1817393561732416
|
|
2.009315385317495 0.1797765694914606
|
|
2.020667449641322 0.1778255359638927
|
|
2.032019513965150 0.1758865736200098
|
|
2.043371578288978 0.1739599743695769
|
|
2.054723642612805 0.1720460050727575
|
|
2.066075706936633 0.1701449088210801
|
|
2.077427771260461 0.1682569061847223
|
|
2.088779835584289 0.1663821969208783
|
|
2.100131899908116 0.1645209617082306
|
|
2.111483964231944 0.1626733634416502
|
|
2.122836028555771 0.1608395501588974
|
|
2.134188092879599 0.1590196561068646
|
|
2.145540157203427 0.1572138031787135
|
|
2.156892221527254 0.1554221007410912
|
|
2.168244285851082 0.1536446467742660
|
|
2.179596350174910 0.1518815282541546
|
|
2.190948414498737 0.1501328215461676
|
|
2.202300478822565 0.1483985930563338
|
|
2.213652543146392 0.1466788996311248
|
|
2.225004607470220 0.1449737890122099
|
|
2.236356671794048 0.1432833002839476
|
|
2.247708736117875 0.1416074642812716
|
|
2.259060800441703 0.1399463039806969
|
|
2.270412864765531 0.1382998348824490
|
|
2.281764929089359 0.1366680653719766
|
|
2.293116993413186 0.1350509970735934
|
|
2.304469057737014 0.1334486251830347
|
|
2.315821122060842 0.1318609387857309
|
|
2.327173186384669 0.1302879211643892
|
|
2.338525250708497 0.1287295500922562
|
|
2.349877315032324 0.1271857981152436
|
|
2.361229379356152 0.1256566328212626
|
|
2.372581443679980 0.1241420170986380
|
|
2.383933508003807 0.1226419093836729
|
|
2.395285572327635 0.1211562638977820
|
|
2.406637636651463 0.1196850308747315
|
|
2.417989700975290 0.1182281567782140
|
|
2.429341765299118 0.1167855845104165
|
|
2.440693829622945 0.1153572536116791
|
|
2.452045893946774 0.1139431004518005
|
|
2.463397958270601 0.1125430584131484
|
|
2.474750022594429 0.1111570580661460
|
|
2.486102086918256 0.1097850273371066
|
|
2.497454151242084 0.1084268916693982
|
|
2.508806215565912 0.1070825741772080
|
|
2.520158279889739 0.1057519957932274
|
|
2.531510344213567 0.1044350754093279
|
|
2.542862408537395 0.1031317300110879
|
|
2.554214472861222 0.1018418748086074
|
|
2.565566537185050 0.1005654233591683
|
|
2.576918601508877 0.9930228768709375E-01
|
|
2.588270665832705 0.9805237839406519E-01
|
|
2.599622730156533 0.9681560476905497E-01
|
|
2.610974794480360 0.9559187488949325E-01
|
|
2.622326858804188 0.9438109572439358E-01
|
|
2.633678923128016 0.9318317322625259E-01
|
|
2.645030987451844 0.9199801242468665E-01
|
|
2.656383051775671 0.9082551750693800E-01
|
|
2.667735116099499 0.8966559190419950E-01
|
|
2.679087180423326 0.8851813836756600E-01
|
|
2.690439244747154 0.8738305904896670E-01
|
|
2.701791309070982 0.8626025557073451E-01
|
|
2.713143373394809 0.8514962909290152E-01
|
|
2.724495437718637 0.8405108038243861E-01
|
|
2.735847502042465 0.8296450987068613E-01
|
|
2.747199566366292 0.8188981772097630E-01
|
|
2.758551630690120 0.8082690386630778E-01
|
|
2.769903695013948 0.7977566807600897E-01
|
|
2.781255759337775 0.7873600999573770E-01
|
|
2.792607823661603 0.7770782921784615E-01
|
|
2.803959887985430 0.7669102531668259E-01
|
|
2.815311952309258 0.7568549789883126E-01
|
|
2.826664016633086 0.7469114664045613E-01
|
|
2.838016080956914 0.7370787132906180E-01
|
|
2.849368145280741 0.7273557190522827E-01
|
|
2.860720209604569 0.7177414848897797E-01
|
|
2.872072273928397 0.7082350142013584E-01
|
|
2.883424338252224 0.6988353128402028E-01
|
|
2.894776402576052 0.6895413895258311E-01
|
|
2.906128466899879 0.6803522560708340E-01
|
|
2.917480531223707 0.6712669277281416E-01
|
|
2.928832595547535 0.6622844233593859E-01
|
|
2.940184659871362 0.6534037657262411E-01
|
|
2.951536724195190 0.6446239817601707E-01
|
|
2.962888788519018 0.6359441027229848E-01
|
|
2.974240852842845 0.6273631644552236E-01
|
|
2.985592917166673 0.6188802077017388E-01
|
|
2.996944981490500 0.6104942776096702E-01
|
|
3.008297045814329 0.6022044251907428E-01
|
|
3.019649110138156 0.5940097061229178E-01
|
|
3.031001174461984 0.5859091831312813E-01
|
|
3.042353238785811 0.5779019222089466E-01
|
|
3.053705303109639 0.5699869955423195E-01
|
|
3.065057367433467 0.5621634784775465E-01
|
|
3.076409431757294 0.5544304542426892E-01
|
|
3.087761496081122 0.5467870118723437E-01
|
|
3.099113560404950 0.5392322466610187E-01
|
|
3.110465624728777 0.5317652615828877E-01
|
|
3.121817689052605 0.5243851649758668E-01
|
|
3.133169753376432 0.5170910721439478E-01
|
|
3.144521817700260 0.5098821048528176E-01
|
|
3.155873882024088 0.5027573917181571E-01
|
|
3.167225946347915 0.4957160680450822E-01
|
|
3.178578010671743 0.4887572759179579E-01
|
|
3.189930074995571 0.4818801641761605E-01
|
|
3.201282139319399 0.4750838885601186E-01
|
|
3.212634203643226 0.4683676116667776E-01
|
|
3.223986267967054 0.4617305029896039E-01
|
|
3.235338332290882 0.4551717389418802E-01
|
|
3.246690396614709 0.4486905028718555E-01
|
|
3.258042460938537 0.4422859850737521E-01
|
|
3.269394525262364 0.4359573828075793E-01
|
|
3.280746589586192 0.4297039002852832E-01
|
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3.292098653910020 0.4235247486888788E-01
|
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3.303450718233847 0.4174191461568434E-01
|
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3.314802782557675 0.4113863177997739E-01
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3.326154846881503 0.4054254956855807E-01
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3.337506911205330 0.3995359188331769E-01
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3.348858975529158 0.3937168332075925E-01
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3.360211039852985 0.3879674916990561E-01
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3.371563104176813 0.3822871541137595E-01
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3.382915168500641 0.3766750871564371E-01
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3.394267232824469 0.3711305644101787E-01
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3.405619297148296 0.3656528663190783E-01
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3.416971361472124 0.3602412801639279E-01
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3.428323425795952 0.3548951000392381E-01
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3.439675490119779 0.3496136268269115E-01
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3.451027554443607 0.3443961681695560E-01
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3.462379618767434 0.3392420384419072E-01
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3.473731683091262 0.3341505587204260E-01
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3.485083747415090 0.3291210567527081E-01
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3.496435811738917 0.3241528669245253E-01
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3.507787876062745 0.3192453302261300E-01
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3.519139940386573 0.3143977942176879E-01
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3.530492004710400 0.3096096129929073E-01
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3.541844069034228 0.3048801471424390E-01
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3.553196133358056 0.3002087637160452E-01
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3.564548197681884 0.2955948361836854E-01
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3.575900262005711 0.2910377443964032E-01
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3.587252326329539 0.2865368745458145E-01
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3.598604390653366 0.2820916191232171E-01
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3.609956454977194 0.2777013768777426E-01
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3.621308519301022 0.2733655527744105E-01
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3.632660583624849 0.2690835579510509E-01
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3.644012647948677 0.2648548096748972E-01
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3.655364712272505 0.2606787312989483E-01
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3.666716776596332 0.2565547522171615E-01
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3.678068840920160 0.2524823078199772E-01
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3.689420905243987 0.2484608394491680E-01
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3.700772969567815 0.2444897943520794E-01
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3.712125033891643 0.2405686256363158E-01
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3.723477098215470 0.2366967922233695E-01
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3.734829162539298 0.2328737588024075E-01
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3.746181226863126 0.2290989957835900E-01
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3.757533291186954 0.2253719792515922E-01
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3.768885355510781 0.2216921909185552E-01
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3.780237419834609 0.2180591180770312E-01
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3.791589484158437 0.2144722535531027E-01
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3.802941548482264 0.2109310956587120E-01
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3.814293612806092 0.2074351481446328E-01
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3.825645677129919 0.2039839201531503E-01
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3.836997741453747 0.2005769261703473E-01
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3.848349805777575 0.1972136859793095E-01
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3.859701870101402 0.1938937246124399E-01
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3.871053934425230 0.1906165723042237E-01
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3.882405998749058 0.1873817644439770E-01
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3.893758063072885 0.1841888415286388E-01
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3.905110127396713 0.1810373491156660E-01
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3.916462191720541 0.1779268377760154E-01
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3.927814256044369 0.1748568630472405E-01
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3.939166320368196 0.1718269853866944E-01
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3.950518384692024 0.1688367701249129E-01
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3.961870449015851 0.1658857874191037E-01
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3.973222513339679 0.1629736122068053E-01
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3.984574577663507 0.1600998241597876E-01
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3.995926641987334 0.1572640076379838E-01
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4.007278706311162 0.1544657516437696E-01
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4.018630770634990 0.1517046497764821E-01
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4.029982834958817 0.1489803001865962E-01
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4.041334899282645 0.1462923055312833E-01
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4.052686963606472 0.1436402729290787E-01
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4.064039027930300 0.1410238139152840E-01
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4.075391092254128 0.1384425443974135E-01
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4.086743156577955 0.1358960846114717E-01
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4.098095220901783 0.1333840590772153E-01
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4.109447285225611 0.1309060965549677E-01
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4.120799349549438 0.1284618300021997E-01
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4.132151413873266 0.1260508965298756E-01
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4.143503478197093 0.1236729373603571E-01
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4.154855542520921 0.1213275977843494E-01
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4.166207606844749 0.1190145271186967E-01
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4.177559671168577 0.1167333786643171E-01
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4.188911735492405 0.1144838096646700E-01
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4.200263799816232 0.1122654812639999E-01
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4.211615864140060 0.1100780584663984E-01
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4.222967928463888 0.1079212100949597E-01
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4.234319992787715 0.1057946087510700E-01
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4.245672057111543 0.1036979307744353E-01
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4.257024121435371 0.1016308562030052E-01
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4.268376185759198 0.9959306873339071E-02
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4.279728250083026 0.9758425568152878E-02
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4.291080314406853 0.9560410794382563E-02
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4.302432378730681 0.9365231995826742E-02
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4.313784443054509 0.9172858966618685E-02
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4.325136507378336 0.8983261847418779E-02
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4.336488571702164 0.8796411121648303E-02
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4.347840636025992 0.8612277611718769E-02
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4.359192700349819 0.8430832475369847E-02
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4.370544764673647 0.8252047201961829E-02
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4.381896828997474 0.8075893608836775E-02
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4.393248893321302 0.7902343837699392E-02
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4.404600957645130 0.7731370351057933E-02
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4.415953021968957 0.7562945928636028E-02
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4.427305086292785 0.7397043663878694E-02
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4.438657150616613 0.7233636960459867E-02
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4.450009214940440 0.7072699528831658E-02
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4.461361279264268 0.6914205382782378E-02
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4.472713343588095 0.6758128836076383E-02
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4.484065407911923 0.6604444499073558E-02
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4.495417472235751 0.6453127275405574E-02
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4.506769536559578 0.6304152358680140E-02
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4.518121600883406 0.6157495229213428E-02
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4.529473665207234 0.6013131650796615E-02
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4.540825729531061 0.5871037667492149E-02
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4.552177793854890 0.5731189600461218E-02
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4.563529858178717 0.5593564044821946E-02
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4.574881922502545 0.5458137866538506E-02
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4.586233986826373 0.5324888199340619E-02
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4.597586051150200 0.5193792441673594E-02
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4.608938115474028 0.5064828253678906E-02
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4.620290179797856 0.4937973554203576E-02
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4.631642244121683 0.4813206517842321E-02
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4.642994308445511 0.4690505572006905E-02
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4.654346372769338 0.4569849394026391E-02
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4.665698437093166 0.4451216908276706E-02
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4.677050501416994 0.4334587283341472E-02
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4.688402565740821 0.4219939929191439E-02
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4.699754630064649 0.4107254494415593E-02
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4.711106694388477 0.3996510863457703E-02
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4.722458758712304 0.3887689153892967E-02
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4.733810823036132 0.3780769713729361E-02
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4.745162887359959 0.3675733118745165E-02
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4.756514951683787 0.3572560169837736E-02
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4.767867016007615 0.3471231890417152E-02
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4.779219080331442 0.3371729523819251E-02
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4.790571144655270 0.3274034530750368E-02
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4.801923208979098 0.3178128586745261E-02
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4.813275273302925 0.3083993579681321E-02
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4.824627337626753 0.2991611607290521E-02
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4.835979401950580 0.2900964974711936E-02
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4.847331466274408 0.2812036192065092E-02
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4.858683530598236 0.2724807972065103E-02
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4.870035594922063 0.2639263227632250E-02
|
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4.881387659245891 0.2555385069558203E-02
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4.892739723569719 0.2473156804183444E-02
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4.904091787893547 0.2392561931102798E-02
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4.915443852217375 0.2313584140900196E-02
|
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4.926795916541202 0.2236207312886841E-02
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4.938147980865030 0.2160415512909931E-02
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4.949500045188858 0.2086192991139299E-02
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4.960852109512685 0.2013524179901263E-02
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4.972204173836513 0.1942393691529847E-02
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4.983556238160340 0.1872786316254310E-02
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4.994908302484168 0.1804687020084872E-02
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5.006260366807996 0.1738080942747178E-02
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5.017612431131823 0.1672953395628020E-02
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5.028964495455651 0.1609289859746397E-02
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5.040316559779479 0.1547075983747870E-02
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5.051668624103306 0.1486297581919473E-02
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5.063020688427134 0.1426940632231582E-02
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5.074372752750961 0.1368991274397465E-02
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5.085724817074789 0.1312435807957150E-02
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5.097076881398617 0.1257260690384479E-02
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5.108428945722444 0.1203452535206475E-02
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5.119781010046272 0.1150998110163154E-02
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5.131133074370100 0.1099884335369804E-02
|
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5.142485138693927 0.1050098281509178E-02
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5.153837203017755 0.1001627168042802E-02
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5.165189267341582 0.9544583614418161E-03
|
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5.176541331665410 0.9085793734438502E-03
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5.187893395989238 0.8639778593182657E-03
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5.199245460313065 0.8206416161632932E-03
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5.210597524636893 0.7785585812171568E-03
|
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5.221949588960721 0.7377168301898976E-03
|
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5.233301653284548 0.6981045756151742E-03
|
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5.244653717608376 0.6597101652181176E-03
|
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5.256005781932203 0.6225220803088515E-03
|
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5.267357846256031 0.5865289341879921E-03
|
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5.278709910579860 0.5517194705741364E-03
|
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5.290061974903687 0.5180825620487244E-03
|
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5.301414039227515 0.4856072085211985E-03
|
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5.312766103551342 0.4542825357079914E-03
|
|
5.324118167875170 0.4240977936334962E-03
|
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5.335470232198998 0.3950423551467400E-03
|
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5.346822296522825 0.3671057144559046E-03
|
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5.358174360846653 0.3402774856813277E-03
|
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5.369526425170481 0.3145474014194277E-03
|
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5.380878489494308 0.2899053113361436E-03
|
|
5.392230553818136 0.2663411807646938E-03
|
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5.403582618141964 0.2438450893258301E-03
|
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5.414934682465791 0.2224072295633516E-03
|
|
5.426286746789619 0.2020179055928834E-03
|
|
5.437638811113446 0.1826675317819619E-03
|
|
5.448990875437274 0.1643466314147734E-03
|
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5.460342939761102 0.1470458354034747E-03
|
|
5.471695004084929 0.1307558810001843E-03
|
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5.483047068408757 0.1154676105271230E-03
|
|
5.494399132732585 0.1011719700003098E-03
|
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5.505751197056412 0.8786000839693479E-04
|
|
5.517103261380240 0.7552287567019509E-04
|
|
5.528455325704067 0.6415182201831646E-04
|
|
5.539807390027895 0.5373819657793319E-04
|
|
5.551159454351723 0.4427344624350881E-04
|
|
5.562511518675550 0.3574910910527068E-04
|
|
5.573863582999378 0.2815683532806160E-04
|
|
5.585215647323206 0.2148835393447520E-04
|
|
5.596567711647033 0.1573549141993336E-04
|
|
5.607919775970861 0.1089016600585383E-04
|
|
5.619271840294688 0.6944386417335010E-05
|
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5.630623904618517 0.3889951955285800E-05
|
|
5.641975968942345 0.1719622082004827E-05
|
|
5.653328033266172 0.4254987930090606E-06
|
|
5.664680097590000 0.000000000000000
|
|
2 4 1 1 0.000000 #orbital l, n, z, is_polarized, population
|
|
500 0.1871649061966385E-01 9.339528819212264 # npts, delta, cutoff
|
|
0.000000000000000 0.2286757726914481
|
|
0.1871649061966385E-01 0.2171392476703148
|
|
0.3743298123932771E-01 0.2116498303616320
|
|
0.5614947185899156E-01 0.2074270346011922
|
|
0.7486596247865542E-01 0.2038627405193064
|
|
0.9358245309831927E-01 0.2007199098580308
|
|
0.1122989437179831 0.1978766281262166
|
|
0.1310154343376470 0.1952603517466071
|
|
0.1497319249573108 0.1928237613323716
|
|
0.1684484155769747 0.1905339600673475
|
|
0.1871649061966385 0.1883669770205543
|
|
0.2058813968163024 0.1863047007095620
|
|
0.2245978874359663 0.1843330457302396
|
|
0.2433143780556301 0.1824407954453056
|
|
0.2620308686752940 0.1806188387461343
|
|
0.2807473592949578 0.1788596481226131
|
|
0.2994638499146217 0.1771569117871480
|
|
0.3181803405342855 0.1755052674990110
|
|
0.3368968311539494 0.1739001056457851
|
|
0.3556133217736132 0.1723374206624731
|
|
0.3743298123932771 0.1708136969717769
|
|
0.3930463030129409 0.1693258200810178
|
|
0.4117627936326048 0.1678710063347673
|
|
0.4304792842522686 0.1664467467507396
|
|
0.4491957748719325 0.1650507616121811
|
|
0.4679122654915964 0.1636809634215215
|
|
0.4866287561112602 0.1623354264215748
|
|
0.5053452467309241 0.1610123613447952
|
|
0.5240617373505879 0.1597100943714710
|
|
0.5427782279702518 0.1584270495062046
|
|
0.5614947185899156 0.1571617337833481
|
|
0.5802112092095795 0.1559127248115472
|
|
0.5989276998292433 0.1546786602922043
|
|
0.6176441904489072 0.1534582292111882
|
|
0.6363606810685710 0.1522501644670450
|
|
0.6550771716882349 0.1510532367455083
|
|
0.6737936623078987 0.1498662494792451
|
|
0.6925101529275626 0.1486880347676932
|
|
0.7112266435472264 0.1475174501564577
|
|
0.7299431341668903 0.1463533761727544
|
|
0.7486596247865541 0.1451947145629560
|
|
0.7673761154062180 0.1440403871492092
|
|
0.7860926060258818 0.1428893352629936
|
|
0.8048090966455457 0.1417405197008627
|
|
0.8235255872652095 0.1405929211590277
|
|
0.8422420778848734 0.1394455411085251
|
|
0.8609585685045372 0.1382974030717161
|
|
0.8796750591242011 0.1371475542672889
|
|
0.8983915497438650 0.1359950675828498
|
|
0.9171080403635289 0.1348390438477599
|
|
0.9358245309831927 0.1336786143682868
|
|
0.9545410216028566 0.1325129436910945
|
|
0.9732575122225204 0.1313412325566609
|
|
0.9919740028421843 0.1301627210117969
|
|
1.010690493461848 0.1289766916418628
|
|
1.029406984081512 0.1277824728707428
|
|
1.048123474701176 0.1265794423228260
|
|
1.066839965320840 0.1253670301627362
|
|
1.085556455940504 0.1241447223975772
|
|
1.104272946560167 0.1229120641034069
|
|
1.122989437179831 0.1216686625201596
|
|
1.141705927799495 0.1204141899532313
|
|
1.160422418419159 0.1191483865054141
|
|
1.179138909038823 0.1178710625106256
|
|
1.197855399658487 0.1165821006971873
|
|
1.216571890278151 0.1152814580123391
|
|
1.235288380897814 0.1139691670602099
|
|
1.254004871517478 0.1126453371605517
|
|
1.272721362137142 0.1113101549501263
|
|
1.291437852756806 0.1099638845317746
|
|
1.310154343376470 0.1086068671337674
|
|
1.328870833996134 0.1072395202745372
|
|
1.347587324615797 0.1058623364017527
|
|
1.366303815235461 0.1044758810151189
|
|
1.385020305855125 0.1030807902685568
|
|
1.403736796474789 0.1016777680485918
|
|
1.422453287094453 0.1002675825495667
|
|
1.441169777714117 0.9885106235365362E-01
|
|
1.459886268333781 0.9742909205258152E-01
|
|
1.478602758953445 0.9600260742174693E-01
|
|
1.497319249573108 0.9457259019756721E-01
|
|
1.516035740192772 0.9314006249091987E-01
|
|
1.534752230812436 0.9170608088303157E-01
|
|
1.553468721432100 0.9027173025018878E-01
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6.999967491754282 0.4764259280083353E-03
|
|
7.018683982373945 0.4680769062246510E-03
|
|
7.037400472993609 0.4598571732905702E-03
|
|
7.056116963613273 0.4517645878190019E-03
|
|
7.074833454232937 0.4437970457718468E-03
|
|
7.093549944852601 0.4359524797544591E-03
|
|
7.112266435472264 0.4282288583230316E-03
|
|
7.130982926091928 0.4206241853071192E-03
|
|
7.149699416711592 0.4131364991454619E-03
|
|
7.168415907331256 0.4057638722385438E-03
|
|
7.187132397950920 0.3985044103080900E-03
|
|
7.205848888570584 0.3913562517761425E-03
|
|
7.224565379190247 0.3843175671538328E-03
|
|
7.243281869809912 0.3773865584433515E-03
|
|
7.261998360429575 0.3705614585516014E-03
|
|
7.280714851049239 0.3638405307169983E-03
|
|
7.299431341668903 0.3572220679467445E-03
|
|
7.318147832288567 0.3507043924661248E-03
|
|
7.336864322908231 0.3442858551784308E-03
|
|
7.355580813527895 0.3379648351381967E-03
|
|
7.374297304147558 0.3317397390299273E-03
|
|
7.393013794767223 0.3256090006626550E-03
|
|
7.411730285386886 0.3195710804720276E-03
|
|
7.430446776006550 0.3136244650331090E-03
|
|
7.449163266626214 0.3077676665825306E-03
|
|
7.467879757245877 0.3019992225506104E-03
|
|
7.486596247865542 0.2963176951026287E-03
|
|
7.505312738485205 0.2907216706889794E-03
|
|
7.524029229104869 0.2852097596058262E-03
|
|
7.542745719724533 0.2797805955613425E-03
|
|
7.561462210344197 0.2744328352535414E-03
|
|
7.580178700963860 0.2691651579550772E-03
|
|
7.598895191583525 0.2639762651064842E-03
|
|
7.617611682203188 0.2588648799172211E-03
|
|
7.636328172822853 0.2538297469756710E-03
|
|
7.655044663442516 0.2488696318643619E-03
|
|
7.673761154062180 0.2439833207852229E-03
|
|
7.692477644681844 0.2391696201909188E-03
|
|
7.711194135301508 0.2344273564234315E-03
|
|
7.729910625921171 0.2297553753606256E-03
|
|
7.748627116540836 0.2251525420676195E-03
|
|
7.767343607160499 0.2206177404570096E-03
|
|
7.786060097780164 0.2161498729546257E-03
|
|
7.804776588399827 0.2117478601717452E-03
|
|
7.823493079019491 0.2074106405846174E-03
|
|
7.842209569639155 0.2031371702180205E-03
|
|
7.860926060258818 0.1989264223370254E-03
|
|
7.879642550878483 0.1947773871436114E-03
|
|
7.898359041498146 0.1906890714789942E-03
|
|
7.917075532117810 0.1866604985330866E-03
|
|
7.935792022737474 0.1826907075564488E-03
|
|
7.954508513357138 0.1787787535807113E-03
|
|
7.973225003976801 0.1749237071428555E-03
|
|
7.991941494596466 0.1711246540147955E-03
|
|
8.010657985216129 0.1673806949389665E-03
|
|
8.029374475835793 0.1636909453670533E-03
|
|
8.048090966455456 0.1600545352054071E-03
|
|
8.066807457075122 0.1564706085644001E-03
|
|
8.085523947694785 0.1529383235126228E-03
|
|
8.104240438314449 0.1494568518354803E-03
|
|
8.122956928934112 0.1460253787992845E-03
|
|
8.141673419553776 0.1426431029176298E-03
|
|
8.160389910173441 0.1393092357242367E-03
|
|
8.179106400793104 0.1360230015489602E-03
|
|
8.197822891412768 0.1327836372978705E-03
|
|
8.216539382032432 0.1295903922387848E-03
|
|
8.235255872652095 0.1264425277878987E-03
|
|
8.253972363271760 0.1233393173031480E-03
|
|
8.272688853891424 0.1202800458800274E-03
|
|
8.291405344511087 0.1172640101513968E-03
|
|
8.310121835130751 0.1142905180908291E-03
|
|
8.328838325750414 0.1113588888201924E-03
|
|
8.347554816370078 0.1084684524193705E-03
|
|
8.366271306989743 0.1056185497408337E-03
|
|
8.384987797609407 0.1028085322268931E-03
|
|
8.403704288229070 0.1000377617301305E-03
|
|
8.422420778848734 0.9730561033844462E-04
|
|
8.441137269468397 0.9461146020047519E-04
|
|
8.459853760088063 0.9195470335690022E-04
|
|
8.478570250707726 0.8933474157347669E-04
|
|
8.497286741327390 0.8675098617731851E-04
|
|
8.516003231947053 0.8420285789598112E-04
|
|
8.534719722566717 0.8168978670012469E-04
|
|
8.553436213186382 0.7921121164753759E-04
|
|
8.572152703806045 0.7676658073140062E-04
|
|
8.590869194425709 0.7435535073054518E-04
|
|
8.609585685045372 0.7197698706251089E-04
|
|
8.628302175665036 0.6963096363899932E-04
|
|
8.647018666284701 0.6731676272503229E-04
|
|
8.665735156904365 0.6503387479819176E-04
|
|
8.684451647524028 0.6278179841280872E-04
|
|
8.703168138143692 0.6056004006533569E-04
|
|
8.721884628763355 0.5836811406219232E-04
|
|
8.740601119383019 0.5620554239062173E-04
|
|
8.759317610002684 0.5407185459043748E-04
|
|
8.778034100622348 0.5196658762936401E-04
|
|
8.796750591242011 0.4988928577992562E-04
|
|
8.815467081861675 0.4783950049860862E-04
|
|
8.834183572481338 0.4581679027264722E-04
|
|
8.852900063101004 0.4382072064829755E-04
|
|
8.871616553720667 0.4185086389615938E-04
|
|
8.890333044340331 0.3990679903869684E-04
|
|
8.909049534959994 0.3798811170772924E-04
|
|
8.927766025579658 0.3609439403636706E-04
|
|
8.946482516199323 0.3422524458945048E-04
|
|
8.965199006818986 0.3238026810588585E-04
|
|
8.983915497438650 0.3055907563059165E-04
|
|
9.002631988058313 0.2876128426382814E-04
|
|
9.021348478677977 0.2698651709641007E-04
|
|
9.040064969297642 0.2523440311116010E-04
|
|
9.058781459917306 0.2350457696841180E-04
|
|
9.077497950536969 0.2179667939607864E-04
|
|
9.096214441156633 0.2011035636292414E-04
|
|
9.114930931776296 0.1844525944279875E-04
|
|
9.133647422395960 0.1680104561225842E-04
|
|
9.152363913015625 0.1517737715554142E-04
|
|
9.171080403635289 0.1357392124716720E-04
|
|
9.189796894254952 0.1199035117838192E-04
|
|
9.208513384874616 0.1042634434301027E-04
|
|
9.227229875494279 0.8881583328281656E-05
|
|
9.245946366113944 0.7355755546268682E-05
|
|
9.264662856733608 0.5848553136364497E-05
|
|
9.283379347353272 0.4359649036043782E-05
|
|
9.302095837972935 0.2888790294158357E-05
|
|
9.320812328592599 0.1435669011588605E-05
|
|
9.339528819212264 0.000000000000000
|
|
# KBs:__________________________
|
|
0 0.5 1 2.2538947674271759 #kb l, j, n (sequence number), Reference energy
|
|
500 0.6885313984208417E-02 3.435771678120000 # npts, delta, cutoff
|
|
0.000000000000000 1.775507643715843
|
|
0.6885313984208417E-02 1.775485272052938
|
|
0.1377062796841683E-01 1.775401641838003
|
|
0.2065594195262525E-01 1.775262241261201
|
|
0.2754125593683367E-01 1.775067044914507
|
|
0.3442656992104208E-01 1.774816017244601
|
|
0.4131188390525050E-01 1.774509112607692
|
|
0.4819719788945892E-01 1.774146275234441
|
|
0.5508251187366733E-01 1.773727439300131
|
|
0.6196782585787575E-01 1.773252528947769
|
|
0.6885313984208416E-01 1.772721458324908
|
|
0.7573845382629259E-01 1.772134131634110
|
|
0.8262376781050100E-01 1.771490443164657
|
|
0.8950908179470941E-01 1.770790277386860
|
|
0.9639439577891784E-01 1.770033508983210
|
|
0.1032797097631263 1.769220002903929
|
|
0.1101650237473347 1.768349614474889
|
|
0.1170503377315431 1.767422189458147
|
|
0.1239356517157515 1.766437564138929
|
|
0.1308209656999599 1.765395565382698
|
|
0.1377062796841683 1.764296010781112
|
|
0.1445915936683768 1.763138708717710
|
|
0.1514769076525852 1.761923458472566
|
|
0.1583622216367936 1.760650050343546
|
|
0.1652475356210020 1.759318265756949
|
|
0.1721328496052104 1.757927877385905
|
|
0.1790181635894188 1.756478649269802
|
|
0.1859034775736272 1.754970336957427
|
|
0.1927887915578357 1.753402687651315
|
|
0.1996741055420441 1.751775440310071
|
|
0.2065594195262525 1.750088325840940
|
|
0.2134447335104609 1.748341067228174
|
|
0.2203300474946693 1.746533379689310
|
|
0.2272153614788777 1.744664970845359
|
|
0.2341006754630862 1.742735540889616
|
|
0.2409859894472946 1.740744782752881
|
|
0.2478713034315030 1.738692382297852
|
|
0.2547566174157114 1.736578018488232
|
|
0.2616419313999198 1.734401363541070
|
|
0.2685272453841283 1.732162083213477
|
|
0.2754125593683366 1.729859836914521
|
|
0.2822978733525451 1.727494277947768
|
|
0.2891831873367535 1.725065053711674
|
|
0.2960685013209619 1.722571805923373
|
|
0.3029538153051703 1.720014170806222
|
|
0.3098391292893787 1.717391779353470
|
|
0.3167244432735872 1.714704257498881
|
|
0.3236097572577956 1.711951226414757
|
|
0.3304950712420040 1.709132302699804
|
|
0.3373803852262124 1.706247098652593
|
|
0.3442656992104208 1.703295222495162
|
|
0.3511510131946293 1.700276278607714
|
|
0.3580363271788377 1.697189867828336
|
|
0.3649216411630461 1.694035587676331
|
|
0.3718069551472545 1.690813032626186
|
|
0.3786922691314629 1.687521794348182
|
|
0.3855775831156714 1.684161462025426
|
|
0.3924628970998797 1.680731622589959
|
|
0.3993482110840882 1.677231861018436
|
|
0.4062335250682966 1.673661760616999
|
|
0.4131188390525050 1.670020903265659
|
|
0.4200041530367134 1.666308869749204
|
|
0.4268894670209218 1.662525240079043
|
|
0.4337747810051302 1.658669593673771
|
|
0.4406600949893387 1.654741509790579
|
|
0.4475454089735471 1.650740567726701
|
|
0.4544307229577555 1.646666347190923
|
|
0.4613160369419639 1.642518428570277
|
|
0.4682013509261723 1.638296393275426
|
|
0.4750866649103808 1.633999824010491
|
|
0.4819719788945891 1.629628305128735
|
|
0.4888572928787976 1.625181422950436
|
|
0.4957426068630060 1.620658766049505
|
|
0.5026279208472144 1.616059925620663
|
|
0.5095132348314229 1.611384495786387
|
|
0.5163985488156313 1.606632073960995
|
|
0.5232838627998396 1.601802261123993
|
|
0.5301691767840481 1.596894662197778
|
|
0.5370544907682565 1.591908886406152
|
|
0.5439398047524650 1.586844547563613
|
|
0.5508251187366733 1.581701264462713
|
|
0.5577104327208817 1.576478661229976
|
|
0.5645957467050902 1.571176367631052
|
|
0.5714810606892986 1.565794019458791
|
|
0.5783663746735070 1.560331258903715
|
|
0.5852516886577154 1.554787734875673
|
|
0.5921370026419238 1.549163103388364
|
|
0.5990223166261323 1.543457027941480
|
|
0.6059076306103407 1.537669179864298
|
|
0.6127929445945491 1.531799238713246
|
|
0.6196782585787575 1.525846892644035
|
|
0.6265635725629659 1.519811838780108
|
|
0.6334488865471744 1.513693783595877
|
|
0.6403342005313828 1.507492443341542
|
|
0.6472195145155911 1.501207544411811
|
|
0.6541048284997996 1.494838823747434
|
|
0.6609901424840080 1.488386029234835
|
|
0.6678754564682164 1.481848920112466
|
|
0.6747607704524249 1.475227267420831
|
|
0.6816460844366332 1.468520854368031
|
|
0.6885313984208417 1.461729476784463
|
|
0.6954167124050501 1.454852943558760
|
|
0.7023020263892585 1.447891077067545
|
|
0.7091873403734669 1.440843713610876
|
|
0.7160726543576753 1.433710703864880
|
|
0.7229579683418837 1.426491913350026
|
|
0.7298432823260922 1.419187222887622
|
|
0.7367285963103006 1.411796529068185
|
|
0.7436139102945090 1.404319744741103
|
|
0.7504992242787174 1.396756799497548
|
|
0.7573845382629258 1.389107640161462
|
|
0.7642698522471343 1.381372231296605
|
|
0.7711551662313427 1.373550555735508
|
|
0.7780404802155511 1.365642615085972
|
|
0.7849257941997595 1.357648430266685
|
|
0.7918111081839679 1.349568042061714
|
|
0.7986964221681764 1.341401511650120
|
|
0.8055817361523847 1.333148921187470
|
|
0.8124670501365931 1.324810374386002
|
|
0.8193523641208016 1.316385997088788
|
|
0.8262376781050100 1.307875937860840
|
|
0.8331229920892185 1.299280368597399
|
|
0.8400083060734268 1.290599485154758
|
|
0.8468936200576352 1.281833507975287
|
|
0.8537789340418437 1.272982682725981
|
|
0.8606642480260521 1.264047280937781
|
|
0.8675495620102605 1.255027600694525
|
|
0.8744348759944689 1.245923967315269
|
|
0.8813201899786773 1.236736734007555
|
|
0.8882055039628858 1.227466282590500
|
|
0.8950908179470942 1.218113024216118
|
|
0.9019761319313025 1.208677400069857
|
|
0.9088614459155110 1.199159882106417
|
|
0.9157467598997194 1.189560973814678
|
|
0.9226320738839279 1.179881210953169
|
|
0.9295173878681362 1.170121162310811
|
|
0.9364027018523446 1.160281430489896
|
|
0.9432880158365531 1.150362652686698
|
|
0.9501733298207615 1.140365501477066
|
|
0.9570586438049700 1.130290685611983
|
|
0.9639439577891783 1.120138950818089
|
|
0.9708292717733867 1.109911080601935
|
|
0.9777145857575952 1.099607897059526
|
|
0.9845998997418036 1.089230261694576
|
|
0.9914852137260119 1.078779076228716
|
|
0.9983705277102204 1.068255283387638
|
|
1.005255841694429 1.057659867745513
|
|
1.012141155678637 1.046993856543857
|
|
1.019026469662846 1.036258320432921
|
|
1.025911783647054 1.025454374251430
|
|
1.032797097631263 1.014583177879737
|
|
1.039682411615471 1.003645937001684
|
|
1.046567725599679 0.9926439037810720
|
|
1.053453039583888 0.9815783776042607
|
|
1.060338353568096 0.9704507058382650
|
|
1.067223667552305 0.9592622845020267
|
|
1.074108981536513 0.9480145589011366
|
|
1.080994295520721 0.9367090242568005
|
|
1.087879609504930 0.9253472262967128
|
|
1.094764923489138 0.9139307618039493
|
|
1.101650237473347 0.9024612791044934
|
|
1.108535551457555 0.8909404785596280
|
|
1.115420865441763 0.8793701129922475
|
|
1.122306179425972 0.8677519880053670
|
|
1.129191493410180 0.8560879622721774
|
|
1.136076807394389 0.8443799477640442
|
|
1.142962121378597 0.8326299099390919
|
|
1.149847435362806 0.8208398678252816
|
|
1.156732749347014 0.8090118940291990
|
|
1.163618063331223 0.7971481146695951
|
|
1.170503377315431 0.7852507092236748
|
|
1.177388691299639 0.7733219102796709
|
|
1.184274005283848 0.7613640031852951
|
|
1.191159319268056 0.7493793256090393
|
|
1.198044633252265 0.7373702670116317
|
|
1.204929947236473 0.7253392679931274
|
|
1.211815261220681 0.7132888195328783
|
|
1.218700575204890 0.7012214621206936
|
|
1.225585889189098 0.6891397847504876
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3.270524142498998 0.7100270754147413E-05
|
|
3.277409456483206 0.6577599436216619E-05
|
|
3.284294770467415 0.6086604345545648E-05
|
|
3.291180084451623 0.5625626221086414E-05
|
|
3.298065398435832 0.5193071210066980E-05
|
|
3.304950712420040 0.4787425424958512E-05
|
|
3.311836026404249 0.4407241650351904E-05
|
|
3.318721340388457 0.4051139441091536E-05
|
|
3.325606654372665 0.3717802708730814E-05
|
|
3.332491968356874 0.3405984718367229E-05
|
|
3.339377282341082 0.3114474928580908E-05
|
|
3.346262596325290 0.2842142863054735E-05
|
|
3.353147910309499 0.2587906738178459E-05
|
|
3.360033224293707 0.2350738003685080E-05
|
|
3.366918538277916 0.2129659170777763E-05
|
|
3.373803852262124 0.1923734650954031E-05
|
|
3.380689166246333 0.1732097234354396E-05
|
|
3.387574480230541 0.1553904309737437E-05
|
|
3.394459794214749 0.1388361403012084E-05
|
|
3.401345108198958 0.1234714074726241E-05
|
|
3.408230422183166 0.1092245693989116E-05
|
|
3.415115736167375 0.9597311835507390E-06
|
|
3.422001050151583 0.8375671758151404E-06
|
|
3.428886364135792 0.7248258323334927E-06
|
|
3.435771678120000 0.000000000000000
|
|
1 0.5 1 5.1397484951532793 #kb l, j, n (sequence number), Reference energy
|
|
500 0.7609465103106213E-02 3.797123086450000 # npts, delta, cutoff
|
|
0.000000000000000 2.898795158767383
|
|
0.7609465103106213E-02 2.898754860726552
|
|
0.1521893020621243E-01 2.898604558051296
|
|
0.2282839530931864E-01 2.898353848707409
|
|
0.3043786041242485E-01 2.898002427104504
|
|
0.3804732551553106E-01 2.897549865566418
|
|
0.4565679061863728E-01 2.896995614869173
|
|
0.5326625572174349E-01 2.896339004780919
|
|
0.6087572082484970E-01 2.895579244670806
|
|
0.6848518592795591E-01 2.894715424265694
|
|
0.7609465103106212E-01 2.893746514493551
|
|
0.8370411613416834E-01 2.892671368467411
|
|
0.9131358123727455E-01 2.891488722560799
|
|
0.9892304634038077E-01 2.890197197588440
|
|
0.1065325114434870 2.888795300102496
|
|
0.1141419765465932 2.887281423852515
|
|
0.1217514416496994 2.885653851230914
|
|
0.1293609067528056 2.883910754926264
|
|
0.1369703718559118 2.882050199724707
|
|
0.1445798369590180 2.880070144283974
|
|
0.1521893020621242 2.877968443100075
|
|
0.1597987671652305 2.875742848592962
|
|
0.1674082322683367 2.873391013233025
|
|
0.1750176973714429 2.870910491868437
|
|
0.1826271624745491 2.868298744017006
|
|
0.1902366275776553 2.865553136418677
|
|
0.1978460926807615 2.862670945536129
|
|
0.2054555577838678 2.859649360317829
|
|
0.2130650228869740 2.856485484878865
|
|
0.2206744879900802 2.853176341440319
|
|
0.2282839530931864 2.849718873273839
|
|
0.2358934181962926 2.846109947770119
|
|
0.2435028832993988 2.842346359587262
|
|
0.2511123484025050 2.838424833946976
|
|
0.2587218135056112 2.834342029931390
|
|
0.2663312786087175 2.830094543935696
|
|
0.2739407437118236 2.825678913212071
|
|
0.2815502088149299 2.821091619496481
|
|
0.2891596739180361 2.816329092636279
|
|
0.2967691390211423 2.811387714516012
|
|
0.3043786041242485 2.806263822820012
|
|
0.3119880692273547 2.800953715009787
|
|
0.3195975343304610 2.795453652416257
|
|
0.3272069994335672 2.789759864317912
|
|
0.3348164645366734 2.783868552213890
|
|
0.3424259296397796 2.777775893985282
|
|
0.3500353947428858 2.771478048376347
|
|
0.3576448598459920 2.764971159378788
|
|
0.3652543249490982 2.758251360767358
|
|
0.3728637900522044 2.751314780609881
|
|
0.3804732551553107 2.744157546037899
|
|
0.3880827202584168 2.736775787874865
|
|
0.3956921853615231 2.729165645534231
|
|
0.4033016504646293 2.721323271743333
|
|
0.4109111155677355 2.713244837633629
|
|
0.4185205806708417 2.704926537600427
|
|
0.4261300457739479 2.696364594374822
|
|
0.4337395108770541 2.687555264275941
|
|
0.4413489759801604 2.678494842163110
|
|
0.4489584410832665 2.669179666830307
|
|
0.4565679061863728 2.659606126253354
|
|
0.4641773712894790 2.649770662870689
|
|
0.4717868363925852 2.639669779013535
|
|
0.4793963014956914 2.629300042312348
|
|
0.4870057665987976 2.618658091219242
|
|
0.4946152317019039 2.607740640459170
|
|
0.5022246968050100 2.596544486638290
|
|
0.5098341619081163 2.585066513792496
|
|
0.5174436270112225 2.573303699094084
|
|
0.5250530921143287 2.561253118376355
|
|
0.5326625572174349 2.548911951930264
|
|
0.5402720223205412 2.536277490193700
|
|
0.5478814874236473 2.523347139400744
|
|
0.5554909525267535 2.510118427421014
|
|
0.5631004176298597 2.496589009434084
|
|
0.5707098827329660 2.482756673725658
|
|
0.5783193478360722 2.468619347423259
|
|
0.5859288129391784 2.454175102286518
|
|
0.5935382780422847 2.439422160414280
|
|
0.6011477431453909 2.424358900026327
|
|
0.6087572082484970 2.408983861138900
|
|
0.6163666733516032 2.393295751255210
|
|
0.6239761384547095 2.377293451086349
|
|
0.6315856035578157 2.360976020095725
|
|
0.6391950686609219 2.344342702141919
|
|
0.6468045337640281 2.327392930998241
|
|
0.6544139988671344 2.310126335793635
|
|
0.6620234639702405 2.292542746466035
|
|
0.6696329290733467 2.274642199057681
|
|
0.6772423941764529 2.256424941005680
|
|
0.6848518592795592 2.237891436330234
|
|
0.6924613243826654 2.219042370642145
|
|
0.7000707894857716 2.199878656147519
|
|
0.7076802545888778 2.180401436514095
|
|
0.7152897196919841 2.160612091563374
|
|
0.7228991847950902 2.140512241903445
|
|
0.7305086498981964 2.120103753364766
|
|
0.7381181150013026 2.099388741265530
|
|
0.7457275801044089 2.078369574630724
|
|
0.7533370452075151 2.057048880060919
|
|
0.7609465103106213 2.035429545572389
|
|
0.7685559754137276 2.013514724167688
|
|
0.7761654405168337 1.991307837199438
|
|
0.7837749056199399 1.968812577540802
|
|
0.7913843707230461 1.946032912531484
|
|
0.7989938358261524 1.922973086645675
|
|
0.8066033009292586 1.899637623945472
|
|
0.8142127660323648 1.876031330270966
|
|
0.8218222311354710 1.852159295138972
|
|
0.8294316962385773 1.828026893362508
|
|
0.8370411613416834 1.803639786372914
|
|
0.8446506264447896 1.779003923238096
|
|
0.8522600915478958 1.754125541367051
|
|
0.8598695566510021 1.729011166860193
|
|
0.8674790217541083 1.703667614532635
|
|
0.8750884868572145 1.678101987591053
|
|
0.8826979519603207 1.652321676948087
|
|
0.8903074170634269 1.626334360132255
|
|
0.8979168821665331 1.600147999826113
|
|
0.9055263472696393 1.573770842034738
|
|
0.9131358123727455 1.547211413826147
|
|
0.9207452774758518 1.520478520658355
|
|
0.9283547425789580 1.493581243281657
|
|
0.9359642076820642 1.466528934206911
|
|
0.9435736727851705 1.439331213740348
|
|
0.9511831378882766 1.411997965584045
|
|
0.9587926029913828 1.384539331954077
|
|
0.9664020680944890 1.356965708245983
|
|
0.9740115331975953 1.329287737247961
|
|
0.9816209983007015 1.301516302859259
|
|
0.9892304634038077 1.273662523339619
|
|
0.9968399285069139 1.245737744076997
|
|
1.004449393610020 1.217753529879321
|
|
1.012058858713126 1.189721656837495
|
|
1.019668323816233 1.161654103521466
|
|
1.027277788919339 1.133563041778923
|
|
1.034887254022445 1.105460827231553
|
|
1.042496719125551 1.077359989086655
|
|
1.050106184228657 1.049273219305054
|
|
1.057715649331764 1.021213361627388
|
|
1.065325114434870 0.9931933999959414
|
|
1.072934579537976 0.9652264463959018
|
|
1.080544044641082 0.9373257283013233
|
|
1.088153509744189 0.9095045756979696
|
|
1.095762974847295 0.8817764075982993
|
|
1.103372439950401 0.8541547180566746
|
|
1.110981905053507 0.8266530619125975
|
|
1.118591370156613 0.7992850400408442
|
|
1.126200835259719 0.7720642840642187
|
|
1.133810300362826 0.7450044407494558
|
|
1.141419765465932 0.7181191560959295
|
|
1.149029230569038 0.6914220589950708
|
|
1.156638695672144 0.6649267445244389
|
|
1.164248160775251 0.6386467569354202
|
|
1.171857625878357 0.6125955723361051
|
|
1.179467090981463 0.5867865810693502
|
|
1.187076556084569 0.5612330698132477
|
|
1.194686021187676 0.5359482034781033
|
|
1.202295486290782 0.5109450069057849
|
|
1.209904951393888 0.4862363463576039
|
|
1.217514416496994 0.4618349108770449
|
|
1.225123881600100 0.4377531934801843
|
|
1.232733346703206 0.4140034722684502
|
|
1.240342811806313 0.3905977915716079
|
|
1.247952276909419 0.3675479430275883
|
|
1.255561742012525 0.3448654466908008
|
|
1.263171207115631 0.3225615321423684
|
|
1.270780672218738 0.3006471198054695
|
|
1.278390137321844 0.2791328024632919
|
|
1.285999602424950 0.2580288268784173
|
|
1.293609067528056 0.2373450756106071
|
|
1.301218532631162 0.2170910492302999
|
|
1.308827997734269 0.1972758489090231
|
|
1.316437462837375 0.1779081593543439
|
|
1.324046927940481 0.1589962321891888
|
|
1.331656393043587 0.1405478698645312
|
|
1.339265858146693 0.1225704101282317
|
|
1.346875323249800 0.1050707111117205
|
|
1.354484788352906 0.8805513706638855E-01
|
|
1.362094253456012 0.7152954483982556E-01
|
|
1.369703718559118 0.5549927114539249E-01
|
|
1.377313183662225 0.3996912064890566E-01
|
|
1.384922648765331 0.2494335494882544E-01
|
|
1.392532113868437 0.1042568245937983E-01
|
|
1.400141578971543 -0.3580750689491095E-02
|
|
1.407751044074649 -0.1707336872088812E-01
|
|
1.415360509177756 -0.3005017321194054E-01
|
|
1.422969974280862 -0.4250974899608740E-01
|
|
1.430579439383968 -0.5445126889665572E-01
|
|
1.438188904487074 -0.6587449727419749E-01
|
|
1.445798369590180 -0.7677979237133831E-01
|
|
1.453407834693287 -0.8716810740039098E-01
|
|
1.461017299796393 -0.9704099034681761E-01
|
|
1.468626764899499 -0.1064005825045428
|
|
1.476236230002605 -0.1152496157643518
|
|
1.483845695105712 -0.1235914085558661
|
|
1.491455160208818 -0.1314298605159648
|
|
1.499064625311924 -0.1387694458217824
|
|
1.506674090415030 -0.1456152052727239
|
|
1.514283555518136 -0.1519727371222900
|
|
1.521893020621243 -0.1578481866313031
|
|
1.529502485724349 -0.1632482344240687
|
|
1.537111950827455 -0.1681800836125975
|
|
1.544721415930561 -0.1726514458143466
|
|
1.552330881033667 -0.1766705260557305
|
|
1.559940346136774 -0.1802460065983051
|
|
1.567549811239880 -0.1833870297715621
|
|
1.575159276342986 -0.1861031797950908
|
|
1.582768741446092 -0.1884044637534676
|
|
1.590378206549198 -0.1903012917074631
|
|
1.597987671652305 -0.1918044560210848
|
|
1.605597136755411 -0.1929251100023712
|
|
1.613206601858517 -0.1936747458134400
|
|
1.620816066961623 -0.1940651718793726
|
|
1.628425532064730 -0.1941084897620786
|
|
1.636034997167836 -0.1938170705764098
|
|
1.643644462270942 -0.1932035310614158
|
|
1.651253927374048 -0.1922807092595205
|
|
1.658863392477155 -0.1910616400217064
|
|
1.666472857580261 -0.1895595303064949
|
|
1.674082322683367 -0.1877877343523515
|
|
1.681691787786473 -0.1857597288001463
|
|
1.689301252889579 -0.1834890878158923
|
|
1.696910717992685 -0.1809894582390838
|
|
1.704520183095792 -0.1782745348701571
|
|
1.712129648198898 -0.1753580358834362
|
|
1.719739113302004 -0.1722536784520209
|
|
1.727348578405110 -0.1689751546084968
|
|
1.734958043508217 -0.1655361073831095
|
|
1.742567508611323 -0.1619501072565176
|
|
1.750176973714429 -0.1582306289519594
|
|
1.757786438817535 -0.1543910286093085
|
|
1.765395903920641 -0.1504445213454087
|
|
1.773005369023748 -0.1464041592316672
|
|
1.780614834126854 -0.1422828097142732
|
|
1.788224299229960 -0.1380931344775060
|
|
1.795833764333066 -0.1338475687429024
|
|
1.803443229436172 -0.1295583011040557
|
|
1.811052694539279 -0.1252372537473453
|
|
1.818662159642385 -0.1208960632410872
|
|
1.826271624745491 -0.1165460616345117
|
|
1.833881089848597 -0.1121982582432313
|
|
1.841490554951704 -0.1078633215787844
|
|
1.849100020054810 -0.1035515623766072
|
|
1.856709485157916 -0.9927291630414228E-01
|
|
1.864318950261022 -0.9503692781096341E-01
|
|
1.871928415364128 -0.9085273330888848E-01
|
|
1.879537880467235 -0.8672904597949875E-01
|
|
1.887147345570341 -0.8267413997614635E-01
|
|
1.894756810673447 -0.7869583638914007E-01
|
|
1.902366275776553 -0.7480148815422341E-01
|
|
1.909975740879659 -0.7099796623635586E-01
|
|
1.917585205982766 -0.6729164520001150E-01
|
|
1.925194671085872 -0.6368838995543644E-01
|
|
1.932804136188978 -0.6019354222114259E-01
|
|
1.940413601292084 -0.5681190779298181E-01
|
|
1.948023066395191 -0.5354774363007820E-01
|
|
1.955632531498297 -0.5040474517958200E-01
|
|
1.963241996601403 -0.4738603429346600E-01
|
|
1.970851461704509 -0.4449414650033938E-01
|
|
1.978460926807615 -0.4173102096437416E-01
|
|
1.986070391910722 -0.3909798565918901E-01
|
|
1.993679857013828 -0.3659574729281173E-01
|
|
2.001289322116934 -0.3422438108503261E-01
|
|
2.008898787220040 -0.3198331208607271E-01
|
|
2.016508252323146 -0.2987131836562611E-01
|
|
2.024117717426253 -0.2788655975370678E-01
|
|
2.031727182529359 -0.2602632562336296E-01
|
|
2.039336647632465 -0.2428743949501101E-01
|
|
2.046946112735571 -0.2266595258958787E-01
|
|
2.054555577838677 -0.2115730779388902E-01
|
|
2.062165042941784 -0.1975606791502490E-01
|
|
2.069774508044890 -0.1845601939012830E-01
|
|
2.077383973147996 -0.1724964970280080E-01
|
|
2.084993438251102 -0.1613082847462707E-01
|
|
2.092602903354209 -0.1509010749073051E-01
|
|
2.100212368457315 -0.1411990636786098E-01
|
|
2.107821833560421 -0.1320637395847726E-01
|
|
2.115431298663527 -0.1234333054700870E-01
|
|
2.123040763766634 -0.1152504748813050E-01
|
|
2.130650228869740 -0.1074672677708956E-01
|
|
2.138259693972846 -0.1001061279695215E-01
|
|
2.145869159075952 -0.9313445108212332E-02
|
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2.153478624179058 -0.8654530688333733E-02
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2.161088089282165 -0.8031006664390931E-02
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2.168697554385271 -0.7442107603050916E-02
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2.176307019488377 -0.6886514096010586E-02
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2.183916484591483 -0.6362940637406298E-02
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2.191525949694589 -0.5869766192475900E-02
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2.199135414797695 -0.5405739719129032E-02
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2.206744879900802 -0.4969483208747843E-02
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2.214354345003908 -0.4559948087317499E-02
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2.221963810107014 -0.4175874297506088E-02
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2.229573275210120 -0.3816101862535304E-02
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2.237182740313227 -0.3479505603799073E-02
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2.244792205416333 -0.3164999498480059E-02
|
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2.252401670519439 -0.2871527658924470E-02
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2.260011135622545 -0.2598068851507900E-02
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2.267620600725651 -0.2343635033325483E-02
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2.275230065828758 -0.2107269352505121E-02
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2.282839530931864 -0.1888048239511566E-02
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2.290448996034970 -0.1685078996286848E-02
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2.298058461138076 -0.1497500258757302E-02
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2.305667926241183 -0.1324480455466088E-02
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2.313277391344289 -0.1165217787262029E-02
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2.320886856447395 -0.1018939591005337E-02
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2.328496321550501 -0.8849015546987066E-03
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2.336105786653607 -0.7623875122084800E-03
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2.343715251756714 -0.6507086702203317E-03
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2.351324716859820 -0.5492030773875028E-03
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2.358934181962926 -0.4572351330337262E-03
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2.366543647066032 -0.3741949041449139E-03
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2.374153112169139 -0.2994976354223352E-03
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2.381762577272245 -0.2325831726273005E-03
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2.389372042375351 -0.1729153884802097E-03
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2.396981507478457 -0.1199816429468039E-03
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2.404590972581564 -0.7329221090595599E-04
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2.412200437684669 -0.3237972643976518E-04
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2.419809902787776 0.3201366970207171E-05
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2.427419367890882 0.3387537951632974E-04
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2.435028832993988 0.6004591923408659E-04
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2.442638298097094 0.8209644139947217E-04
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2.450247763200200 0.1003907897907538E-03
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2.457857228303307 0.1152737414068634E-03
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2.465466693406413 0.1270715393766789E-03
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2.473076158509519 0.1360924258195242E-03
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2.480685623612625 0.1426271640161079E-03
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2.488295088715732 0.1469495666060449E-03
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2.495904553818838 0.1493170063794178E-03
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2.503514018921944 0.1499709247833062E-03
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2.511123484025050 0.1491373440788718E-03
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2.518732949128156 0.1470273487986122E-03
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2.526342414231263 0.1438375852882745E-03
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2.533951879334369 0.1397507605637001E-03
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2.541561344437475 0.1349360352661050E-03
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2.549170809540581 0.1295496266758144E-03
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2.556780274643688 0.1237351834273531E-03
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2.564389739746794 0.1176241666568627E-03
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2.571999204849900 0.1113366837157713E-03
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2.579608669953006 0.1049813006763271E-03
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2.587218135056113 0.9865585091585629E-04
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2.594827600159219 0.9244807874218674E-04
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2.602437065262325 0.8643476335766864E-04
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2.610046530365431 0.8068412184782492E-04
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2.617655995468537 0.7525503839739771E-04
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2.625265460571644 0.7019769077642040E-04
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2.632874925674750 0.6555337455716615E-04
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2.640484390777856 0.6135734910743307E-04
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2.648093855880962 0.5763491172922317E-04
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2.655703320984068 0.5440454055830942E-04
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2.663312786087174 0.5167818519818487E-04
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2.670922251190281 0.4945910866652735E-04
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2.678531716293387 0.4774639339574877E-04
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2.686141181396493 0.4653276898393968E-04
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2.693750646499599 0.4580805818702233E-04
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2.701360111602706 0.4554881322169830E-04
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2.708969576705812 0.4573489140492927E-04
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2.716579041808918 0.4633998366229747E-04
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2.724188506912024 0.4733375143609351E-04
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2.731797972015130 0.4867404104295712E-04
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2.739407437118237 0.5034205581762025E-04
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2.747016902221343 0.5228476202631348E-04
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2.754626367324449 0.5445215976795522E-04
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2.762235832427555 0.5679463729651022E-04
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2.769845297530662 0.5924228142331857E-04
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2.777454762633768 0.6173984301601892E-04
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2.785064227736874 0.6422848505625461E-04
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2.792673692839980 0.6665208546965369E-04
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2.800283157943086 0.6896970153325878E-04
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2.807892623046193 0.7111014143115034E-04
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2.815502088149299 0.7304953643946373E-04
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2.823111553252405 0.7476375806497248E-04
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2.830721018355511 0.7622466713334849E-04
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2.838330483458618 0.7746291351673324E-04
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2.845939948561724 0.7847233716656834E-04
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2.853549413664830 0.7926404026669999E-04
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2.861158878767936 0.7985283584051573E-04
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2.868768343871042 0.8025466173535529E-04
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2.876377808974148 0.8048931275052464E-04
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2.883987274077255 0.8057274473105249E-04
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2.891596739180361 0.8052014850627432E-04
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2.899206204283467 0.8034446614067669E-04
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2.906815669386573 0.8005654306058461E-04
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2.914425134489679 0.7966341751513020E-04
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2.922034599592786 0.7917154590578792E-04
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2.929644064695892 0.7858559922491053E-04
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2.937253529798998 0.7790965884643218E-04
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2.944862994902104 0.7720454526376090E-04
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2.952472460005211 0.7633266114958614E-04
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2.960081925108317 0.7537392600715035E-04
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2.967691390211423 0.7435225676562285E-04
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2.975300855314529 0.7329549955560493E-04
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2.982910320417635 0.7203862146120006E-04
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2.990519785520742 0.7109765382565735E-04
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2.998129250623848 0.7021344301554017E-04
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3.005738715726954 0.6931620621047808E-04
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3.013348180830060 0.6873228238027339E-04
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3.020957645933167 0.6740055299944634E-04
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3.028567111036273 0.6556405131404261E-04
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3.036176576139379 0.6317613509614353E-04
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3.043786041242485 0.6025780072310202E-04
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3.051395506345592 0.5641443594715469E-04
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3.059004971448698 0.5285070401937943E-04
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3.066614436551804 0.4933335921656488E-04
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3.074223901654910 0.4599987607834483E-04
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3.081833366758016 0.4294610310597140E-04
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3.089442831861123 0.4054568272437919E-04
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3.097052296964228 0.3808488548739845E-04
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3.104661762067335 0.3579480975840033E-04
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3.112271227170441 0.3363668531591165E-04
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3.119880692273547 0.3157574917991867E-04
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3.127490157376653 0.2958687253741220E-04
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3.135099622479760 0.2755080469801851E-04
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3.142709087582866 0.2573800231132983E-04
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3.150318552685972 0.2402459118210308E-04
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3.157928017789078 0.2240972919104667E-04
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3.165537482892185 0.2089185735444474E-04
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3.173146947995291 0.1948635414280511E-04
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3.180756413098397 0.1814447226507267E-04
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3.188365878201503 0.1688170011136026E-04
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3.195975343304609 0.1569407863157746E-04
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3.203584808407716 0.1457779776154638E-04
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3.211194273510822 0.1352919690617884E-04
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3.218803738613928 0.1254475555751298E-04
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3.226413203717034 0.1162110284803736E-04
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3.234022668820141 0.1075500740771469E-04
|
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3.241632133923247 0.9943376150648264E-05
|
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3.249241599026353 0.9183252816551111E-05
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3.256851064129459 0.8471807164760321E-05
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3.264460529232565 0.7806342538095103E-05
|
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3.272069994335672 0.7184285206278485E-05
|
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3.279679459438778 0.6603182090868076E-05
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3.287288924541884 0.6060696857758436E-05
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3.294898389644990 0.5554606802210792E-05
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3.302507854748097 0.5082795176531413E-05
|
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3.310117319851203 0.4643253134409475E-05
|
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3.317726784954309 0.4234071892542879E-05
|
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3.325336250057415 0.3853439737381316E-05
|
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3.332945715160521 0.3499639194421826E-05
|
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3.340555180263627 0.3171038820881557E-05
|
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3.348164645366734 0.2866096239965888E-05
|
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3.355774110469840 0.2583350198161059E-05
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3.363383575572946 0.2321417980455900E-05
|
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3.370993040676052 0.2078991927411926E-05
|
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3.378602505779158 0.1854836319344986E-05
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3.386211970882265 0.1647782870613313E-05
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3.393821435985371 0.1456729478152237E-05
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3.401430901088477 0.1280635847951574E-05
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3.409040366191583 0.1118520815656084E-05
|
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3.416649831294690 0.9694599282516036E-06
|
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3.424259296397796 0.8325807190933157E-06
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3.431868761500902 0.7070630111944145E-06
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3.439478226604008 0.5921344737587028E-06
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3.447087691707114 0.4870685887835816E-06
|
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3.454697156810221 0.3911822865555443E-06
|
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3.462306621913327 0.3038338764860636E-06
|
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3.469916087016433 0.2244200217814426E-06
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3.477525552119539 0.1523750003327008E-06
|
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3.485135017222646 0.8716784781481538E-07
|
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3.492744482325752 0.2830066511495744E-07
|
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3.500353947428858 -0.2469319350371843E-07
|
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3.507963412531964 -0.7225076079811257E-07
|
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3.515572877635071 -0.1147814922773722E-06
|
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3.523182342738177 -0.1526682139689073E-06
|
|
3.530791807841283 -0.1862690295026886E-06
|
|
3.538401272944389 -0.2159186414333151E-06
|
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3.546010738047495 -0.2419297456009477E-06
|
|
3.553620203150601 -0.2645941301872237E-06
|
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3.561229668253707 -0.2841841686751217E-06
|
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3.568839133356814 -0.3009538004916797E-06
|
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3.576448598459920 -0.3151396635611532E-06
|
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3.584058063563026 -0.3269621289544346E-06
|
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3.591667528666132 -0.3366259193327974E-06
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3.599276993769239 -0.3443225484576791E-06
|
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3.606886458872345 -0.3502288965835957E-06
|
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3.614495923975451 -0.3545095009731602E-06
|
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3.622105389078557 -0.3573170037521597E-06
|
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3.629714854181664 -0.3587928965119996E-06
|
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3.637324319284770 -0.3590685845257929E-06
|
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3.644933784387876 -0.3582645458935406E-06
|
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3.652543249490982 -0.3564932678002967E-06
|
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3.660152714594088 -0.3538583713214641E-06
|
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3.667762179697195 -0.3504555165285844E-06
|
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3.675371644800301 -0.3463729315542048E-06
|
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3.682981109903407 -0.3416928447490077E-06
|
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3.690590575006513 -0.3364880491368285E-06
|
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3.698200040109620 -0.3308281870195865E-06
|
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3.705809505212726 -0.3247764700765381E-06
|
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3.713418970315832 -0.3183909122012845E-06
|
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3.721028435418938 -0.3117246768657834E-06
|
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3.728637900522044 -0.3048380531971494E-06
|
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3.736247365625151 -0.2977511355208324E-06
|
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3.743856830728257 -0.2905133976603796E-06
|
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3.751466295831363 -0.2831612638309028E-06
|
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3.759075760934469 -0.2757283232695869E-06
|
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3.766685226037576 -0.2682457677847240E-06
|
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3.774294691140682 -0.2608497601818467E-06
|
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3.781904156243788 -0.2533627444189686E-06
|
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3.789513621346894 -0.2458725276070686E-06
|
|
3.797123086450000 0.000000000000000
|
|
1 1.5 1 3.5916804004823968 #kb l, j, n (sequence number), Reference energy
|
|
500 0.7609465103106213E-02 3.797123086450000 # npts, delta, cutoff
|
|
0.000000000000000 2.786557645446636
|
|
0.7609465103106213E-02 2.786522893612094
|
|
0.1521893020621243E-01 2.786391657786123
|
|
0.2282839530931864E-01 2.786172742131767
|
|
0.3043786041242485E-01 2.785865864375430
|
|
0.3804732551553106E-01 2.785470629440792
|
|
0.4565679061863728E-01 2.784986529926948
|
|
0.5326625572174349E-01 2.784412946572787
|
|
0.6087572082484970E-01 2.783749148785055
|
|
0.6848518592795591E-01 2.782994295288682
|
|
0.7609465103106212E-01 2.782147434856350
|
|
0.8370411613416834E-01 2.781207507158155
|
|
0.9131358123727455E-01 2.780173343688145
|
|
0.9892304634038077E-01 2.779043668785355
|
|
0.1065325114434870 2.777817100749703
|
|
0.1141419765465932 2.776492153111876
|
|
0.1217514416496994 2.775067235870305
|
|
0.1293609067528056 2.773540656919574
|
|
0.1369703718559118 2.771910623625790
|
|
0.1445798369590180 2.770175244338728
|
|
0.1521893020621242 2.768332530100686
|
|
0.1597987671652305 2.766380396459510
|
|
0.1674082322683367 2.764316665293408
|
|
0.1750176973714429 2.762139066842386
|
|
0.1826271624745491 2.759845241679371
|
|
0.1902366275776553 2.757432742936732
|
|
0.1978460926807615 2.754899038459697
|
|
0.2054555577838678 2.752241513218969
|
|
0.2130650228869740 2.749457471624476
|
|
0.2206744879900802 2.746544140087231
|
|
0.2282839530931864 2.743498669574451
|
|
0.2358934181962926 2.740318138278698
|
|
0.2435028832993988 2.736999554355890
|
|
0.2511123484025050 2.733539858802494
|
|
0.2587218135056112 2.729935928319020
|
|
0.2663312786087175 2.726184578323983
|
|
0.2739407437118236 2.722282566048080
|
|
0.2815502088149299 2.718226593704802
|
|
0.2891596739180361 2.714013311650772
|
|
0.2967691390211423 2.709639321832664
|
|
0.3043786041242485 2.705101181072494
|
|
0.3119880692273547 2.700395404555471
|
|
0.3195975343304610 2.695518469421309
|
|
0.3272069994335672 2.690466818344047
|
|
0.3348164645366734 2.685236863290837
|
|
0.3424259296397796 2.679824989175051
|
|
0.3500353947428858 2.674227557814370
|
|
0.3576448598459920 2.668440911786666
|
|
0.3652543249490982 2.662461378440745
|
|
0.3728637900522044 2.656285273877708
|
|
0.3804732551553107 2.649908907177007
|
|
0.3880827202584168 2.643328584490238
|
|
0.3956921853615231 2.636540613396641
|
|
0.4033016504646293 2.629541307087316
|
|
0.4109111155677355 2.622326988905145
|
|
0.4185205806708417 2.614893996662643
|
|
0.4261300457739479 2.607238687171923
|
|
0.4337395108770541 2.599357440940529
|
|
0.4413489759801604 2.591246666593272
|
|
0.4489584410832665 2.582902805711919
|
|
0.4565679061863728 2.574322337546520
|
|
0.4641773712894790 2.565501783757846
|
|
0.4717868363925852 2.556437713312482
|
|
0.4793963014956914 2.547126747353968
|
|
0.4870057665987976 2.537565564203119
|
|
0.4946152317019039 2.527750904282805
|
|
0.5022246968050100 2.517679575213318
|
|
0.5098341619081163 2.507348456851623
|
|
0.5174436270112225 2.496754506489888
|
|
0.5250530921143287 2.485894763892544
|
|
0.5326625572174349 2.474766356604656
|
|
0.5402720223205412 2.463366505158879
|
|
0.5478814874236473 2.451692528266775
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|
|
2.845939948561724 0.7678792950709060E-04
|
|
2.853549413664830 0.7757351189180777E-04
|
|
2.861158878767936 0.7816068151098310E-04
|
|
2.868768343871042 0.7856492760377671E-04
|
|
2.876377808974148 0.7880561667379156E-04
|
|
2.883987274077255 0.7889827721723582E-04
|
|
2.891596739180361 0.7885772140519221E-04
|
|
2.899206204283467 0.7869656709733187E-04
|
|
2.906815669386573 0.7842535688358366E-04
|
|
2.914425134489679 0.7805101258119171E-04
|
|
2.922034599592786 0.7757978567669810E-04
|
|
2.929644064695892 0.7701621103899347E-04
|
|
2.937253529798998 0.7636424836826197E-04
|
|
2.944862994902104 0.7568361363084408E-04
|
|
2.952472460005211 0.7483905364612862E-04
|
|
2.960081925108317 0.7390905513016958E-04
|
|
2.967691390211423 0.7291707698780770E-04
|
|
2.975300855314529 0.7189044183735847E-04
|
|
2.982910320417635 0.7066703110848355E-04
|
|
2.990519785520742 0.6975366559169144E-04
|
|
2.998129250623848 0.6889578463971009E-04
|
|
3.005738715726954 0.6802482534493822E-04
|
|
3.013348180830060 0.6746121838315674E-04
|
|
3.020957645933167 0.6616286660370860E-04
|
|
3.028567111036273 0.6436837723062950E-04
|
|
3.036176576139379 0.6203188390106871E-04
|
|
3.043786041242485 0.5917394156640846E-04
|
|
3.051395506345592 0.5540705631090733E-04
|
|
3.059004971448698 0.5191399244015746E-04
|
|
3.066614436551804 0.4846572910629794E-04
|
|
3.074223901654910 0.4519725463479043E-04
|
|
3.081833366758016 0.4220270542409112E-04
|
|
3.089442831861123 0.3984891857688704E-04
|
|
3.097052296964228 0.3743532348454233E-04
|
|
3.104661762067335 0.3518883275266076E-04
|
|
3.112271227170441 0.3307144188482153E-04
|
|
3.119880692273547 0.3104907560011347E-04
|
|
3.127490157376653 0.2909711024494562E-04
|
|
3.135099622479760 0.2709854614040245E-04
|
|
3.142709087582866 0.2531884575203152E-04
|
|
3.150318552685972 0.2363646623281755E-04
|
|
3.157928017789078 0.2205060816064449E-04
|
|
3.165537482892185 0.2055976664254558E-04
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|
3.173146947995291 0.1917905321528985E-04
|
|
3.180756413098397 0.1786065960841989E-04
|
|
3.188365878201503 0.1661980153695218E-04
|
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3.195975343304609 0.1545261190177266E-04
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3.203584808407716 0.1435536820838684E-04
|
|
3.211194273510822 0.1332449311725202E-04
|
|
3.218803738613928 0.1235654543045618E-04
|
|
3.226413203717034 0.1144822940606902E-04
|
|
3.234022668820141 0.1059638498985697E-04
|
|
3.241632133923247 0.9797986686630091E-05
|
|
3.249241599026353 0.9050142196076845E-05
|
|
3.256851064129459 0.8350081942213060E-05
|
|
3.264460529232565 0.7695166483057256E-05
|
|
3.272069994335672 0.7082876175631512E-05
|
|
3.279679459438778 0.6510808996940836E-05
|
|
3.287288924541884 0.5976676771412965E-05
|
|
3.294898389644990 0.5478302164030222E-05
|
|
3.302507854748097 0.5013611243917973E-05
|
|
3.310117319851203 0.4580635383951557E-05
|
|
3.317726784954309 0.4177503656802863E-05
|
|
3.325336250057415 0.3802439933678435E-05
|
|
3.332945715160521 0.3453760146153032E-05
|
|
3.340555180263627 0.3129864284009388E-05
|
|
3.348164645366734 0.2829239391161800E-05
|
|
3.355774110469840 0.2550451817586527E-05
|
|
3.363383575572946 0.2292144712090251E-05
|
|
3.370993040676052 0.2053034634096309E-05
|
|
3.378602505779158 0.1831908520690747E-05
|
|
3.386211970882265 0.1627619302735487E-05
|
|
3.393821435985371 0.1439084680467403E-05
|
|
3.401430901088477 0.1265282866228349E-05
|
|
3.409040366191583 0.1105249971803630E-05
|
|
3.416649831294690 0.9580776536968579E-06
|
|
3.424259296397796 0.8229084919970714E-06
|
|
3.431868761500902 0.6989363048123294E-06
|
|
3.439478226604008 0.5854018006419336E-06
|
|
3.447087691707114 0.4815905957927345E-06
|
|
3.454697156810221 0.3868309054648852E-06
|
|
3.462306621913327 0.3004915241096353E-06
|
|
3.469916087016433 0.2219788635678985E-06
|
|
3.477525552119539 0.1507362398075291E-06
|
|
3.485135017222646 0.8624107447192212E-07
|
|
3.492744482325752 0.2800324115250882E-07
|
|
3.500353947428858 -0.2443670669413329E-07
|
|
3.507963412531964 -0.7150913964317125E-07
|
|
3.515572877635071 -0.1136173482763250E-06
|
|
3.523182342738177 -0.1511384647128874E-06
|
|
3.530791807841283 -0.1844253336548075E-06
|
|
3.538401272944389 -0.2138078053532066E-06
|
|
3.546010738047495 -0.2395941017553626E-06
|
|
3.553620203150601 -0.2620718915822683E-06
|
|
3.561229668253707 -0.2815097557364509E-06
|
|
3.568839133356814 -0.2981581469568321E-06
|
|
3.576448598459920 -0.3122505004253254E-06
|
|
3.584058063563026 -0.3240042482714104E-06
|
|
3.591667528666132 -0.3336214212964672E-06
|
|
3.599276993769239 -0.3412910618275948E-06
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|
3.606886458872345 -0.3471877962722301E-06
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|
3.614495923975451 -0.3514741014878725E-06
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|
3.622105389078557 -0.3543007401866369E-06
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|
3.629714854181664 -0.3558074920123026E-06
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|
3.637324319284770 -0.3561241985697442E-06
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|
3.644933784387876 -0.3553699382956834E-06
|
|
3.652543249490982 -0.3536559096547302E-06
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3.660152714594088 -0.3510845725409124E-06
|
|
3.667762179697195 -0.3477505375881805E-06
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|
3.675371644800301 -0.3437410863749326E-06
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3.682981109903407 -0.3391375645515231E-06
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3.690590575006513 -0.3340120671649408E-06
|
|
3.698200040109620 -0.3284335235629452E-06
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|
3.705809505212726 -0.3224645323870956E-06
|
|
3.713418970315832 -0.3161625602459207E-06
|
|
3.721028435418938 -0.3095802836545178E-06
|
|
3.728637900522044 -0.3027773269017483E-06
|
|
3.736247365625151 -0.2957738903900840E-06
|
|
3.743856830728257 -0.2886189337165091E-06
|
|
3.751466295831363 -0.2813485974469246E-06
|
|
3.759075760934469 -0.2739962147979278E-06
|
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3.766685226037576 -0.2665927419560983E-06
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|
3.774294691140682 -0.2592723524247183E-06
|
|
3.781904156243788 -0.2518606653118463E-06
|
|
3.789513621346894 -0.2444442589922061E-06
|
|
3.797123086450000 0.000000000000000
|
|
2 1.5 1 0.6131758662395090 #kb l, j, n (sequence number), Reference energy
|
|
500 0.8409775860020041E-02 4.196478154150000 # npts, delta, cutoff
|
|
0.000000000000000 -1.148166700620527
|
|
0.8409775860020041E-02 -1.148198009343314
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|
0.1681955172004008E-01 -1.148325212560408
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0.2522932758006012E-01 -1.148536858966441
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0.3363910344008016E-01 -1.148832417940830
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0.4204887930010021E-01 -1.149211146592733
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0.5045865516012024E-01 -1.149672091250092
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0.5886843102014028E-01 -1.150214088739287
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0.6727820688016033E-01 -1.150835768028792
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0.7568798274018036E-01 -1.151535552090927
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0.8409775860020041E-01 -1.152311659940524
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0.9250753446022045E-01 -1.153162108988593
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0.1009173103202405 -1.154084717844733
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0.1093270861802605 -1.155077108851653
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0.1177368620402806 -1.156136711786304
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0.1261466379003006 -1.157260766804512
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0.1345564137603207 -1.158446328361394
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0.1429661896203407 -1.159690269212356
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0.1513759654803607 -1.160989284181492
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0.1597857413403808 -1.162339895060929
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0.1681955172004008 -1.163738455110114
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0.1766052930604209 -1.165181153701394
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0.1850150689204409 -1.166664021842356
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|
0.1934248447804609 -1.168182937015725
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0.2018346206404810 -1.169733629310107
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0.2102443965005010 -1.171311686509028
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0.2186541723605211 -1.172912560580635
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0.2270639482205411 -1.174531573487434
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0.2354737240805611 -1.176163923643482
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0.2438834999405812 -1.177804692334946
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0.2522932758006012 -1.179448850542624
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0.2607030516606212 -1.181091265560894
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0.2691128275206413 -1.182726707991675
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0.2775226033806614 -1.184349859067646
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0.2859323792406814 -1.185955317778060
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0.2943421551007014 -1.187537608135370
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0.3027519309607214 -1.189091186914899
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0.3111617068207415 -1.190610451090355
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0.3195714826807616 -1.192089745530385
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0.3279812585407816 -1.193523370885666
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0.3363910344008016 -1.194905591502601
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0.3448008102608217 -1.196230643118712
|
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0.3532105861208417 -1.197492741199634
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0.3616203619808618 -1.198686088635472
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|
0.3700301378408818 -1.199804884052365
|
|
0.3784399137009019 -1.200843329916944
|
|
0.3868496895609219 -1.201795640455900
|
|
0.3952594654209419 -1.202656050142733
|
|
0.4036692412809619 -1.203418821331755
|
|
0.4120790171409820 -1.204078252910136
|
|
0.4204887930010021 -1.204628687841854
|
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0.4288985688610221 -1.205064521676980
|
|
0.4373083447210421 -1.205380210159227
|
|
0.4457181205810621 -1.205570277485413
|
|
0.4541278964410822 -1.205629323783568
|
|
0.4625376723011023 -1.205552033271869
|
|
0.4709474481611223 -1.205333181695116
|
|
0.4793572240211423 -1.204967643838507
|
|
0.4877669998811623 -1.204450401285360
|
|
0.4961767757411824 -1.203776549334904
|
|
0.5045865516012025 -1.202941304586676
|
|
0.5129963274612225 -1.201940011650955
|
|
0.5214061033212425 -1.200768150183522
|
|
0.5298158791812626 -1.199421341583212
|
|
0.5382256550412826 -1.197895355470598
|
|
0.5466354309013026 -1.196186116030991
|
|
0.5550452067613227 -1.194289708157345
|
|
0.5634549826213427 -1.192202383339011
|
|
0.5718647584813628 -1.189920565376780
|
|
0.5802745343413828 -1.187440855830557
|
|
0.5886843102014029 -1.184760039246782
|
|
0.5970940860614229 -1.181875088174288
|
|
0.6055038619214429 -1.178783167815038
|
|
0.6139136377814630 -1.175481640446095
|
|
0.6223234136414830 -1.171968069738880
|
|
0.6307331895015030 -1.168240224561525
|
|
0.6391429653615232 -1.164296082537888
|
|
0.6475527412215432 -1.160133833460744
|
|
0.6559625170815632 -1.155751882247033
|
|
0.6643722929415832 -1.151148851659443
|
|
0.6727820688016033 -1.146323584676769
|
|
0.6811918446616233 -1.141275146578200
|
|
0.6896016205216433 -1.136002826689969
|
|
0.6980113963816634 -1.130506139835434
|
|
0.7064211722416834 -1.124784827354937
|
|
0.7148309481017034 -1.118838857913917
|
|
0.7232407239617236 -1.112668427952420
|
|
0.7316504998217436 -1.106273961696118
|
|
0.7400602756817636 -1.099656110946141
|
|
0.7484700515417836 -1.092815754466889
|
|
0.7568798274018037 -1.085753997033762
|
|
0.7652896032618237 -1.078472168220215
|
|
0.7736993791218437 -1.070971820638856
|
|
0.7821091549818638 -1.063254728158875
|
|
0.7905189308418838 -1.055322883489499
|
|
0.7989287067019039 -1.047178495577750
|
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0.8073384825619239 -1.038823986688194
|
|
0.8157482584219440 -1.030261989090527
|
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0.8241580342819640 -1.021495341463228
|
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0.8325678101419840 -1.012527084961388
|
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0.8409775860020041 -1.003360459022376
|
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0.8493873618620241 -0.9939988968082286
|
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0.8577971377220441 -0.9844460203745222
|
|
0.8662069135820643 -0.9747056355817683
|
|
0.8746166894420843 -0.9647817266743444
|
|
0.8830264653021043 -0.9546784506275787
|
|
0.8914362411621243 -0.9444001312168863
|
|
0.8998460170221444 -0.9339512528452090
|
|
0.9082557928821644 -0.9233364541450670
|
|
0.9166655687421844 -0.9125605213279735
|
|
0.9250753446022045 -0.9016283813174855
|
|
0.9334851204622245 -0.8905450947007033
|
|
0.9418948963222445 -0.8793158485275490
|
|
0.9503046721822647 -0.8679459488359471
|
|
0.9587144480422847 -0.8564408130906116
|
|
0.9671242239023047 -0.8448059625109838
|
|
0.9755339997623247 -0.8330470141798156
|
|
0.9839437756223448 -0.8211696730987873
|
|
0.9923535514823648 -0.8091797241483396
|
|
1.000763327342385 -0.7970830240135641
|
|
1.009173103202405 -0.7848854929028918
|
|
1.017582879062425 -0.7725931063386483
|
|
1.025992654922445 -0.7602118871419926
|
|
1.034402430782465 -0.7477478969269580
|
|
1.042812206642485 -0.7352072278624993
|
|
1.051221982502505 -0.7225959947982403
|
|
1.059631758362525 -0.7099203269372508
|
|
1.068041534222545 -0.6971863597568146
|
|
1.076451310082565 -0.6844002272159146
|
|
1.084861085942585 -0.6715680538969028
|
|
1.093270861802605 -0.6586959473313598
|
|
1.101680637662625 -0.6457899905650044
|
|
1.110090413522645 -0.6328562348359339
|
|
1.118500189382665 -0.6199006923773217
|
|
1.126909965242685 -0.6069293296653123
|
|
1.135319741102706 -0.5939480608314340
|
|
1.143729516962726 -0.5809627412603239
|
|
1.152139292822746 -0.5679791615352289
|
|
1.160549068682766 -0.5550030417019961
|
|
1.168958844542786 -0.5420400258391421
|
|
1.177368620402806 -0.5290956769782742
|
|
1.185778396262826 -0.5161754723949016
|
|
1.194188172122846 -0.5032847992474330
|
|
1.202597947982866 -0.4904289505764179
|
|
1.211007723842886 -0.4776131217170588
|
|
1.219417499702906 -0.4648424070957188
|
|
1.227827275562926 -0.4521217974773509
|
|
1.236237051422946 -0.4394561776047956
|
|
1.244646827282966 -0.4268503241822855
|
|
1.253056603142986 -0.4143089043069773
|
|
1.261466379003006 -0.4018364743699826
|
|
1.269876154863026 -0.3894374792969226
|
|
1.278285930723046 -0.3771162521200182
|
|
1.286695706583066 -0.3648770140010916
|
|
1.295105482443086 -0.3527238746595184
|
|
1.303515258303106 -0.3406608330777225
|
|
1.311925034163126 -0.3286917785143240
|
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1.320334810023146 -0.3168204918592700
|
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1.328744585883166 -0.3050506472683235
|
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1.337154361743186 -0.2933858140294322
|
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1.345564137603207 -0.2818294586427324
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1.353973913463226 -0.2703849471135774
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1.362383689323247 -0.2590555473890114
|
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1.370793465183267 -0.2478444318968037
|
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1.379203241043287 -0.2367546801775246
|
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1.387613016903307 -0.2257892815630675
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1.396022792763327 -0.2149511378821503
|
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1.404432568623347 -0.2042430661165056
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1.412842344483367 -0.1936678009937750
|
|
1.421252120343387 -0.1832279974952971
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3.893726223189279 -0.2740575422729843E-06
|
|
3.902135999049299 -0.2638845717307663E-06
|
|
3.910545774909319 -0.2539633164642264E-06
|
|
3.918955550769339 -0.2442983559621447E-06
|
|
3.927365326629359 -0.2348928764098421E-06
|
|
3.935775102489379 -0.2257489978386912E-06
|
|
3.944184878349399 -0.2168677639967352E-06
|
|
3.952594654209419 -0.2082492786068461E-06
|
|
3.961004430069439 -0.1998928044599464E-06
|
|
3.969414205929459 -0.1917968740227310E-06
|
|
3.977823981789479 -0.1839592924230612E-06
|
|
3.986233757649499 -0.1763773378869901E-06
|
|
3.994643533509520 -0.1690477543734022E-06
|
|
4.003053309369539 -0.1619668345958802E-06
|
|
4.011463085229559 -0.1551304794154862E-06
|
|
4.019872861089580 -0.1485342844456037E-06
|
|
4.028282636949600 -0.1421734530840196E-06
|
|
4.036692412809620 -0.1360430496047003E-06
|
|
4.045102188669640 -0.1301379068781430E-06
|
|
4.053511964529660 -0.1244526941800431E-06
|
|
4.061921740389680 -0.1189819504800421E-06
|
|
4.070331516249699 -0.1137203579424314E-06
|
|
4.078741292109719 -0.1086617540192073E-06
|
|
4.087151067969740 -0.1038006780387398E-06
|
|
4.095560843829760 -0.9913143423881057E-07
|
|
4.103970619689780 -0.9464833427182098E-07
|
|
4.112380395549800 -0.9034571452026933E-07
|
|
4.120790171409820 -0.8621913399682516E-07
|
|
4.129199947269840 -0.8226055227308807E-07
|
|
4.137609723129860 -0.7846537492157982E-07
|
|
4.146019498989880 -0.7482812804137293E-07
|
|
4.154429274849901 -0.7134347732547955E-07
|
|
4.162839050709920 -0.6800625453222134E-07
|
|
4.171248826569940 -0.6481795311956141E-07
|
|
4.179658602429960 -0.6176139812676799E-07
|
|
4.188068378289980 -0.5883577975977477E-07
|
|
4.196478154150000 0.000000000000000
|
|
2 2.5 1 0.6583248648140000 #kb l, j, n (sequence number), Reference energy
|
|
500 0.8409775860020041E-02 4.196478154150000 # npts, delta, cutoff
|
|
0.000000000000000 -1.206912312222515
|
|
0.8409775860020041E-02 -1.206938883672983
|
|
0.1681955172004008E-01 -1.207050143029953
|
|
0.2522932758006012E-01 -1.207235219757123
|
|
0.3363910344008016E-01 -1.207493588761771
|
|
0.4204887930010021E-01 -1.207824514848240
|
|
0.5045865516012024E-01 -1.208227054248188
|
|
0.5886843102014028E-01 -1.208700055925912
|
|
0.6727820688016033E-01 -1.209242163243579
|
|
0.7568798274018036E-01 -1.209851815849940
|
|
0.8409775860020041E-01 -1.210527251749883
|
|
0.9250753446022045E-01 -1.211266509689502
|
|
0.1009173103202405 -1.212067431996031
|
|
0.1093270861802605 -1.212927667156030
|
|
0.1177368620402806 -1.213844673553543
|
|
0.1261466379003006 -1.214815722468016
|
|
0.1345564137603207 -1.215837902039957
|
|
0.1429661896203407 -1.216908121327933
|
|
0.1513759654803607 -1.218023114135440
|
|
0.1597857413403808 -1.219179443963919
|
|
0.1681955172004008 -1.220373508571883
|
|
0.1766052930604209 -1.221601544695400
|
|
0.1850150689204409 -1.222859633618032
|
|
0.1934248447804609 -1.224143706097766
|
|
0.2018346206404810 -1.225449548551324
|
|
0.2102443965005010 -1.226772808225838
|
|
0.2186541723605211 -1.228108999750559
|
|
0.2270639482205411 -1.229453511029736
|
|
0.2354737240805611 -1.230801609764650
|
|
0.2438834999405812 -1.232148449957061
|
|
0.2522932758006012 -1.233489078797458
|
|
0.2607030516606212 -1.234818443367727
|
|
0.2691128275206413 -1.236131397705370
|
|
0.2775226033806614 -1.237422710199384
|
|
0.2859323792406814 -1.238687070789515
|
|
0.2943421551007014 -1.239919098310043
|
|
0.3027519309607214 -1.241113348290901
|
|
0.3111617068207415 -1.242264320467312
|
|
0.3195714826807616 -1.243366466542300
|
|
0.3279812585407816 -1.244414198137731
|
|
0.3363910344008016 -1.245401894762555
|
|
0.3448008102608217 -1.246323911577502
|
|
0.3532105861208417 -1.247174587775315
|
|
0.3616203619808618 -1.247948254337678
|
|
0.3700301378408818 -1.248639242383663
|
|
0.3784399137009019 -1.249241891322978
|
|
0.3868496895609219 -1.249750556810383
|
|
0.3952594654209419 -1.250159619260823
|
|
0.4036692412809619 -1.250463491519074
|
|
0.4120790171409820 -1.250656627522056
|
|
0.4204887930010021 -1.250733529866641
|
|
0.4288985688610221 -1.250688758317450
|
|
0.4373083447210421 -1.250516937428850
|
|
0.4457181205810621 -1.250212764784116
|
|
0.4541278964410822 -1.249771018475407
|
|
0.4625376723011023 -1.249186565230883
|
|
0.4709474481611223 -1.248454367829904
|
|
0.4793572240211423 -1.247569492582581
|
|
0.4877669998811623 -1.246527117034959
|
|
0.4961767757411824 -1.245322536846294
|
|
0.5045865516012025 -1.243951173299880
|
|
0.5129963274612225 -1.242408579955712
|
|
0.5214061033212425 -1.240690449598320
|
|
0.5298158791812626 -1.238792620850806
|
|
0.5382256550412826 -1.236711084556403
|
|
0.5466354309013026 -1.234441990015368
|
|
0.5550452067613227 -1.231981651013716
|
|
0.5634549826213427 -1.229326551585887
|
|
0.5718647584813628 -1.226473351600272
|
|
0.5802745343413828 -1.223418892061972
|
|
0.5886843102014029 -1.220160200188605
|
|
0.5970940860614229 -1.216694494265382
|
|
0.6055038619214429 -1.213019188128455
|
|
0.6139136377814630 -1.209131895409354
|
|
0.6223234136414830 -1.205030433663329
|
|
0.6307331895015030 -1.200712827978487
|
|
0.6391429653615232 -1.196177314336343
|
|
0.6475527412215432 -1.191422342806412
|
|
0.6559625170815632 -1.186446580288220
|
|
0.6643722929415832 -1.181248913004953
|
|
0.6727820688016033 -1.175828448642896
|
|
0.6811918446616233 -1.170184518194680
|
|
0.6896016205216433 -1.164316677462599
|
|
0.6980113963816634 -1.158224708255733
|
|
0.7064211722416834 -1.151908619157067
|
|
0.7148309481017034 -1.145368646069506
|
|
0.7232407239617236 -1.138605252398580
|
|
0.7316504998217436 -1.131619128799294
|
|
0.7400602756817636 -1.124411192692695
|
|
0.7484700515417836 -1.116982587379033
|
|
0.7568798274018037 -1.109334680812816
|
|
0.7652896032618237 -1.101469064109793
|
|
0.7736993791218437 -1.093387549514832
|
|
0.7821091549818638 -1.085092168337668
|
|
0.7905189308418838 -1.076585168263395
|
|
0.7989287067019039 -1.067869010474420
|
|
0.8073384825619239 -1.058946366456433
|
|
0.8157482584219440 -1.049820114416782
|
|
0.8241580342819640 -1.040493335420860
|
|
0.8325678101419840 -1.030969309199194
|
|
0.8409775860020041 -1.021251509692778
|
|
0.8493873618620241 -1.011343600245113
|
|
0.8577971377220441 -1.001249428525657
|
|
0.8662069135820643 -0.9909730212005028
|
|
0.8746166894420843 -0.9805185782805960
|
|
0.8830264653021043 -0.9698904672455849
|
|
0.8914362411621243 -0.9590932168981872
|
|
0.8998460170221444 -0.9481315109858122
|
|
0.9082557928821644 -0.9370101816065290
|
|
0.9166655687421844 -0.9257342023739549
|
|
0.9250753446022045 -0.9143086813762532
|
|
0.9334851204622245 -0.9027388539641745
|
|
0.9418948963222445 -0.8910300753974515
|
|
0.9503046721822647 -0.8791878132330420
|
|
0.9587144480422847 -0.8672176396366372
|
|
0.9671242239023047 -0.8551252235948048
|
|
0.9755339997623247 -0.8429163229236852
|
|
0.9839437756223448 -0.8305967762369576
|
|
0.9923535514823648 -0.8181724948306681
|
|
1.000763327342385 -0.8056494545441061
|
|
1.009173103202405 -0.7930336874357560
|
|
1.017582879062425 -0.7803312735385834
|
|
1.025992654922445 -0.7675483328123706
|
|
1.034402430782465 -0.7546910166409956
|
|
1.042812206642485 -0.7417654995989391
|
|
1.051221982502505 -0.7287779715789767
|
|
1.059631758362525 -0.7157346295026799
|
|
1.068041534222545 -0.7026416692825133
|
|
1.076451310082565 -0.6895052780724999
|
|
1.084861085942585 -0.6763316264731680
|
|
1.093270861802605 -0.6631268609283705
|
|
1.101680637662625 -0.6498970963661711
|
|
1.110090413522645 -0.6366484089652014
|
|
1.118500189382665 -0.6233868290571288
|
|
1.126909965242685 -0.6101183344702058
|
|
1.135319741102706 -0.5968488440471754
|
|
1.143729516962726 -0.5835842113572633
|
|
1.152139292822746 -0.5703302187569047
|
|
1.160549068682766 -0.5570925717712053
|
|
1.168958844542786 -0.5438768937842567
|
|
1.177368620402806 -0.5306887210801141
|
|
1.185778396262826 -0.5175334982531306
|
|
1.194188172122846 -0.5044165739666148
|
|
1.202597947982866 -0.4913431970708979
|
|
1.211007723842886 -0.4783185131306920
|
|
1.219417499702906 -0.4653475613338346
|
|
1.227827275562926 -0.4524352718438099
|
|
1.236237051422946 -0.4395864635402323
|
|
1.244646827282966 -0.4268058421020693
|
|
1.253056603142986 -0.4140979985306527
|
|
1.261466379003006 -0.4014674081319610
|
|
1.269876154863026 -0.3889184298358183
|
|
1.278285930723046 -0.3764553058441280
|
|
1.286695706583066 -0.3640821617188105
|
|
1.295105482443086 -0.3518030068657708
|
|
1.303515258303106 -0.3396217352953196
|
|
1.311925034163126 -0.3275421266863563
|
|
1.320334810023146 -0.3155678477853049
|
|
1.328744585883166 -0.3037024540806701
|
|
1.337154361743186 -0.2919493917079301
|
|
1.345564137603207 -0.2803119995667945
|
|
1.353973913463226 -0.2687935116497318
|
|
1.362383689323247 -0.2573970595155352
|
|
1.370793465183267 -0.2461256748689275
|
|
1.379203241043287 -0.2349822922365430
|
|
1.387613016903307 -0.2239697516949030
|
|
1.396022792763327 -0.2130908016314099
|
|
1.404432568623347 -0.2023481014662475
|
|
1.412842344483367 -0.1917442243214529
|
|
1.421252120343387 -0.1812816596158436
|
|
1.429661896203407 -0.1709628155543410
|
|
1.438071672063427 -0.1607900214535400
|
|
1.446481447923447 -0.1507655299021712
|
|
1.454891223783467 -0.1408915187202800
|
|
1.463300999643487 -0.1311700926909476
|
|
1.471710775503507 -0.1216032850573298
|
|
1.480120551363527 -0.1121930587872630
|
|
1.488530327223547 -0.1029413075553968
|
|
1.496940103083567 -0.9384985643530483E-01
|
|
1.505349878943587 -0.8492046232645832E-01
|
|
1.513759654803607 -0.7615481411459912E-01
|
|
1.522169430663627 -0.6755453254513004E-01
|
|
1.530579206523647 -0.5912116983545219E-01
|
|
1.538988982383668 -0.5085620901126982E-01
|
|
1.547398758243687 -0.4276106302171041E-01
|
|
1.555808534103708 -0.3483707362422123E-01
|
|
1.564218309963728 -0.2708551006955521E-01
|
|
1.572628085823748 -0.1950756758432462E-01
|
|
1.581037861683768 -0.1210436571378806E-01
|
|
1.589447637543788 -0.4876946527971140E-02
|
|
1.597857413403808 0.2173727279741581E-02
|
|
1.606267189263828 0.9046774358341621E-02
|
|
1.614676965123848 0.1574139674061781E-01
|
|
1.623086740983868 0.2225688187539914E-01
|
|
1.631496516843888 0.2859260465776655E-01
|
|
1.639906292703908 0.3474802942346501E-01
|
|
1.648316068563928 0.4072271187471321E-01
|
|
1.656725844423948 0.4651630093730593E-01
|
|
1.665135620283968 0.5212854048524675E-01
|
|
1.673545396143988 0.5755927094495197E-01
|
|
1.681955172004008 0.6280843074454767E-01
|
|
1.690364947864028 0.6787605759670109E-01
|
|
1.698774723724048 0.7276228960190886E-01
|
|
1.707184499584068 0.7746736615919902E-01
|
|
1.715594275444088 0.8199162867256028E-01
|
|
1.724004051304108 0.8633552105324616E-01
|
|
1.732413827164129 0.9049959001153371E-01
|
|
1.740823603024148 0.9448448512743786E-01
|
|
1.749233378884169 0.9829095872415522E-01
|
|
1.757643154744189 0.1019198655114638
|
|
1.766052930604209 0.1053721620398507
|
|
1.774462706464229 0.1086489059540972
|
|
1.782872482324249 0.1117512550449412
|
|
1.791282258184269 0.1146804661409291
|
|
1.799692034044289 0.1174378937974706
|
|
1.808101809904309 0.1200249888475457
|
|
1.816511585764329 0.1224432968007536
|
|
1.824921361624349 0.1246944560967406
|
|
1.833331137484369 0.1267801962420531
|
|
1.841740913344389 0.1287023358372264
|
|
1.850150689204409 0.1304627804859022
|
|
1.858560465064429 0.1320635206330268
|
|
1.866970240924449 0.1335066293213512
|
|
1.875380016784469 0.1347942598705298
|
|
1.883789792644489 0.1359286435167535
|
|
1.892199568504509 0.1369120869902209
|
|
1.900609344364529 0.1377469700648216
|
|
1.909019120224549 0.1384357430628544
|
|
1.917428896084569 0.1389809243599356
|
|
1.925838671944589 0.1393850978413116
|
|
1.934248447804609 0.1396509103788635
|
|
1.942658223664629 0.1397810692307092
|
|
1.951067999524649 0.1397783394809550
|
|
1.959477775384669 0.1396455415687339
|
|
1.967887551244690 0.1393855485265095
|
|
1.976297327104710 0.1390012837564999
|
|
1.984707102964730 0.1384957172173336
|
|
1.993116878824750 0.1378718652358208
|
|
2.001526654684770 0.1371327852593122
|
|
2.009936430544790 0.1362815787990973
|
|
2.018346206404810 0.1353213774843643
|
|
2.026755982264830 0.1342553514388739
|
|
2.035165758124850 0.1330866860156625
|
|
2.043575533984870 0.1318186204656196
|
|
2.051985309844890 0.1304544124469180
|
|
2.060395085704910 0.1289973717546358
|
|
2.068804861564930 0.1274507863476113
|
|
2.077214637424950 0.1258179612652797
|
|
2.085624413284970 0.1241022118523365
|
|
2.094034189144990 0.1223068693680370
|
|
2.102443965005010 0.1204353054687707
|
|
2.110853740865030 0.1184908755166204
|
|
2.119263516725050 0.1164770594950095
|
|
2.127673292585071 0.1143973804727947
|
|
2.136083068445090 0.1122554854196406
|
|
2.144492844305110 0.1100550241415720
|
|
2.152902620165130 0.1077997030054057
|
|
2.161312396025151 0.1054932700663980
|
|
2.169722171885171 0.1031394923762650
|
|
2.178131947745190 0.1007421645737233
|
|
2.186541723605210 0.9830506634058601E-01
|
|
2.194951499465231 0.9583201733411437E-01
|
|
2.203361275325251 0.9332684674658986E-01
|
|
2.211771051185271 0.9079339398225211E-01
|
|
2.220180827045291 0.8823551980613262E-01
|
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2.892962895846894 0.8303832408801540E-04
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2.918192223426954 0.8289325168645994E-04
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2.926601999286974 0.8258528073227405E-04
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2.935011775146994 0.8215631090220192E-04
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2.951831326867034 0.8098794524490504E-04
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2.960241102727054 0.8017587632810834E-04
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2.977060654447095 0.7807535272865863E-04
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2.985470430307115 0.7719237718951250E-04
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2.993880206167134 0.7641274531564287E-04
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3.002289982027154 0.7566615503966165E-04
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3.010699757887175 0.7482128002168071E-04
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3.019109533747195 0.7412546110224949E-04
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3.086387740627355 0.4660187445749513E-04
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3.094797516487375 0.4396655521717125E-04
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3.103207292347395 0.4120996713875859E-04
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3.111617068207415 0.3862367347301672E-04
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3.120026844067435 0.3615705495033917E-04
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3.128436619927455 0.3364006250183276E-04
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3.136846395787475 0.3135387898841916E-04
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3.145256171647495 0.2919141005727326E-04
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3.153665947507515 0.2715248403248896E-04
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3.162075723367535 0.2523657694754304E-04
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3.170485499227556 0.2346254224337231E-04
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3.178895275087576 0.2177636147075888E-04
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3.187305050947595 0.2019216684170100E-04
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3.195714826807615 0.1870485136707716E-04
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3.204124602667636 0.1730948400857154E-04
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3.212534378527656 0.1600131272809268E-04
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3.220944154387676 0.1477575939389922E-04
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3.229353930247695 0.1362842851133687E-04
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3.237763706107716 0.1255510018916343E-04
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3.246173481967736 0.1155172949855173E-04
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3.254583257827756 0.1061444524677644E-04
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3.262993033687776 0.9739540656783852E-05
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3.271402809547796 0.8923479894050475E-05
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3.279812585407816 0.8162887543797296E-05
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3.288222361267836 0.7454545909226299E-05
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3.296632137127856 0.6795391144662239E-05
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3.305041912987876 0.6182505765988349E-05
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3.313451688847896 0.5613118517271773E-05
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3.321861464707916 0.5084596383966828E-05
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3.330271240567936 0.4594441437040198E-05
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3.338681016427956 0.4140281449362259E-05
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3.347090792287976 0.3719871532988396E-05
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3.355500568147996 0.3331085258250923E-05
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3.363910344008016 0.2971910635307541E-05
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3.372320119868037 0.2640445517984489E-05
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3.380729895728056 0.2334891936562403E-05
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3.389139671588076 0.2053552837236663E-05
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3.397549447448097 0.1794826704309505E-05
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3.405959223308117 0.1557203317024850E-05
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3.414368999168137 0.1339259945996673E-05
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3.422778775028156 0.1139655102640813E-05
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3.431188550888177 0.9571275950756993E-06
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3.439598326748197 0.7904907661197185E-06
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3.448008102608217 0.6386291363028484E-06
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3.456417878468237 0.5004947763864441E-06
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3.464827654328257 0.3751040159882156E-06
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3.473237430188277 0.2615331895779311E-06
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3.481647206048297 0.1589168767110412E-06
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3.490056981908317 0.6644384838182898E-07
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3.498466757768337 -0.1664566226242479E-07
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3.506876533628357 -0.9106268356517187E-07
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3.565744964648497 -0.4198723232355246E-06
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3.574154740508517 -0.4455122524591519E-06
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3.582564516368537 -0.4670986027213794E-06
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3.616203619808617 -0.5196281817940184E-06
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3.633023171528658 -0.5296629724325271E-06
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3.641432947388678 -0.5314941755500226E-06
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3.649842723248698 -0.5314829622897598E-06
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3.666662274968738 -0.5266893590427503E-06
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3.683481826688778 -0.5166480840466079E-06
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3.708711154268838 -0.4942354607285642E-06
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3.717120930128858 -0.4852834408291158E-06
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3.775989361148998 -0.4111640175220995E-06
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3.784399137009018 -0.3997586688976133E-06
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3.792808912869039 -0.3883088270568481E-06
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3.801218688729059 -0.3768550307127353E-06
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3.809628464589078 -0.3654335732911328E-06
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3.818038240449098 -0.3540768326591414E-06
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3.826448016309119 -0.3428136132140133E-06
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3.834857792169139 -0.3316692847356234E-06
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3.851677343889178 -0.3098242046163870E-06
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3.860087119749199 -0.2991600814113139E-06
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3.868496895609219 -0.2886885894147406E-06
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3.876906671469239 -0.2784222494138296E-06
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3.885316447329259 -0.2683716270580102E-06
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3.893726223189279 -0.2585454824206552E-06
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3.902135999049299 -0.2489509459686428E-06
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3.910545774909319 -0.2395936636979573E-06
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3.918955550769339 -0.2304779654515377E-06
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3.927365326629359 -0.2216068667926668E-06
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3.935775102489379 -0.2129823772856652E-06
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3.944184878349399 -0.2046054910754125E-06
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3.952594654209419 -0.1964763153488075E-06
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3.961004430069439 -0.1885941637834998E-06
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3.969414205929459 -0.1809576608349138E-06
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3.977823981789479 -0.1735647446549272E-06
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3.986233757649499 -0.1664128559706331E-06
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3.994643533509520 -0.1594989312424114E-06
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4.003053309369539 -0.1528194809458544E-06
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4.011463085229559 -0.1463706455936166E-06
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4.028282636949600 -0.1341478583399838E-06
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4.036692412809620 -0.1283647388278438E-06
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4.045102188669640 -0.1227940505959997E-06
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4.053511964529660 -0.1174307707723486E-06
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4.061921740389680 -0.1122697532555594E-06
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4.070331516249699 -0.1073059865340061E-06
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4.078741292109719 -0.1025336625643050E-06
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4.087151067969740 -0.9794763453589357E-07
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4.095560843829760 -0.9354253376033741E-07
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4.103970619689780 -0.8931299827010952E-07
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4.112380395549800 -0.8525368916357757E-07
|
|
4.120790171409820 -0.8136042018378150E-07
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|
4.129199947269840 -0.7762561075738323E-07
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4.137609723129860 -0.7404492952074570E-07
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|
4.146019498989880 -0.7061321562555066E-07
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4.154429274849901 -0.6732543968706150E-07
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4.162839050709920 -0.6417672876267128E-07
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4.171248826569940 -0.6116849567257053E-07
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4.179658602429960 -0.5828453734366537E-07
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|
4.188068378289980 -0.5552409271706448E-07
|
|
4.196478154150000 0.000000000000000
|
|
3 2.5 1 -1.1239195315499448 #kb l, j, n (sequence number), Reference energy
|
|
500 0.8840962247575150E-02 4.411640161540000 # npts, delta, cutoff
|
|
0.000000000000000 -1.352098703838124
|
|
0.8840962247575150E-02 -1.352203343883019
|
|
0.1768192449515030E-01 -1.352185287853979
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0.2652288674272545E-01 -1.352154925945383
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0.3536384899030060E-01 -1.352111903413578
|
|
0.4420481123787575E-01 -1.352055717560862
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0.5304577348545091E-01 -1.351985721919216
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0.6188673573302605E-01 -1.351901128186414
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0.7072769798060120E-01 -1.351801007662124
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0.7956866022817635E-01 -1.351684293119260
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0.8840962247575150E-01 -1.351549780624151
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0.9725058472332665E-01 -1.351396131748796
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0.1060915469709018 -1.351221875901601
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0.1149325092184770 -1.351025413020370
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0.1237734714660521 -1.350805016326855
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0.1326144337136272 -1.350558835371132
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0.1414553959612024 -1.350284899415557
|
|
0.1502963582087776 -1.349981120811065
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0.1591373204563527 -1.349645298872737
|
|
0.1679782827039279 -1.349275123639285
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0.1768192449515030 -1.348868180177629
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0.1856602071990782 -1.348421952788461
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0.1945011694466533 -1.347933829372963
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|
0.2033421316942285 -1.347401106579174
|
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0.2121830939418036 -1.346820994125426
|
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0.2210240561893788 -1.346190620154390
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0.2298650184369539 -1.345507036424584
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0.2387059806845291 -1.344767223538885
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0.2475469429321042 -1.343968096442575
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0.2563879051796794 -1.343106510141505
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0.2652288674272545 -1.342179265389281
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|
0.2740698296748297 -1.341183114501417
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0.2829107919224048 -1.340114767508479
|
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0.2917517541699799 -1.338970897978637
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0.3005927164175551 -1.337748149338889
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0.3094336786651303 -1.336443141101524
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0.3182746409127054 -1.335052475088367
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|
0.3271156031602805 -1.333572741871323
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|
0.3359565654078557 -1.332000527176590
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|
0.3447975276554309 -1.330332418240252
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0.3536384899030060 -1.328565010447392
|
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0.3624794521505812 -1.326694913651900
|
|
0.3713204143981563 -1.324718758722808
|
|
0.3801613766457315 -1.322633204114070
|
|
0.3890023388933066 -1.320434942178735
|
|
0.3978433011408818 -1.318120705745113
|
|
0.4066842633884569 -1.315687274444059
|
|
0.4155252256360321 -1.313131481062721
|
|
0.4243661878836072 -1.310450217807882
|
|
0.4332071501311824 -1.307640442599855
|
|
0.4420481123787575 -1.304699185103826
|
|
0.4508890746263327 -1.301623552761581
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3.085495824403727 0.2343857757175727E-04
|
|
3.094336786651303 0.2205978695548993E-04
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3.103177748898878 0.2063472338247750E-04
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3.112018711146453 0.1930006081521685E-04
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3.120859673394028 0.1802725356302428E-04
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3.129700635641603 0.1673087833400273E-04
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3.138541597889178 0.1555542083996575E-04
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|
3.147382560136754 0.1444574357627163E-04
|
|
3.156223522384329 0.1340196249603403E-04
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3.165064484631904 0.1242374043073303E-04
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3.173905446879479 0.1151897373599832E-04
|
|
3.182746409127054 0.1066022335898508E-04
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3.191587371374629 0.9855006844808435E-05
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3.200428333622205 0.9100577030170852E-05
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3.209269295869780 0.8394282642698439E-05
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3.218110258117355 0.7733567088267042E-05
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3.226951220364930 0.7115973004479659E-05
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3.235792182612505 0.6539139931355810E-05
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3.244633144860080 0.6000804311306349E-05
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3.253474107107655 0.5498799181956037E-05
|
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3.262315069355231 0.5031049870196893E-05
|
|
3.271156031602806 0.4595577079840643E-05
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3.279996993850381 0.4190491906782287E-05
|
|
3.288837956097956 0.3813994674054616E-05
|
|
3.297678918345531 0.3464371222646162E-05
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|
3.306519880593106 0.3139992410360705E-05
|
|
3.315360842840681 0.2839310311499903E-05
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|
3.324201805088256 0.2560855769656121E-05
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3.333042767335832 0.2303236140338137E-05
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3.341883729583407 0.2065130358271749E-05
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3.350724691830982 0.1845289469030015E-05
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|
3.359565654078557 0.1642531783676907E-05
|
|
3.368406616326132 0.1455740556643094E-05
|
|
3.377247578573707 0.1283861315075242E-05
|
|
3.386088540821282 0.1125898776531476E-05
|
|
3.394929503068858 0.9809147657508025E-06
|
|
3.403770465316433 0.8480252314357409E-06
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3.412611427564008 0.7263977847602048E-06
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3.421452389811583 0.6152494363506451E-06
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3.430293352059159 0.5138432275027970E-06
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3.439134314306734 0.4214874784266031E-06
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3.447975276554309 0.3375325131806090E-06
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3.456816238801884 0.2613687300337148E-06
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3.465657201049459 0.1924246043309814E-06
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3.474498163297034 0.1301642482613917E-06
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3.483339125544609 0.7408618780980287E-07
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3.492180087792184 0.2372103865733496E-07
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3.501021050039760 -0.2137010203269103E-07
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3.509862012287335 -0.6159759426835825E-07
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3.518702974534910 -0.9734452477443902E-07
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3.527543936782485 -0.1289684717425280E-06
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3.819295690952465 -0.1971780163959315E-06
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3.828136653200040 -0.1908234908461783E-06
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3.836977615447615 -0.1845277080452277E-06
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3.872341464437916 -0.1601958234860781E-06
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3.898864351180642 -0.1431105521515838E-06
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3.960751086913668 -0.1079695728597458E-06
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3.969592049161243 -0.1035172263709083E-06
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3.978433011408818 -0.9920690546006255E-07
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3.987273973656393 -0.9503749800823366E-07
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3.996114935903968 -0.9100753584590002E-07
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4.004955898151543 -0.8711524579814537E-07
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4.013796860399118 -0.8335858861211224E-07
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4.022637822646693 -0.7973528759842110E-07
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4.031478784894269 -0.7624289077362795E-07
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4.049160709389419 -0.6964009708994883E-07
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4.058001671636994 -0.6652402339701893E-07
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4.066842633884569 -0.6352753992664626E-07
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4.075683596132144 -0.6064759437168159E-07
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4.084524558379719 -0.5788102455388002E-07
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4.093365520627295 -0.5522468523753680E-07
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4.102206482874870 -0.5267538989925640E-07
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4.111047445122445 -0.5022994179382695E-07
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4.119888407370020 -0.4788514380627007E-07
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4.128729369617595 -0.4563781795539098E-07
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4.137570331865170 -0.4348480140387969E-07
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4.146411294112745 -0.4142296308213030E-07
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4.155252256360320 -0.3944920898063876E-07
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4.164093218607896 -0.3756048842198614E-07
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4.172934180855471 -0.3575380160970412E-07
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4.181775143103046 -0.3402619537844666E-07
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4.208298029845771 -0.2928926917137128E-07
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4.234820916588497 -0.2516380485185126E-07
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4.243661878836072 -0.2391240118237643E-07
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4.261343803331222 -0.2158058572612407E-07
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4.279025727826373 -0.1946147654704241E-07
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4.287866690073948 -0.1847618457127726E-07
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4.296707652321524 -0.1753762818621901E-07
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4.305548614569099 -0.1664381243685986E-07
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4.314389576816674 -0.1579281238902035E-07
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4.323230539064249 -0.1498277194703467E-07
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4.332071501311824 -0.1421200064021932E-07
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4.340912463559399 -0.1347857085255815E-07
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4.349753425806974 -0.1278089985675883E-07
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4.358594388054549 -0.1211738825360436E-07
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4.367435350302125 -0.1148650191810817E-07
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4.376276312549700 -0.1088677157698592E-07
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4.385117274797275 -0.1031668912778566E-07
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4.393958237044850 -0.9775111948618898E-08
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|
4.402799199292425 -0.9260703705535637E-08
|
|
4.411640161540000 0.000000000000000
|
|
3 3.5 1 -1.1155896455801468 #kb l, j, n (sequence number), Reference energy
|
|
500 0.8840962247575150E-02 4.411640161540000 # npts, delta, cutoff
|
|
0.000000000000000 -1.345780248051407
|
|
0.8840962247575150E-02 -1.345884708795874
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|
0.1768192449515030E-01 -1.345867769629541
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0.3536384899030060E-01 -1.345798855626933
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0.4420481123787575E-01 -1.345746025406953
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0.5304577348545091E-01 -1.345680134300935
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0.6188673573302605E-01 -1.345600395898893
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0.7072769798060120E-01 -1.345505883719329
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0.7956866022817635E-01 -1.345395533070977
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0.8840962247575150E-01 -1.345268142862249
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0.9725058472332665E-01 -1.345122377801267
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0.1060915469709018 -1.344956770713433
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0.1149325092184770 -1.344769725219611
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0.1237734714660521 -1.344559518475012
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0.1326144337136272 -1.344324304196408
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0.1414553959612024 -1.344062116027553
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0.1502963582087776 -1.343770870896702
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0.1591373204563527 -1.343448372871014
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0.1679782827039279 -1.343092316894537
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0.1768192449515030 -1.342700293070276
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0.1856602071990782 -1.342269790842405
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0.1945011694466533 -1.341798203338065
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0.2033421316942285 -1.341282832488370
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0.2121830939418036 -1.340720893325974
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0.2210240561893788 -1.340109519312237
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0.2298650184369539 -1.339445767500746
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0.2387059806845291 -1.338726623737800
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0.2475469429321042 -1.337949008131833
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0.2563879051796794 -1.337109780742159
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0.2652288674272545 -1.336205747236585
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0.2740698296748297 -1.335233664675527
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0.2829107919224048 -1.334190247634874
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0.2917517541699799 -1.333072173998360
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0.3005927164175551 -1.331876091247673
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0.3094336786651303 -1.330598622658962
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0.3182746409127054 -1.329236373496110
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0.3271156031602805 -1.327785937420991
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0.3359565654078557 -1.326243902867422
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0.3447975276554309 -1.324606859366992
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0.3536384899030060 -1.322871404158156
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0.3624794521505812 -1.321034148477658
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0.3713204143981563 -1.319091724077616
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0.3801613766457315 -1.317040789767636
|
|
0.3890023388933066 -1.314878037701795
|
|
0.3978433011408818 -1.312600199928013
|
|
0.4066842633884569 -1.310204054689996
|
|
0.4155252256360321 -1.307686432756087
|
|
0.4243661878836072 -1.305044223658969
|
|
0.4332071501311824 -1.302274381966934
|
|
0.4420481123787575 -1.299373933293840
|
|
0.4508890746263327 -1.296339980310566
|
|
0.4597300368739078 -1.293169708783880
|
|
0.4685709991214830 -1.289860393167711
|
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0.4774119613690581 -1.286409402412112
|
|
0.4862529236166332 -1.282814205451324
|
|
0.4950938858642084 -1.279072376546816
|
|
0.5039348481117836 -1.275181600537856
|
|
0.5127758103593587 -1.271139677930068
|
|
0.5216167726069338 -1.266944529691359
|
|
0.5304577348545090 -1.262594202010980
|
|
0.5392986971020842 -1.258086870795324
|
|
0.5481396593496594 -1.253420845906276
|
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0.5569806215972345 -1.248594575332296
|
|
0.5658215838448096 -1.243606648937307
|
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0.5746625460923848 -1.238455802219996
|
|
0.5835035083399599 -1.233140919599272
|
|
0.5923444705875350 -1.227661037653611
|
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0.6011854328351103 -1.222015347995356
|
|
0.6100263950826854 -1.216203199897822
|
|
0.6188673573302605 -1.210224102723997
|
|
0.6277083195778357 -1.204077728073023
|
|
0.6365492818254108 -1.197763911577990
|
|
0.6453902440729860 -1.191282654546768
|
|
0.6542312063205611 -1.184634125206858
|
|
0.6630721685681363 -1.177818659792217
|
|
0.6719131308157115 -1.170836763248009
|
|
0.6807540930632866 -1.163689109672850
|
|
0.6895950553108617 -1.156376542512760
|
|
0.6984360175584369 -1.148900074449560
|
|
0.7072769798060120 -1.141260886942945
|
|
0.7161179420535871 -1.133460329568802
|
|
0.7249589043011624 -1.125499919043730
|
|
0.7337998665487375 -1.117381337927361
|
|
0.7426408287963127 -1.109106433083716
|
|
0.7514817910438878 -1.100677213833510
|
|
0.7603227532914629 -1.092095849857222
|
|
0.7691637155390381 -1.083364668807014
|
|
0.7780046777866132 -1.074486153615710
|
|
0.7868456400341884 -1.065462939635856
|
|
0.7956866022817636 -1.056297811388961
|
|
0.8045275645293387 -1.046993699193730
|
|
0.8133685267769138 -1.037553675444775
|
|
0.8222094890244890 -1.027980950709793
|
|
0.8310504512720641 -1.018278869574206
|
|
0.8398914135196393 -1.008450906259017
|
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0.8487323757672145 -0.9985006600421356
|
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0.8575733380147896 -0.9884318504729919
|
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0.8664143002623648 -0.9782483123603767
|
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0.8752552625099399 -0.9679539906023410
|
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0.8840962247575150 -0.9575529348488526
|
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0.8929371870050902 -0.9470492939745534
|
|
0.9017781492526653 -0.9364473104123329
|
|
0.9106191115002404 -0.9257513143612802
|
|
0.9194600737478157 -0.9149657178384720
|
|
0.9283010359953908 -0.9040950086208401
|
|
0.9371419982429660 -0.8931437441111375
|
|
0.9459829604905411 -0.8821165450949975
|
|
0.9548239227381162 -0.8710180893841837
|
|
0.9636648849856914 -0.8598531054820946
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0.9725058472332665 -0.8486263661309907
|
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0.9813468094808417 -0.8373426818365197
|
|
0.9901877717284169 -0.8260068943979566
|
|
0.9990287339759920 -0.8146238704310569
|
|
1.007869696223567 -0.8031984948573452
|
|
1.016710658471142 -0.7917356643952569
|
|
1.025551620718717 -0.7802402813343002
|
|
1.034392582966293 -0.7687172469903226
|
|
1.043233545213868 -0.7571714553642319
|
|
1.052074507461443 -0.7456077871511222
|
|
1.060915469709018 -0.7340311034843340
|
|
1.069756431956593 -0.7224462399100611
|
|
1.078597394204168 -0.7108580005965812
|
|
1.087438356451744 -0.6992711525723757
|
|
1.096279318699319 -0.6876904201597832
|
|
1.105120280946894 -0.6761204796281524
|
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1.113961243194469 -0.6645659539033830
|
|
1.122802205442044 -0.6530314075419132
|
|
1.131643167689619 -0.6415213420346175
|
|
1.140484129937194 -0.6300401911842350
|
|
1.149325092184770 -0.6185923167450362
|
|
1.158166054432345 -0.6071820043467232
|
|
1.167007016679920 -0.5958134596596205
|
|
1.175847978927495 -0.5844908048201026
|
|
1.184688941175070 -0.5732180751584933
|
|
1.193529903422645 -0.5619992161941658
|
|
1.202370865670221 -0.5508380808992444
|
|
1.211211827917796 -0.5397384272734060
|
|
1.220052790165371 -0.5287039162099854
|
|
1.228893752412946 -0.5177381096934626
|
|
1.237734714660521 -0.5068444692840978
|
|
1.246575676908096 -0.4960263548562355
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3.819295690952465 -0.1981073825700506E-06
|
|
3.828136653200040 -0.1917229099416438E-06
|
|
3.836977615447615 -0.1853974566234926E-06
|
|
3.845818577695190 -0.1791456001834640E-06
|
|
3.854659539942765 -0.1729800863428511E-06
|
|
3.863500502190341 -0.1669119993377043E-06
|
|
3.872341464437916 -0.1609508993026991E-06
|
|
3.881182426685491 -0.1551049718169994E-06
|
|
3.890023388933066 -0.1493811220249458E-06
|
|
3.898864351180642 -0.1437851053301269E-06
|
|
3.907705313428217 -0.1383216281588423E-06
|
|
3.916546275675792 -0.1329944450996158E-06
|
|
3.925387237923367 -0.1278064625070560E-06
|
|
3.934228200170942 -0.1227597615850192E-06
|
|
3.943069162418517 -0.1178557717554833E-06
|
|
3.951910124666092 -0.1130952780393086E-06
|
|
3.960751086913668 -0.1084785018189456E-06
|
|
3.969592049161243 -0.1040051703094352E-06
|
|
3.978433011408818 -0.9967453366999063E-07
|
|
3.987273973656393 -0.9548547454958740E-07
|
|
3.996114935903968 -0.9143651786805278E-07
|
|
4.004955898151543 -0.8752588210177427E-07
|
|
4.013796860399118 -0.8375151839463250E-07
|
|
4.022637822646693 -0.8011113933438830E-07
|
|
4.031478784894269 -0.7660228138818793E-07
|
|
4.040319747141844 -0.7322228773913133E-07
|
|
4.049160709389419 -0.6996836577292373E-07
|
|
4.058001671636994 -0.6683760452593299E-07
|
|
4.066842633884569 -0.6382699712599776E-07
|
|
4.075683596132144 -0.6093347688488885E-07
|
|
4.084524558379719 -0.5815386672509454E-07
|
|
4.093365520627295 -0.5548500659109748E-07
|
|
4.102206482874870 -0.5292369494475993E-07
|
|
4.111047445122445 -0.5046671997762304E-07
|
|
4.119888407370020 -0.4811086950939400E-07
|
|
4.128729369617595 -0.4585295058349807E-07
|
|
4.137570331865170 -0.4368978545829927E-07
|
|
4.146411294112745 -0.4161822830934466E-07
|
|
4.155252256360320 -0.3963517054670876E-07
|
|
4.164093218607896 -0.3773754711655296E-07
|
|
4.172934180855471 -0.3592234408557612E-07
|
|
4.181775143103046 -0.3418659437120746E-07
|
|
4.190616105350621 -0.3252739533883487E-07
|
|
4.199457067598196 -0.3094190351710213E-07
|
|
4.208298029845771 -0.2942733938653507E-07
|
|
4.217138992093346 -0.2798098965912535E-07
|
|
4.225979954340922 -0.2660021732251801E-07
|
|
4.234820916588497 -0.2528242838979111E-07
|
|
4.243661878836072 -0.2402512579685554E-07
|
|
4.252502841083647 -0.2282587626202729E-07
|
|
4.261343803331222 -0.2168231847325611E-07
|
|
4.270184765578797 -0.2059216311336433E-07
|
|
4.279025727826373 -0.1955322003664461E-07
|
|
4.287866690073948 -0.1856328347797005E-07
|
|
4.296707652321524 -0.1762030280509068E-07
|
|
4.305548614569099 -0.1672227366032079E-07
|
|
4.314389576816674 -0.1586726203676913E-07
|
|
4.323230539064249 -0.1505340309045748E-07
|
|
4.332071501311824 -0.1427899838314090E-07
|
|
4.340912463559399 -0.1354211121295758E-07
|
|
4.349753425806974 -0.1284115139275652E-07
|
|
4.358594388054549 -0.1217451198471543E-07
|
|
4.367435350302125 -0.1154065163287599E-07
|
|
4.376276312549700 -0.1093809413863148E-07
|
|
4.385117274797275 -0.1036532429294996E-07
|
|
4.393958237044850 -0.9821194084827750E-08
|
|
4.402799199292425 -0.9304360882579925E-08
|
|
4.411640161540000 0.000000000000000
|
|
# Vna:__________________________
|
|
500 0.1871649061966385E-01 9.339528819212264 # npts, delta, cutoff
|
|
0.000000000000000 -2.939758256794247
|
|
0.1871649061966385E-01 -2.939419313079285
|
|
0.3743298123932771E-01 -2.938402656336727
|
|
0.5614947185899156E-01 -2.936708809762337
|
|
0.7486596247865542E-01 -2.934338645311481
|
|
0.9358245309831927E-01 -2.931293383641699
|
|
0.1122989437179831 -2.927574594030729
|
|
0.1310154343376470 -2.923184194267940
|
|
0.1497319249573108 -2.918124450515992
|
|
0.1684484155769747 -2.912397977141993
|
|
0.1871649061966385 -2.906007736511600
|
|
0.2058813968163024 -2.898957038744972
|
|
0.2245978874359663 -2.891249541426644
|
|
0.2433143780556301 -2.882889249268668
|
|
0.2620308686752940 -2.873880513712461
|
|
0.2807473592949578 -2.864228032479172
|
|
0.2994638499146217 -2.853936849035447
|
|
0.3181803405342855 -2.843012351996055
|
|
0.3368968311539494 -2.831460274432453
|
|
0.3556133217736132 -2.819286693086124
|
|
0.3743298123932771 -2.806498027477667
|
|
0.3930463030129409 -2.793101038897939
|
|
0.4117627936326048 -2.779102829275568
|
|
0.4304792842522686 -2.764510839891917
|
|
0.4491957748719325 -2.749332849951819
|
|
0.4679122654915964 -2.733576974981588
|
|
0.4866287561112602 -2.717251665044667
|
|
0.5053452467309241 -2.700365702755984
|
|
0.5240617373505879 -2.682928201077731
|
|
0.5427782279702518 -2.664948600893505
|
|
0.5614947185899156 -2.646436668316620
|
|
0.5802112092095795 -2.627402491738450
|
|
0.5989276998292433 -2.607856478583955
|
|
0.6176441904489072 -2.587809351761025
|
|
0.6363606810685710 -2.567272145781243
|
|
0.6550771716882349 -2.546256202526428
|
|
0.6737936623078987 -2.524773166651952
|
|
0.6925101529275626 -2.502834980600412
|
|
0.7112266435472264 -2.480453879187299
|
|
0.7299431341668903 -2.457642383783759
|
|
0.7486596247865541 -2.434413296012792
|
|
0.7673761154062180 -2.410779690999278
|
|
0.7860926060258818 -2.386754910112166
|
|
0.8048090966455457 -2.362352553199553
|
|
0.8235255872652095 -2.337586470299009
|
|
0.8422420778848734 -2.312470752799379
|
|
0.8609585685045372 -2.287019724046916
|
|
0.8796750591242011 -2.261247929368438
|
|
0.8983915497438650 -2.235170125531233
|
|
0.9171080403635289 -2.208801269597725
|
|
0.9358245309831927 -2.182156507185137
|
|
0.9545410216028566 -2.155251160122379
|
|
0.9732575122225204 -2.128100713522442
|
|
0.9919740028421843 -2.100720802239149
|
|
1.010690493461848 -2.073127196720498
|
|
1.029406984081512 -2.045335788368405
|
|
1.048123474701176 -2.017362574173542
|
|
1.066839965320840 -1.989223640949463
|
|
1.085556455940504 -1.960935149015153
|
|
1.104272946560167 -1.932513315296762
|
|
1.122989437179831 -1.903974395978272
|
|
1.141705927799495 -1.875334668931211
|
|
1.160422418419159 -1.846610415346745
|
|
1.179138909038823 -1.817817901412186
|
|
1.197855399658487 -1.788973359445686
|
|
1.216571890278151 -1.760092968804165
|
|
1.235288380897814 -1.731192836764587
|
|
1.254004871517478 -1.702288978966230
|
|
1.272721362137142 -1.673397300007751
|
|
1.291437852756806 -1.644533573907365
|
|
1.310154343376470 -1.615713424650748
|
|
1.328870833996134 -1.586952306735876
|
|
1.347587324615797 -1.558265486019138
|
|
1.366303815235461 -1.529668020714825
|
|
1.385020305855125 -1.501174742636316
|
|
1.403736796474789 -1.472800238869955
|
|
1.422453287094453 -1.444558833793523
|
|
1.441169777714117 -1.416464571648725
|
|
1.459886268333781 -1.388531199477273
|
|
1.478602758953445 -1.360772150815330
|
|
1.497319249573108 -1.333200529890315
|
|
1.516035740192772 -1.305829096510097
|
|
1.534752230812436 -1.278670251636504
|
|
1.553468721432100 -1.251736023770551
|
|
1.572185212051764 -1.225038056057798
|
|
1.590901702671428 -1.198587594168811
|
|
1.609618193291091 -1.172395475072471
|
|
1.628334683910755 -1.146472116650186
|
|
1.647051174530419 -1.120827508115275
|
|
1.665767665150083 -1.095471201158953
|
|
1.684484155769747 -1.070412302229168
|
|
1.703200646389411 -1.045659465533008
|
|
1.721917137009074 -1.021220886952084
|
|
1.740633627628738 -0.9971042988341084
|
|
1.759350118248402 -0.9733169656247648
|
|
1.778066608868066 -0.9498656803802975
|
|
1.796783099487730 -0.9267567621668337
|
|
1.815499590107394 -0.9039960542741737
|
|
1.834216080727058 -0.8815889231900746
|
|
1.852932571346722 -0.8595402585598698
|
|
1.871649061966385 -0.8378544738627256
|
|
1.890365552586049 -0.8165355078846550
|
|
1.909082043205713 -0.7955868270064727
|
|
1.927798533825377 -0.7750114283053746
|
|
1.946515024445041 -0.7548118434554824
|
|
1.965231515064705 -0.7349901432978654
|
|
1.983948005684369 -0.7155479432839446
|
|
2.002664496304032 -0.6964864096543490
|
|
2.021380986923696 -0.6778062662920208
|
|
2.040097477543360 -0.6595078024635613
|
|
2.058813968163024 -0.6415908812010599
|
|
2.077530458782688 -0.6240549484419312
|
|
2.096246949402352 -0.6068990429595077
|
|
2.114963440022016 -0.5901218069394466
|
|
2.133679930641679 -0.5737214973528456
|
|
2.152396421261343 -0.5576959980795894
|
|
2.171112911881007 -0.5420428326438766
|
|
2.189829402500671 -0.5267591777102325
|
|
2.208545893120335 -0.5118418772102266
|
|
2.227262383739999 -0.4972874570570774
|
|
2.245978874359662 -0.4830921404118749
|
|
2.264695364979326 -0.4692518634612831
|
|
2.283411855598990 -0.4557622916680918
|
|
2.302128346218654 -0.4426188363484251
|
|
2.320844836838318 -0.4298166716073410
|
|
2.339561327457982 -0.4173507515777110
|
|
2.358277818077645 -0.4052158277850536
|
|
2.376994308697309 -0.3934064666518433
|
|
2.395710799316973 -0.3819170670625645
|
|
2.414427289936637 -0.3707418779114026
|
|
2.433143780556301 -0.3598750155548186
|
|
2.451860271175965 -0.3493104810930452
|
|
2.470576761795629 -0.3390421774140076
|
|
2.489293252415293 -0.3290639259254339
|
|
2.508009743034957 -0.3193694829356791
|
|
2.526726233654620 -0.3099525555889054
|
|
2.545442724274284 -0.3008068172943513
|
|
2.564159214893948 -0.2919259226079889
|
|
2.582875705513612 -0.2833035215093418
|
|
2.601592196133276 -0.2749332730279702
|
|
2.620308686752939 -0.2668088581751018
|
|
2.639025177372603 -0.2589239921403321
|
|
2.657741667992267 -0.2512724357347543
|
|
2.676458158611931 -0.2438480060590825
|
|
2.695174649231595 -0.2366445863648298
|
|
2.713891139851259 -0.2296561351039330
|
|
2.732607630470923 -0.2228766941763212
|
|
2.751324121090586 -0.2163003963659087
|
|
2.770040611710250 -0.2099214719807163
|
|
2.788757102329914 -0.2037342547074312
|
|
2.807473592949578 -0.1977331866852192
|
|
2.826190083569242 -0.1919128228575543
|
|
2.844906574188906 -0.1862678346211130
|
|
2.863623064808570 -0.1807930127899903
|
|
2.882339555428234 -0.1754832699101161
|
|
2.901056046047897 -0.1703336419760438
|
|
2.919772536667561 -0.1653392895793943
|
|
2.938489027287225 -0.1604954985214894
|
|
2.957205517906889 -0.1557976799290845
|
|
2.975922008526553 -0.1512413699345468
|
|
2.994638499146216 -0.1468222289565734
|
|
3.013354989765880 -0.1425360405905462
|
|
3.032071480385544 -0.1383787101878505
|
|
3.050787971005208 -0.1343462631483586
|
|
3.069504461624872 -0.1304348429714949
|
|
3.088220952244536 -0.1266407090984553
|
|
3.106937442864200 -0.1229602345877260
|
|
3.125653933483864 -0.1193899036351175
|
|
3.144370424103527 -0.1159263089681355
|
|
3.163086914723191 -0.1125661491776264
|
|
3.181803405342855 -0.1093062259983925
|
|
3.200519895962519 -0.1061434415327315
|
|
3.219236386582183 -0.1030747954533093
|
|
3.237952877201847 -0.1000973822111222
|
|
3.256669367821511 -0.9720838825784713E-01
|
|
3.275385858441175 -0.9440508928717020E-01
|
|
3.294102349060838 -0.9168484752024283E-01
|
|
3.312818839680502 -0.8904510902970265E-01
|
|
3.331535330300166 -0.8648340111202077E-01
|
|
3.350251820919830 -0.8399732971632957E-01
|
|
3.368968311539493 -0.8158457694667454E-01
|
|
3.387684802159157 -0.7924289861811755E-01
|
|
3.406401292778821 -0.7697012188141443E-01
|
|
3.425117783398485 -0.7476414290984922E-01
|
|
3.443834274018149 -0.7262292465766142E-01
|
|
3.462550764637813 -0.7054449469001478E-01
|
|
3.481267255257477 -0.6852694307402624E-01
|
|
3.499983745877141 -0.6656842034227929E-01
|
|
3.518700236496804 -0.6466713551729088E-01
|
|
3.537416727116468 -0.6282135420022404E-01
|
|
3.556133217736132 -0.6102939672173244E-01
|
|
3.574849708355796 -0.5928963635743392E-01
|
|
3.593566198975460 -0.5760049759143605E-01
|
|
3.612282689595124 -0.5596045443697226E-01
|
|
3.630999180214788 -0.5436802885040650E-01
|
|
3.649715670834452 -0.5282178915806809E-01
|
|
3.668432161454116 -0.5132034855929897E-01
|
|
3.687148652073779 -0.4986236362941364E-01
|
|
3.705865142693443 -0.4844653291073232E-01
|
|
3.724581633313107 -0.4707159558042445E-01
|
|
3.743298123932771 -0.4573633011946093E-01
|
|
3.762014614552434 -0.4443955304822741E-01
|
|
3.780731105172098 -0.4318011767671665E-01
|
|
3.799447595791762 -0.4195691291908408E-01
|
|
3.818164086411426 -0.4076886215091829E-01
|
|
3.836880577031090 -0.3961492209254385E-01
|
|
3.855597067650754 -0.3849408173615192E-01
|
|
3.874313558270418 -0.3740536130165636E-01
|
|
3.893030048890082 -0.3634781123344820E-01
|
|
3.911746539509745 -0.3532051122888229E-01
|
|
3.930463030129409 -0.3432256929877874E-01
|
|
3.949179520749073 -0.3335312085932892E-01
|
|
3.967896011368737 -0.3241132785512255E-01
|
|
3.986612501988401 -0.3149637790922592E-01
|
|
4.005328992608065 -0.3060748350429003E-01
|
|
4.024045483227728 -0.2974388118757162E-01
|
|
4.042761973847393 -0.2890483080673384E-01
|
|
4.061478464467056 -0.2808961476105986E-01
|
|
4.080194955086720 -0.2729753728752773E-01
|
|
4.098911445706384 -0.2652792376279771E-01
|
|
4.117627936326048 -0.2578012004108061E-01
|
|
4.136344426945712 -0.2505349180059815E-01
|
|
4.155060917565375 -0.2434742391938419E-01
|
|
4.173777408185039 -0.2366131986221679E-01
|
|
4.192493898804703 -0.2299460109521802E-01
|
|
4.211210389424367 -0.2234670652073692E-01
|
|
4.229926880044031 -0.2171709192661168E-01
|
|
4.248643370663695 -0.2110522945661023E-01
|
|
4.267359861283358 -0.2051060709458751E-01
|
|
4.286076351903023 -0.1993272816897599E-01
|
|
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|
|
4.323509333142351 -0.1882528778988024E-01
|
|
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|
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|
|
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|
|
4.417091786240669 -0.1631767876809662E-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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|
|
4.941153523591257 -0.7296098242070281E-02
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|
4.959870014210921 -0.7087656622835802E-02
|
|
4.978586504830585 -0.6885012107586362E-02
|
|
4.997302995450249 -0.6688003494960443E-02
|
|
5.016019486069913 -0.6496474168965759E-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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|
5.184467901646888 -0.4995538058853222E-02
|
|
5.203184392266551 -0.4851104425095504E-02
|
|
5.221900882886215 -0.4710693894025526E-02
|
|
5.240617373505879 -0.4574195387600696E-02
|
|
5.259333864125542 -0.4441500940619233E-02
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|
5.278050354745207 -0.4312505609926981E-02
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|
|
5.315483335984535 -0.4065207113494146E-02
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5.334199826604198 -0.3946708397659418E-02
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5.352916317223862 -0.3831517535934990E-02
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|
5.371632807843526 -0.3719543434493792E-02
|
|
5.390349298463190 -0.3610697534986885E-02
|
|
5.409065789082854 -0.3504893740351110E-02
|
|
5.427782279702518 -0.3402048345009239E-02
|
|
5.446498770322181 -0.3302079966084698E-02
|
|
5.465215260941846 -0.3204909477125429E-02
|
|
5.483931751561509 -0.3110459943630814E-02
|
|
5.502648242181173 -0.3018656560954083E-02
|
|
5.521364732800837 -0.2929426592180899E-02
|
|
5.540081223420501 -0.2842699312048147E-02
|
|
5.558797714040165 -0.2758405948249452E-02
|
|
5.577514204659829 -0.2676479625877070E-02
|
|
5.596230695279492 -0.2596855316254006E-02
|
|
5.614947185899156 -0.2519469779891118E-02
|
|
5.633663676518820 -0.2444261519722450E-02
|
|
5.652380167138483 -0.2371170728366551E-02
|
|
5.671096657758148 -0.2300139245253547E-02
|
|
5.689813148377811 -0.2231110507879389E-02
|
|
5.708529638997476 -0.2164029507254094E-02
|
|
5.727246129617139 -0.2098842745919617E-02
|
|
5.745962620236803 -0.2035498193271771E-02
|
|
5.764679110856467 -0.1973945246006046E-02
|
|
5.783395601476131 -0.1914134687952633E-02
|
|
5.802112092095794 -0.1856018651669578E-02
|
|
5.820828582715459 -0.1799550580585229E-02
|
|
5.839545073335122 -0.1744685192857245E-02
|
|
5.858261563954787 -0.1691378446232479E-02
|
|
5.876978054574450 -0.1639587502852660E-02
|
|
5.895694545194114 -0.1589270697637606E-02
|
|
5.914411035813778 -0.1540387504982720E-02
|
|
5.933127526433442 -0.1492898507476968E-02
|
|
5.951844017053105 -0.1446765366208702E-02
|
|
5.970560507672769 -0.1401950789866633E-02
|
|
5.989276998292433 -0.1358418506856347E-02
|
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6.007993488912097 -0.1316133237197594E-02
|
|
6.026709979531761 -0.1275060665552846E-02
|
|
6.045426470151424 -0.1235167414767994E-02
|
|
6.064142960771089 -0.1196421020475793E-02
|
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6.082859451390752 -0.1158789906419810E-02
|
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6.101575942010417 -0.1122243359877331E-02
|
|
6.120292432630080 -0.1086751509234983E-02
|
|
6.139008923249744 -0.1052285300727610E-02
|
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6.157725413869408 -0.1018816476507425E-02
|
|
6.176441904489072 -0.9863175534321480E-03
|
|
6.195158395108735 -0.9547618019590669E-03
|
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6.213874885728400 -0.9241232261446565E-03
|
|
6.232591376348063 -0.8943765438150012E-03
|
|
6.251307866967728 -0.8654971682354358E-03
|
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6.270024357587391 -0.8374611884009651E-03
|
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6.288740848207055 -0.8102453518114523E-03
|
|
6.307457338826719 -0.7838270465643143E-03
|
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6.326173829446383 -0.7581842857505821E-03
|
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6.344890320066046 -0.7332956889329842E-03
|
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6.363606810685710 -0.7091404674941478E-03
|
|
6.382323301305374 -0.6856984050821432E-03
|
|
6.401039791925038 -0.6629498591673486E-03
|
|
6.419756282544702 -0.6408757212114916E-03
|
|
6.438472773164365 -0.6194574175645672E-03
|
|
6.457189263784030 -0.5986768928234232E-03
|
|
6.475905754403693 -0.5785166105305385E-03
|
|
6.494622245023357 -0.5589594755070443E-03
|
|
6.513338735643021 -0.5399889310483202E-03
|
|
6.532055226262685 -0.5215888730844433E-03
|
|
6.550771716882349 -0.5037436382538503E-03
|
|
6.569488207502013 -0.4864380522439018E-03
|
|
6.588204698121676 -0.4696573113903988E-03
|
|
6.606921188741341 -0.4533870307208475E-03
|
|
6.625637679361004 -0.4376132032586465E-03
|
|
6.644354169980669 -0.4223222297448393E-03
|
|
6.663070660600332 -0.4075008357495952E-03
|
|
6.681787151219996 -0.3931360989370810E-03
|
|
6.700503641839660 -0.3792154284581817E-03
|
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6.719220132459323 -0.3657265727234063E-03
|
|
6.737936623078987 -0.3526575275864662E-03
|
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6.756653113698651 -0.3399966636779958E-03
|
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6.775369604318315 -0.3277326323131716E-03
|
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6.794086094937979 -0.3158543721232594E-03
|
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6.812802585557643 -0.3043511284626887E-03
|
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6.831519076177306 -0.2932124060623544E-03
|
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6.850235566796971 -0.2824279863636713E-03
|
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6.868952057416634 -0.2719879154597508E-03
|
|
6.887668548036298 -0.2618824961294069E-03
|
|
6.906385038655962 -0.2521022872142769E-03
|
|
6.925101529275626 -0.2426380877657974E-03
|
|
6.943818019895290 -0.2334809368857474E-03
|
|
6.962534510514954 -0.2246221071320559E-03
|
|
6.981251001134617 -0.2160530951950625E-03
|
|
6.999967491754282 -0.2077656213532873E-03
|
|
7.018683982373945 -0.1997516208795132E-03
|
|
7.037400472993609 -0.1920032392628370E-03
|
|
7.056116963613273 -0.1845128259870092E-03
|
|
7.074833454232937 -0.1772729333076344E-03
|
|
7.093549944852601 -0.1702763050458380E-03
|
|
7.112266435472264 -0.1635158754373792E-03
|
|
7.130982926091928 -0.1569847634897469E-03
|
|
7.149699416711592 -0.1506762691914943E-03
|
|
7.168415907331256 -0.1445838651279365E-03
|
|
7.187132397950920 -0.1387011982234641E-03
|
|
7.205848888570584 -0.1330220815297289E-03
|
|
7.224565379190247 -0.1275404909246696E-03
|
|
7.243281869809912 -0.1222505602284467E-03
|
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7.261998360429575 -0.1171465806969041E-03
|
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7.280714851049239 -0.1122229913858686E-03
|
|
7.299431341668903 -0.1074743790634585E-03
|
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7.318147832288567 -0.1028954736292623E-03
|
|
7.336864322908231 -0.9848114513608069E-04
|
|
7.355580813527895 -0.9422639743480695E-04
|
|
7.374297304147558 -0.9012636948758390E-04
|
|
7.393013794767223 -0.8617632891547366E-04
|
|
7.411730285386886 -0.8237166898641681E-04
|
|
7.430446776006550 -0.7870790756068640E-04
|
|
7.449163266626214 -0.7518068082538464E-04
|
|
7.467879757245877 -0.7178574216325450E-04
|
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7.486596247865542 -0.6851895878806269E-04
|
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7.505312738485205 -0.6537630905281614E-04
|
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7.524029229104869 -0.6235387889357478E-04
|
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7.542745719724533 -0.5944786024550890E-04
|
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7.561462210344197 -0.5665454770950291E-04
|
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7.580178700963860 -0.5397033612351816E-04
|
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7.598895191583525 -0.5139171805027837E-04
|
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7.617611682203188 -0.4891528137741857E-04
|
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7.636328172822853 -0.4653770670909485E-04
|
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7.655044663442516 -0.4425576540440154E-04
|
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7.673761154062180 -0.4206631706326549E-04
|
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7.692477644681844 -0.3996630737012424E-04
|
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7.711194135301508 -0.3795276586449100E-04
|
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7.729910625921171 -0.3602280414126400E-04
|
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7.748627116540836 -0.3417361329301896E-04
|
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7.767343607160499 -0.3240246223610743E-04
|
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7.786060097780164 -0.3070669567739157E-04
|
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7.804776588399827 -0.2908373211798764E-04
|
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7.823493079019491 -0.2753106240034142E-04
|
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7.842209569639155 -0.2604624725885295E-04
|
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7.860926060258818 -0.2462691597806768E-04
|
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7.879642550878483 -0.2327076458267771E-04
|
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7.898359041498146 -0.2197555438884684E-04
|
|
7.917075532117810 -0.2073910944550460E-04
|
|
7.935792022737474 -0.1955931641306025E-04
|
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7.954508513357138 -0.1843412209525111E-04
|
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7.973225003976801 -0.1736153215150695E-04
|
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7.991941494596466 -0.1633960948107256E-04
|
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8.010657985216129 -0.1536647342246364E-04
|
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8.029374475835793 -0.1444029740236880E-04
|
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8.048090966455456 -0.1355930816438568E-04
|
|
8.066807457075122 -0.1272178430667634E-04
|
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8.085523947694785 -0.1192605498671624E-04
|
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8.104240438314449 -0.1117049859511719E-04
|
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8.122956928934112 -0.1045354181150873E-04
|
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8.141673419553776 -0.9773657953665976E-05
|
|
8.160389910173441 -0.9129366112720647E-05
|
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8.179106400793104 -0.8519229950303962E-05
|
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8.197822891412768 -0.7941856834879687E-05
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8.216539382032432 -0.7395895759786665E-05
|
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8.235255872652095 -0.6880037852603205E-05
|
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8.253972363271760 -0.6393014374346859E-05
|
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8.272688853891424 -0.5933595953639294E-05
|
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8.291405344511087 -0.5500591618005387E-05
|
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8.310121835130751 -0.5092847579923111E-05
|
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8.328838325750414 -0.4709247498008808E-05
|
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8.347554816370078 -0.4348709681600819E-05
|
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8.366271306989743 -0.4010187468321518E-05
|
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8.384987797609407 -0.3692668073592455E-05
|
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8.403704288229070 -0.3395172032085668E-05
|
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8.422420778848734 -0.3116751259716247E-05
|
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8.441137269468397 -0.2856490000871725E-05
|
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8.459853760088063 -0.2613502975922218E-05
|
|
8.478570250707726 -0.2386934890412855E-05
|
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8.497286741327390 -0.2175959711956739E-05
|
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8.516003231947053 -0.1979779735483757E-05
|
|
8.534719722566717 -0.1797625886014328E-05
|
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8.553436213186382 -0.1628755496276850E-05
|
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8.572152703806045 -0.1472452663847583E-05
|
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8.590869194425709 -0.1328027378931907E-05
|
|
8.609585685045372 -0.1194814908352559E-05
|
|
8.628302175665036 -0.1072175406451679E-05
|
|
8.647018666284701 -0.9594924111386032E-06
|
|
8.665735156904365 -0.8561737551942514E-06
|
|
8.684451647524028 -0.7616500331260879E-06
|
|
8.703168138143692 -0.6753743004757025E-06
|
|
8.721884628763355 -0.5968213236940010E-06
|
|
8.740601119383019 -0.5254880133789958E-06
|
|
8.759317610002684 -0.4608915063375808E-06
|
|
8.778034100622348 -0.4025695726496820E-06
|
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8.796750591242011 -0.3500799420108545E-06
|
|
8.815467081861675 -0.3029998475062864E-06
|
|
8.834183572481338 -0.2609256770914661E-06
|
|
8.852900063101004 -0.2234721514291908E-06
|
|
8.871616553720667 -0.1902725066668672E-06
|
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8.890333044340331 -0.1609777117276542E-06
|
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8.909049534959994 -0.1352561654189801E-06
|
|
8.927766025579658 -0.1127933172743019E-06
|
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8.946482516199323 -0.9329129804282811E-07
|
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8.965199006818986 -0.7646856810828459E-07
|
|
8.983915497438650 -0.6205956126571775E-07
|
|
9.002631988058313 -0.4981435306643244E-07
|
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9.021348478677977 -0.3949833151343611E-07
|
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9.040064969297642 -0.3089187812139838E-07
|
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9.058781459917306 -0.2378977123775450E-07
|
|
9.077497950536969 -0.1800207774148578E-07
|
|
9.096214441156633 -0.1335206863094863E-07
|
|
9.114930931776296 -0.9677060357054461E-08
|
|
9.133647422395960 -0.6827873754390609E-08
|
|
9.152363913015625 -0.4668562603825669E-08
|
|
9.171080403635289 -0.3073061298223217E-08
|
|
9.189796894254952 -0.1937542379443822E-08
|
|
9.208513384874616 -0.1161804466598141E-08
|
|
9.227229875494279 -0.6603337033886649E-09
|
|
9.245946366113944 -0.3594181798198418E-09
|
|
9.264662856733608 -0.1968526010252907E-09
|
|
9.283379347353272 -0.4947302836904870E-10
|
|
9.302095837972935 -0.1573888456410113E-10
|
|
9.320812328592599 -0.2490065630661771E-10
|
|
9.339528819212264 0.000000000000000
|
|
# Chlocal:__________________________
|
|
500 0.6631890280420842E-02 3.309313249930000 # npts, delta, cutoff
|
|
0.000000000000000 -0.2696171832818177
|
|
0.6631890280420842E-02 -0.2696135788619102
|
|
0.1326378056084168E-01 -0.2696025836798212
|
|
0.1989567084126253E-01 -0.2695842584554041
|
|
0.2652756112168337E-01 -0.2695586033074332
|
|
0.3315945140210421E-01 -0.2695256184025506
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