PAW_PBE C 08Apr2002
4.00000000000000
parameters from PSCTR are:
VRHFIN =C: s2p2
LEXCH = PE
EATOM = 147.1560 eV, 10.8157 Ry
TITEL = PAW_PBE C 08Apr2002
LULTRA = F use ultrasoft PP ?
IUNSCR = 1 unscreen: 0-lin 1-nonlin 2-no
RPACOR = 1.200 partial core radius
POMASS = 12.011; ZVAL = 4.000 mass and valenz
RCORE = 1.500 outmost cutoff radius
RWIGS = 1.630; RWIGS = 0.863 wigner-seitz radius (au A)
ENMAX = 400.000; ENMIN = 300.000 eV
ICORE = 2 local potential
LCOR = T correct aug charges
LPAW = T paw PP
EAUG = 644.873
DEXC = 0.000
RMAX = 1.529 core radius for proj-oper
RAUG = 1.300 factor for augmentation sphere
RDEP = 1.501 radius for radial grids
RDEPT = 1.300 core radius for aug-charge
Atomic configuration
4 entries
n l j E occ.
1 0 0.50 -273.3789 2.0000
2 0 0.50 -13.7508 2.0000
2 1 0.50 -5.2854 2.0000
3 2 1.50 -5.4423 0.0000
Description
l E TYP RCUT TYP RCUT
0 -13.7508458 23 1.200
0 -8.2022199 23 1.200
1 -5.2854383 23 1.500
1 34.0145650 23 1.500
2 -5.4423304 7 1.500
Error from kinetic energy argument (eV)
NDATA = 100
STEP = 20.000 1.050
51.3 49.5 48.6 46.8 45.9 44.1 42.4 41.6
39.9 38.2 37.4 35.8 34.3 32.8 31.4 30.0
28.6 27.3 26.1 24.3 23.2 22.1 20.5 19.6
18.6 17.3 16.0 15.2 14.1 13.1 12.1 11.1
10.3 9.47 8.72 8.02 7.15 6.55 5.82 5.31
4.69 4.13 3.63 3.17 2.76 2.40 2.07 1.72
1.47 1.20 0.971 0.815 0.650 0.512 0.380 0.292
0.222 0.158 0.110 0.748E-01 0.504E-01 0.337E-01 0.227E-01 0.149E-01
0.111E-01 0.869E-02 0.756E-02 0.700E-02 0.657E-02 0.614E-02 0.551E-02 0.474E-02
0.392E-02 0.314E-02 0.237E-02 0.184E-02 0.143E-02 0.118E-02 0.104E-02 0.993E-03
0.959E-03 0.910E-03 0.829E-03 0.707E-03 0.570E-03 0.442E-03 0.343E-03 0.275E-03
0.245E-03 0.238E-03 0.236E-03 0.227E-03 0.202E-03 0.169E-03 0.131E-03 0.102E-03
0.851E-04 0.796E-04 0.787E-04 0.761E-04
END of PSCTR-controll parameters
local part
124.721915246209
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0.20231085E+02 0.20189197E+02 0.20144567E+02 0.20097181E+02 0.20047020E+02
0.19994064E+02 0.19938291E+02 0.19879675E+02 0.19818187E+02 0.19753797E+02
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0.47343340E-01 0.47252727E-01 0.47159009E-01 0.47062200E-01 0.46962343E-01
gradient corrections used for XC
5
core charge-density (partial)
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kinetic energy density (partial)
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0.25007417E-06 0.25385746E-06 0.25599718E-06 0.25650052E-06 0.25538483E-06
0.25267737E-06 0.24841504E-06 0.24264399E-06 0.23541927E-06 0.22680433E-06
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atomic pseudo charge-density
0.40000000E+01 0.39894900E+01 0.39582020E+01 0.39068475E+01 0.38365676E+01
0.37488701E+01 0.36455522E+01 0.35286148E+01 0.34001764E+01 0.32623924E+01
0.31173852E+01 0.29671861E+01 0.28136923E+01 0.26586361E+01 0.25035670E+01
0.23498438E+01 0.21986345E+01 0.20509225E+01 0.19075176E+01 0.17690689E+01
0.16360799E+01 0.15089238E+01 0.13878591E+01 0.12730444E+01 0.11645520E+01
0.10623816E+01 0.96647127E+00 0.87670876E+00 0.79294050E+00 0.71498025E+00
0.64261635E+00 0.57561818E+00 0.51374165E+00 0.45673396E+00 0.40433763E+00
0.35629386E+00 0.31234537E+00 0.27223873E+00 0.23572619E+00 0.20256723E+00
0.17252965E+00 0.14539051E+00 0.12093668E+00 0.98965284E-01 0.79283927E-01
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0.41930673E-04 0.41057630E-04 0.39909026E-04 0.38505213E-04 0.36867577E-04
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0.93324139E-05 0.90498402E-05 0.87100024E-05 0.83175518E-05 0.78773569E-05
0.73944594E-05 0.68740306E-05 0.63213285E-05 0.57416551E-05 0.51403164E-05
0.45225824E-05 0.38936495E-05 0.32586051E-05 0.26223937E-05 0.19897858E-05
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0.14222563E-05 0.16206688E-05 0.18001246E-05 0.19600187E-05 0.20999125E-05
0.22195310E-05 0.23187585E-05 0.23976331E-05 0.24563411E-05 0.24952091E-05
0.25146972E-05 0.25153893E-05 0.24979852E-05 0.24632899E-05 0.24122043E-05
0.23457144E-05 0.22648808E-05 0.21708280E-05 0.20647338E-05 0.19478179E-05
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0.10900716E-05 0.93293555E-06 0.77503563E-06 0.61752849E-06 0.46152234E-06
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0.23707103E-06 0.28859129E-06 0.33634484E-06 0.38018381E-06 0.41999255E-06
0.45568682E-06 0.48721284E-06 0.51454607E-06 0.53768993E-06 0.55667434E-06
0.57155419E-06 0.58240765E-06 0.58933453E-06 0.59245441E-06 0.59190490E-06
0.58783976E-06 0.58042708E-06 0.56984743E-06 0.55629204E-06 0.53996103E-06
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25.1333556480997 T
Non local Part
0 2 0.809018704071853
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11.5256250087982
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0.10178381E+01 0.39933054E+00 -0.17546938E+00 -0.69355860E+00 -0.11446090E+01
-0.15210674E+01 -0.18181697E+01 -0.20338733E+01 -0.21687153E+01 -0.22256039E+01
Real Space Part
0.13380756E+04 0.13373358E+04 0.13351170E+04 0.13314215E+04 0.13262528E+04
0.13196160E+04 0.13115176E+04 0.13019656E+04 0.12909693E+04 0.12785397E+04
0.12646894E+04 0.12494321E+04 0.12327837E+04 0.12147611E+04 0.11953834E+04
0.11746711E+04 0.11526467E+04 0.11293345E+04 0.11047609E+04 0.10789541E+04
0.10519448E+04 0.10237661E+04 0.99445313E+03 0.96404408E+03 0.93257968E+03
0.90010360E+03 0.86666259E+03 0.83230666E+03 0.79708918E+03 0.76106712E+03
0.72430114E+03 0.68685577E+03 0.64879953E+03 0.61020508E+03 0.57114928E+03
0.53171333E+03 0.49198276E+03 0.45204751E+03 0.41200190E+03 0.37194462E+03
0.33197859E+03 0.29221089E+03 0.25275257E+03 0.21371841E+03 0.17522664E+03
0.13739862E+03 0.10035844E+03 0.64232440E+02 0.29148680E+02 -0.47636269E+01
-0.37374797E+02 -0.68555391E+02 -0.98177011E+02 -0.12611315E+03 -0.15224012E+03
-0.17643798E+03 -0.19859161E+03 -0.21859175E+03 -0.23633607E+03 -0.25173032E+03
-0.26468946E+03 -0.27513878E+03 -0.28301504E+03 -0.28826751E+03 -0.29085910E+03
-0.29076724E+03 -0.28798485E+03 -0.28252111E+03 -0.27440213E+03 -0.26367152E+03
-0.25039071E+03 -0.23463925E+03 -0.21651476E+03 -0.19613277E+03 -0.17362643E+03
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-0.33119072E+02 -0.21702925E+02 -0.10400939E+02 0.51584918E+00 0.10856251E+02
0.20433452E+02 0.29062017E+02 0.36561812E+02 0.42759562E+02 0.47490760E+02
0.50601400E+02 0.51949458E+02 0.51406278E+02 0.48857853E+02 0.44207716E+02
0.37365937E+02 0.28261481E+02 0.17146376E+02 0.22078540E+01 0.00000000E+00
Non local Part
1 2 0.809018704071853
-1.25459431793475 2.49934797684719 2.49934797684719
-6.92024382817034
Reciprocal Space Part
0.00000000E+00 0.58012143E+00 0.11501102E+01 0.17000290E+01 0.22203268E+01
0.27020214E+01 0.31368709E+01 0.35175277E+01 0.38376752E+01 0.40921416E+01
0.42769903E+01 0.43895839E+01 0.44286217E+01 0.43941491E+01 0.42875405E+01
0.41114539E+01 0.38697615E+01 0.35674552E+01 0.32105320E+01 0.28058598E+01
0.23610281E+01 0.18841869E+01 0.13838772E+01 0.86885653E+00 0.34792451E+00
-0.17024888E+00 -0.67728829E+00 -0.11652677E+01 -0.16268519E+01 -0.20554220E+01
-0.24451824E+01 -0.27912476E+01 -0.30897079E+01 -0.33376718E+01 -0.35332864E+01
-0.36757355E+01 -0.37652149E+01 -0.38028888E+01 -0.37908257E+01 -0.37319189E+01
-0.36297914E+01 -0.34886898E+01 -0.33133689E+01 -0.31089700E+01 -0.28808962E+01
-0.26346881E+01 -0.23759012E+01 -0.21099893E+01 -0.18421958E+01 -0.15774544E+01
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-0.27132386E+00 -0.12532214E+00 -0.32312103E-02 0.94991000E-01 0.16991640E+00
0.22259609E+00 0.25450133E+00 0.26745814E+00 0.26357737E+00 0.24518230E+00
0.21473567E+00 0.17476809E+00 0.12780942E+00 0.76324852E-01 0.22656906E-01
-0.31025405E-01 -0.82769423E-01 -0.13087304E+00 -0.17390992E+00 -0.21074552E+00
-0.24054426E+00 -0.26276801E+00 -0.27716654E+00 -0.28376085E+00 -0.28282004E+00
-0.27483302E+00 -0.26047599E+00 -0.24057705E+00 -0.21607892E+00 -0.18800118E+00
-0.15740294E+00 -0.12534711E+00 -0.92867149E-01 -0.60937076E-01 -0.30445471E-01
-0.21739016E-02 0.23219840E-01 0.45213529E-01 0.63427285E-01 0.77625482E-01
0.87714030E-01 0.93733442E-01 0.95848151E-01 0.94332667E-01 0.89555201E-01
Real Space Part
0.00000000E+00 -0.27845427E+01 -0.55507472E+01 -0.82804813E+01 -0.10956021E+02
-0.13560245E+02 -0.16076823E+02 -0.18490386E+02 -0.20786682E+02 -0.22952719E+02
-0.24976879E+02 -0.26849017E+02 -0.28560536E+02 -0.30104437E+02 -0.31475347E+02
-0.32669524E+02 -0.33684836E+02 -0.34520725E+02 -0.35178145E+02 -0.35659482E+02
-0.35968467E+02 -0.36110057E+02 -0.36090324E+02 -0.35916323E+02 -0.35595954E+02
-0.35137823E+02 -0.34551101E+02 -0.33845383E+02 -0.33030547E+02 -0.32116621E+02
-0.31113661E+02 -0.30031624E+02 -0.28880267E+02 -0.27669046E+02 -0.26407031E+02
-0.25102834E+02 -0.23764547E+02 -0.22399701E+02 -0.21015228E+02 -0.19617447E+02
-0.18212054E+02 -0.16804128E+02 -0.15398151E+02 -0.13998037E+02 -0.12607166E+02
-0.11228434E+02 -0.98643076E+01 -0.85168792E+01 -0.71879367E+01 -0.58790277E+01
-0.45915304E+01 -0.33267220E+01 -0.20858476E+01 -0.87018546E+00 0.31889190E+00
0.14798612E+01 0.26109992E+01 0.37103415E+01 0.47756496E+01 0.58043885E+01
0.67937141E+01 0.77404725E+01 0.86412110E+01 0.94922002E+01 0.10289469E+02
0.11028852E+02 0.11706045E+02 0.12316678E+02 0.12856388E+02 0.13320913E+02
0.13706185E+02 0.14008430E+02 0.14224277E+02 0.14350866E+02 0.14385958E+02
0.14328043E+02 0.14176445E+02 0.13931423E+02 0.13594262E+02 0.13167350E+02
0.12654257E+02 0.12059786E+02 0.11390009E+02 0.10652304E+02 0.98553494E+01
0.90091221E+01 0.81248560E+01 0.72150055E+01 0.62931637E+01 0.53739861E+01
0.44730813E+01 0.36068889E+01 0.27925530E+01 0.20477631E+01 0.13905980E+01
0.83938824E+00 0.41250510E+00 0.12734221E+00 0.68991025E-02 0.00000000E+00
Reciprocal Space Part
0.00000000E+00 0.17585757E+00 0.34749514E+00 0.51077994E+00 0.66175174E+00
0.79670440E+00 0.91226180E+00 0.10054466E+01 0.10737404E+01 0.11151335E+01
0.11281643E+01 0.11119464E+01 0.10661834E+01 0.99117138E+00 0.88778850E+00
0.75747289E+00 0.60218852E+00 0.42438063E+00 0.22692143E+00 0.13047569E-01
-0.21370930E+00 -0.44959706E+00 -0.69072129E+00 -0.93312507E+00 -0.11728688E+01
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-0.23557842E+01 -0.24832521E+01 -0.25854390E+01 -0.26613687E+01 -0.27105553E+01
-0.27329985E+01 -0.27291684E+01 -0.26999817E+01 -0.26467685E+01 -0.25712319E+01
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0.45088963E-01 0.33716537E-01 0.18118398E-01 -0.44763576E-03 -0.20786416E-01
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0.41356100E-01 0.44217666E-01 0.45212951E-01 0.44475619E-01 0.42183586E-01
Real Space Part
0.00000000E+00 -0.22584117E+01 -0.45030118E+01 -0.67201336E+01 -0.88963977E+01
-0.11018850E+02 -0.13075093E+02 -0.15053408E+02 -0.16942868E+02 -0.18733439E+02
-0.20416064E+02 -0.21982736E+02 -0.23426558E+02 -0.24741781E+02 -0.25923832E+02
-0.26969320E+02 -0.27876037E+02 -0.28642931E+02 -0.29270076E+02 -0.29758622E+02
-0.30110742E+02 -0.30329555E+02 -0.30419058E+02 -0.30384034E+02 -0.30229968E+02
-0.29962950E+02 -0.29589578E+02 -0.29116867E+02 -0.28552148E+02 -0.27902974E+02
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0.13645128E+01 0.20042638E+01 0.26076373E+01 0.31734138E+01 0.37003094E+01
0.41869867E+01 0.46320724E+01 0.50341809E+01 0.53919419E+01 0.57040341E+01
0.59692232E+01 0.61864026E+01 0.63546383E+01 0.64732152E+01 0.65416849E+01
0.65599141E+01 0.65281312E+01 0.64469719E+01 0.63175229E+01 0.61413588E+01
0.59205774E+01 0.56578277E+01 0.53563295E+01 0.50198915E+01 0.46529116E+01
0.42603812E+01 0.38478674E+01 0.34214996E+01 0.29879345E+01 0.25543235E+01
0.21282640E+01 0.17177450E+01 0.13310897E+01 0.97688277E+00 0.66389818E+00
0.40103575E+00 0.19722203E+00 0.60924737E-01 0.32993883E-02 0.00000000E+00
PAW radial sets
387 0.699084555240741
(5E20.12)
augmentation charges (non sperical)
-0.610085078461E-01 -0.825288497502E-01 -0.286321348804E-01 0.837941172581E-01 -0.825288497502E-01
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0.535065847904E-01 -0.104336069865E+00 0.837941172581E-01 0.111528043221E+00 -0.104336069865E+00
0.206747784148E+00
uccopancies in atom
0.199999999999E+01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.666666666191E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00
grid
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aepotential
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core charge-density
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0.293535100328E+01 0.298150800569E+01 0.302382467012E+01 0.306197879142E+01 0.309565376873E+01
0.312454157399E+01 0.314834588406E+01 0.316678535175E+01 0.317959698546E+01 0.318653960182E+01
0.318739731118E+01 0.318198299014E+01 0.317014169094E+01 0.315175393310E+01 0.312673881894E+01
0.309505691139E+01 0.305671281059E+01 0.301175736450E+01 0.296028944882E+01 0.290245725317E+01
0.283845901348E+01 0.276854313525E+01 0.269300765895E+01 0.261219902737E+01 0.252651012486E+01
0.243637757120E+01 0.234227826665E+01 0.224472520121E+01 0.214426255840E+01 0.204146016301E+01
0.193690734182E+01 0.183120628627E+01 0.172496502410E+01 0.161879013108E+01 0.151327931464E+01
0.140901403128E+01 0.130655229510E+01 0.120642184097E+01 0.110911380351E+01 0.101507706531E+01
0.924713415194E+00 0.838373638610E+00 0.756354633044E+00 0.678897593873E+00 0.606187236204E+00
0.538351896201E+00 0.475464205711E+00 0.417541937039E+00 0.364548734625E+00 0.316394937835E+00
0.272939426163E+00 0.233993808891E+00 0.199329712126E+00 0.168688507801E+00 0.141791603050E+00
0.118349382675E+00 0.980680112101E-01 0.806544732036E-01 0.658206201563E-01 0.532867335828E-01
0.427847430624E-01 0.340610365053E-01 0.268787587444E-01 0.210195270580E-01 0.162845404237E-01
0.124951006491E-01 0.949259332511E-02 0.713799597409E-02 0.531099207142E-02 0.390877476465E-02
0.284462447136E-02 0.204634105555E-02 0.145460472883E-02 0.102133087181E-02 0.708073371823E-03
0.484519558958E-03 0.327108147341E-03 0.217790418137E-03 0.142944771955E-03 0.924461358421E-04
0.588847724706E-04 0.369238866702E-04 0.227819974745E-04 0.138241719848E-04 0.824565667318E-05
0.483190804996E-05 0.278022714905E-05 0.156986819816E-05 0.869385578152E-06 0.471916061192E-06
0.250927600539E-06 0.130611975426E-06 0.665087883488E-07 0.331083796014E-07 0.161009521940E-07
0.764367183337E-08 0.353965782606E-08 0.159768325477E-08 0.702329008374E-09 0.300434573515E-09
0.124952631311E-09 0.504825516273E-10 0.197942287197E-10 0.752531117071E-11 0.277122464384E-11
0.987502501209E-12 0.340146596908E-12 0.113131008036E-12 0.362906131860E-13 0.112149279727E-13
0.333474817006E-14 0.952907632269E-15 0.261335374456E-15 0.686949545635E-16 0.172834778617E-16
0.415621394002E-17 0.953862737148E-18 0.208610125967E-18 0.434075915325E-19 0.857974812426E-20
0.160819058566E-20 0.285369383433E-21 0.478534578100E-22 0.756937854171E-23 0.112726955183E-23
0.157750098174E-24 0.207020098419E-25 0.254246621267E-26 0.291586617747E-27 0.311594459329E-28
0.309549927396E-29 0.285211910372E-30 0.243133423243E-31 0.191280930878E-32 0.138523480089E-33
0.920954428784E-35 0.560553051251E-36 0.311473608922E-37 0.157533893086E-38 0.723029790652E-40
0.300197305477E-41 0.112388359667E-42
kinetic energy-density
0.187150680411E-01 0.190026985814E-01 0.193019283134E-01 0.196129173070E-01 0.199362223466E-01
0.202724419468E-01 0.206221543328E-01 0.209860257628E-01 0.213647226431E-01 0.217589775679E-01
0.221695415277E-01 0.225972126098E-01 0.230428378309E-01 0.235073034297E-01 0.239915471047E-01
0.244965558870E-01 0.250233707629E-01 0.255730888854E-01 0.261468664952E-01 0.267459235750E-01
0.273715465014E-01 0.280250895166E-01 0.287079913502E-01 0.294217584179E-01 0.301679710924E-01
0.309483397777E-01 0.317646148821E-01 0.326186941670E-01 0.335125544355E-01 0.344482822830E-01
0.354280835526E-01 0.364543418389E-01 0.375294924859E-01 0.386561676031E-01 0.398371591378E-01
0.410753556967E-01 0.423738802306E-01 0.437360347427E-01 0.451652704063E-01 0.466652725530E-01
0.482399624092E-01 0.498934420309E-01 0.516300997537E-01 0.534545677412E-01 0.553717643623E-01
0.573869038141E-01 0.595054977624E-01 0.617333975662E-01 0.640768238205E-01 0.665423375565E-01
0.691369324164E-01 0.718680440951E-01 0.747434678602E-01 0.777715799423E-01 0.809612451375E-01
0.843218068714E-01 0.878632235574E-01 0.915961919098E-01 0.955317657996E-01 0.996819738419E-01
0.104059410495E+00 0.108677558667E+00 0.113550751509E+00 0.118694009125E+00 0.124123562101E+00
0.129856352963E+00 0.135910725070E+00 0.142305909177E+00 0.149062372919E+00 0.156201887226E+00
0.163747683412E+00 0.171724270648E+00 0.180157855663E+00 0.189076184814E+00 0.198508756288E+00
0.208487008025E+00 0.219044218093E+00 0.230215862622E+00 0.242039644974E+00 0.254555573574E+00
0.267806271633E+00 0.281836963724E+00 0.296695778960E+00 0.312433876512E+00 0.329105665113E+00
0.346768934502E+00 0.365485178087E+00 0.385319738759E+00 0.406342299553E+00 0.428626319638E+00
0.452250811218E+00 0.477299133274E+00 0.503860065302E+00 0.532028116709E+00 0.561903690270E+00
0.593593578349E+00 0.627211198034E+00 0.662877454503E+00 0.700720535203E+00 0.740876913977E+00
0.783491674899E+00 0.828719021384E+00 0.876723053688E+00 0.927677946205E+00 0.981769171581E+00
0.103919370898E+01 0.110016096119E+01 0.116489360136E+01 0.123362833680E+01 0.130661661966E+01
0.138412586602E+01 0.146644018669E+01 0.155386160506E+01 0.164671104314E+01 0.174532941130E+01
0.185007923747E+01 0.196134535531E+01 0.207953691172E+01 0.220508839009E+01 0.233846140011E+01
0.248014627968E+01 0.263066369200E+01 0.279056681584E+01 0.296044277199E+01 0.314091518937E+01
0.333264611749E+01 0.353633838721E+01 0.375273804219E+01 0.398263660637E+01 0.422687458666E+01
0.448634348549E+01 0.476198914713E+01 0.505481485628E+01 0.536588521073E+01 0.569632846347E+01
0.604734168350E+01 0.642019328426E+01 0.681622831347E+01 0.723687181489E+01 0.768363431181E+01
0.815811524083E+01 0.866200956136E+01 0.919711174825E+01 0.976532184364E+01 0.103686508668E+02
0.110092276427E+02 0.116893036632E+02 0.124112613988E+02 0.131776195862E+02 0.139910413414E+02
0.148543415690E+02 0.157704940605E+02 0.167426403621E+02 0.177740977546E+02 0.188683678238E+02
0.200291458399E+02 0.212603296720E+02 0.225660297404E+02 0.239505785547E+02 0.254185412760E+02
0.269747259644E+02 0.286241940618E+02 0.303722720010E+02 0.322245613189E+02 0.341869521407E+02
0.362656310230E+02 0.384670962459E+02 0.407981680571E+02 0.432659994877E+02 0.458780892017E+02
0.486422929258E+02 0.515668348377E+02 0.546603175459E+02 0.579317349340E+02 0.613904801615E+02
0.650463580181E+02 0.689095912942E+02 0.729908305915E+02 0.773011621109E+02 0.818521105386E+02
0.866556486375E+02 0.917241956191E+02 0.970706219281E+02 0.102708246459E+03 0.108650834969E+03
0.114912594297E+03 0.121508163679E+03 0.128452604363E+03 0.135761383144E+03 0.143450355641E+03
0.151535742131E+03 0.160034099930E+03 0.168962291836E+03 0.178337447425E+03 0.188176919071E+03
0.198498232491E+03 0.209319028881E+03 0.220657000669E+03 0.232529819785E+03 0.244955056061E+03
0.257950088896E+03 0.271532008273E+03 0.285717504386E+03 0.300522754903E+03 0.315963285134E+03
0.332053838257E+03 0.348808220954E+03 0.366239132464E+03 0.384358000459E+03 0.403174789793E+03
0.422697798265E+03 0.442933458751E+03 0.463886103536E+03 0.485557742440E+03 0.507947812996E+03
0.531052932116E+03 0.554866632342E+03 0.579379095189E+03 0.604576875584E+03 0.630442628426E+03
0.656954821546E+03 0.684087465758E+03 0.711809833678E+03 0.740086192341E+03 0.768875546863E+03
0.798131392336E+03 0.827801489661E+03 0.857827658044E+03 0.888145600146E+03 0.918684755398E+03
0.949368191402E+03 0.980112541578E+03 0.101082798537E+04 0.104141828954E+04 0.107178090505E+04
0.110180713074E+04 0.113138235160E+04 0.116038634783E+04 0.118869368921E+04 0.121617421709E+04
0.124269360739E+04 0.126811403533E+04 0.129229492606E+04 0.131509380150E+04 0.133636722257E+04
0.135597181755E+04 0.137376540057E+04 0.138960817150E+04 0.140336398576E+04 0.141490169432E+04
0.142409653034E+04 0.143083154366E+04 0.143499905050E+04 0.143650210136E+04 0.143525592873E+04
0.143118937160E+04 0.142424624166E+04 0.141438661835E+04 0.140158804204E+04 0.138584658853E+04
0.136717779395E+04 0.134561741249E+04 0.132122198211E+04 0.129406917573E+04 0.126425792178E+04
0.123190827482E+04 0.119716102057E+04 0.116017700834E+04 0.112113619678E+04 0.108023641419E+04
0.103769182805E+04 0.993731131746E+03 0.948595453821E+03 0.902536005198E+03 0.855811483068E+03
0.808685257261E+03 0.761422372854E+03 0.714286418421E+03 0.667536262912E+03 0.621422839948E+03
0.576185893651E+03 0.532050870231E+03 0.489225992918E+03 0.447899597545E+03 0.408237796197E+03
0.370382528656E+03 0.334450064146E+03 0.300530043929E+03 0.268685226036E+03 0.238952207605E+03
0.211343498969E+03 0.185851228999E+03 0.162452188108E+03 0.141112750315E+03 0.121791110847E+03
0.104434777425E+03 0.889742185534E+02 0.753170557654E+02 0.633476452322E+02 0.529332849457E+02
0.439337166013E+02 0.362092956134E+02 0.296256559048E+02 0.240555383003E+02 0.193793213930E+02
0.154852579438E+02 0.122697443411E+02 0.963761240902E+01 0.750235296064E+01 0.578620179852E+01
0.442005835664E+01 0.334323785953E+01 0.250307632968E+01 0.185441692241E+01 0.135900892802E+01
0.984850381857E+00 0.705502792228E+00 0.499403133335E+00 0.349194330804E+00 0.241091269916E+00
0.164295078647E+00 0.110464301123E+00 0.732477230045E-01 0.478802256025E-01 0.308402279439E-01
0.195650888517E-01 0.122192971365E-01 0.750933655477E-02 0.453870368119E-02 0.269658352619E-02
0.157404513698E-02 0.902201484903E-03 0.507489172708E-03 0.279983567033E-03 0.151411198640E-03
0.802105783757E-04 0.415980630557E-04 0.211053671140E-04 0.104686890169E-04 0.507297848390E-05
0.239986650930E-05 0.110748150676E-05 0.498164580656E-06 0.218246379238E-06 0.930462196847E-07
0.385705455035E-07 0.155322268676E-07 0.607064880761E-08 0.230064087530E-08 0.844596878183E-09
0.300052065756E-09 0.103046733453E-09 0.341735409287E-10 0.109313728196E-10 0.336885124397E-11
0.999049233363E-12 0.284739053522E-12 0.778933982620E-13 0.204252292154E-13 0.512679043400E-14
0.123003166906E-14 0.281668714654E-15 0.614683195298E-16 0.127635706458E-16 0.251766102280E-17
0.470977863823E-18 0.834128701543E-19 0.139611967675E-19 0.220431009579E-20 0.327688784500E-21
0.457764137294E-22 0.599706635674E-23 0.735276399386E-24 0.841871972901E-25 0.898181817836E-26
0.890868262820E-27 0.819539719856E-28 0.697552702429E-29 0.547953332399E-30 0.396226358746E-31
0.263035065187E-32 0.159865238670E-33 0.887003495144E-35 0.447969335314E-36 0.205306373339E-37
0.851186687055E-39 0.318206326318E-40
mkinetic energy-density pseudized
0.242933787425E-06 0.258989864073E-06 0.276107125328E-06 0.294355707424E-06 0.313810382066E-06
0.334550862801E-06 0.356662131637E-06 0.380234787243E-06 0.405365416173E-06 0.432156988617E-06
0.460719280311E-06 0.491169322334E-06 0.523631880625E-06 0.558239967207E-06 0.595135385182E-06
0.634469309760E-06 0.676402907683E-06 0.721107997585E-06 0.768767754007E-06 0.819577457932E-06
0.873745296929E-06 0.931493218182E-06 0.993057837892E-06 0.105869141079E-05 0.112866286373E-05
0.120325889757E-05 0.128278516192E-05 0.136756750751E-05 0.145795332130E-05 0.155431294989E-05
0.165704121697E-05 0.176655904107E-05 0.188331516022E-05 0.200778797061E-05 0.214048748678E-05
0.228195743133E-05 0.243277746278E-05 0.259356555066E-05 0.276498050754E-05 0.294772468852E-05
0.314254686896E-05 0.335024531257E-05 0.357167104219E-05 0.380773132677E-05 0.405939339878E-05
0.432768841736E-05 0.461371569338E-05 0.491864719373E-05 0.524373234334E-05 0.559030314455E-05
0.595977963482E-05 0.635367570519E-05 0.677360530328E-05 0.722128904623E-05 0.769856127075E-05
0.820737754905E-05 0.874982270164E-05 0.932811933957E-05 0.994463697130E-05 0.106019017115E-04
0.113026066316E-04 0.120496227939E-04 0.128460110160E-04 0.136950344115E-04 0.146001717606E-04
0.155651317639E-04 0.165938682378E-04 0.176905963154E-04 0.188598097170E-04 0.201062991627E-04
0.214351720014E-04 0.228518731377E-04 0.243622073412E-04 0.259723630312E-04 0.276889376321E-04
0.295189646058E-04 0.314699422699E-04 0.335498645208E-04 0.357672535872E-04 0.381311949487E-04
0.406513745615E-04 0.433381185448E-04 0.462024354903E-04 0.492560615674E-04 0.525115086099E-04
0.559821153802E-04 0.596821022222E-04 0.636266293256E-04 0.678318588411E-04 0.723150211012E-04
0.770944852161E-04 0.821898343371E-04 0.876219458924E-04 0.934130771262E-04 0.995869562912E-04
0.106168879867E-03 0.113185816205E-03 0.120666516021E-03 0.128641630188E-03 0.137143835323E-03
0.146207967660E-03 0.155871165778E-03 0.166173022762E-03 0.177155748415E-03 0.188864342192E-03
0.201346777564E-03 0.214654198560E-03 0.228841129302E-03 0.243965697383E-03 0.260089872011E-03
0.277279717881E-03 0.295605665831E-03 0.315142801379E-03 0.335971172326E-03 0.358176116681E-03
0.381848612262E-03 0.407085649390E-03 0.433990628207E-03 0.462673782250E-03 0.493252630012E-03
0.525852456329E-03 0.560606825577E-03 0.597658128777E-03 0.637158166835E-03 0.679268772317E-03
0.724162472303E-03 0.772023195015E-03 0.823047023139E-03 0.877442996890E-03 0.935433970130E-03
0.997257523028E-03 0.106316693500E-02 0.113343222188E-02 0.120834124164E-02 0.128820087308E-02
0.137333827231E-02 0.146410221232E-02 0.156086451086E-02 0.166402155266E-02 0.177399591212E-02
0.189123808310E-02 0.201622832289E-02 0.214947861787E-02 0.229153477889E-02 0.244297867491E-02
0.260443061400E-02 0.277655188143E-02 0.296004744513E-02 0.315566883962E-02 0.336421724010E-02
0.358654673923E-02 0.382356783990E-02 0.407625117820E-02 0.434563149178E-02 0.463281184963E-02
0.493896816045E-02 0.526535397800E-02 0.561330562278E-02 0.598424764087E-02 0.637969862201E-02
0.680127740039E-02 0.725070966332E-02 0.772983499435E-02 0.824061437927E-02 0.878513820531E-02
0.936563478561E-02 0.998447944331E-02 0.106442041916E-01 0.113475080490E-01 0.120972680298E-01
0.128965508562E-01 0.137486254355E-01 0.146569761547E-01 0.156253170447E-01 0.166576068690E-01
0.177580651986E-01 0.189311895349E-01 0.201817735492E-01 0.215149265097E-01 0.229360939724E-01
0.244510798168E-01 0.260660697120E-01 0.277876561036E-01 0.296228648198E-01 0.315791833964E-01
0.336645912317E-01 0.358875916844E-01 0.382572462377E-01 0.407832108570E-01 0.434757746795E-01
0.463459011780E-01 0.494052719525E-01 0.526663333102E-01 0.561423458042E-01 0.598474369091E-01
0.637966570233E-01 0.680060389966E-01 0.724926613914E-01 0.772747156982E-01 0.823715777346E-01
0.878038834706E-01 0.935936095317E-01 0.997641586447E-01 0.106340450301E+00 0.113349016925E+00
0.120818105843E+00 0.128777787364E+00 0.137260069290E+00 0.146299018181E+00 0.155930887723E+00
0.166194254523E+00 0.177130161708E+00 0.188782270658E+00 0.201197021250E+00 0.214423800957E+00
0.228515123159E+00 0.243526815015E+00 0.259518215224E+00 0.276552381985E+00 0.294696311464E+00
0.314021167009E+00 0.334602519343E+00 0.356520597904E+00 0.379860553436E+00 0.404712731863E+00
0.431172959396E+00 0.459342838694E+00 0.489330055791E+00 0.521248697343E+00 0.555219577559E+00
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pspotential valence only
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-0.379789658056E+02 -0.371577579970E+02 -0.363384972642E+02 -0.355216049809E+02 -0.347074009332E+02
-0.338961613729E+02 -0.330881837015E+02 -0.322838503173E+02 -0.314836839549E+02 -0.306883864908E+02
-0.298988653613E+02 -0.291162209872E+02 -0.283417366413E+02 -0.275768340325E+02 -0.268230227561E+02
-0.260818408398E+02 -0.253547924009E+02 -0.246432867362E+02 -0.239485824283E+02 -0.232717393566E+02
-0.226135808533E+02 -0.219746677937E+02 -0.213552858717E+02 -0.207554467100E+02 -0.201749026405E+02
-0.196131739946E+02 -0.190695866871E+02 -0.185433169571E+02 -0.180334395474E+02 -0.175389754993E+02
-0.170589361410E+02 -0.165923606379E+02 -0.161383454990E+02 -0.156960654681E+02 -0.152647861295E+02
-0.148438692120E+02 -0.144327719526E+02 -0.140310420185E+02 -0.136383094263E+02 -0.132542767148E+02
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-0.956238582002E+01 -0.927323445724E+01
core charge-density (pseudized)
0.680655423365E-09 0.725641572739E-09 0.773600964596E-09 0.824730107660E-09 0.879238498384E-09
0.937349479347E-09 0.999301154371E-09 0.106534736413E-08 0.113575872624E-08 0.121082374407E-08
0.129084998888E-08 0.137616536006E-08 0.146711942862E-08 0.156408486960E-08 0.166745898898E-08
0.177766535168E-08 0.189515551701E-08 0.202041088893E-08 0.215394468853E-08 0.229630405692E-08
0.244807229706E-08 0.260987126380E-08 0.278236391187E-08 0.296625701223E-08 0.316230404807E-08
0.337130830202E-08 0.359412614763E-08 0.383167055817E-08 0.408491484753E-08 0.435489665820E-08
0.464272221296E-08 0.494957084744E-08 0.527669984241E-08 0.562544957529E-08 0.599724901223E-08
0.639362156314E-08 0.681619132370E-08 0.726668972992E-08 0.774696265252E-08 0.825897796016E-08
0.880483358261E-08 0.938676610676E-08 0.100071599408E-07 0.106685570840E-07 0.113736675425E-07
0.121253804330E-07 0.129267758206E-07 0.137811373394E-07 0.146919656461E-07 0.156629927645E-07
0.166981973761E-07 0.178018211230E-07 0.189783859870E-07 0.202327128184E-07 0.215699410884E-07
0.229955499479E-07 0.245153806772E-07 0.261356606205E-07 0.278630287010E-07 0.297045626236E-07
0.316678078750E-07 0.337608086398E-07 0.359921407609E-07 0.383709468778E-07 0.409069738877E-07
0.436106128814E-07 0.464929417201E-07 0.495657704248E-07 0.528416895668E-07 0.563341218552E-07
0.600573771349E-07 0.640267110188E-07 0.682583873954E-07 0.727697450678E-07 0.775792687963E-07
0.827066650370E-07 0.881729426855E-07 0.940004991575E-07 0.100213212158E-06 0.106836537516E-06
0.113897613485E-06 0.121425371938E-06 0.129450656906E-06 0.138006350962E-06 0.147127509944E-06
0.156851506590E-06 0.167218183670E-06 0.178270017224E-06 0.190052290604E-06 0.202613280005E-06
0.216004452271E-06 0.230280675763E-06 0.245500445163E-06 0.261726121146E-06 0.279024185878E-06
0.297465515407E-06 0.317125670056E-06 0.338085204001E-06 0.360429995314E-06 0.384251597816E-06
0.409647616182E-06 0.436722105830E-06 0.465585999250E-06 0.496357560490E-06 0.529162869689E-06
0.564136339626E-06 0.601421266397E-06 0.641170416497E-06 0.683546652678E-06 0.728723601185E-06
0.776886363065E-06 0.828232272488E-06 0.882971705178E-06 0.941328940256E-06 0.100354307904E-05
0.106986902453E-05 0.114057852567E-05 0.121596129054E-05 0.129632617312E-05 0.138200243849E-05
0.147334111161E-05 0.157071641518E-05 0.167452730252E-05 0.178519909173E-05 0.190318520777E-05
0.202896903965E-05 0.216306592032E-05 0.230602523727E-05 0.245843268262E-05 0.262091265180E-05
0.279413080063E-05 0.297879677137E-05 0.317566709868E-05 0.338554830757E-05 0.360930021594E-05
0.384783945510E-05 0.410214322280E-05 0.437325328409E-05 0.466228023621E-05 0.497040805507E-05
0.529889894187E-05 0.564909848953E-05 0.602244119016E-05 0.642045630594E-05 0.684477412734E-05
0.729713264433E-05 0.777938465760E-05 0.829350535885E-05 0.884160041108E-05 0.942591456159E-05
0.100488408230E-04 0.107129302593E-04 0.114209024173E-04 0.121756564448E-04 0.129802829424E-04
0.138380765944E-04 0.147525496332E-04 0.157274461895E-04 0.167667575864E-04 0.178747386415E-04
0.190559250400E-04 0.203151518517E-04 0.216575732639E-04 0.230886836131E-04 0.246143397969E-04
0.262407851583E-04 0.279746749383E-04 0.298231033983E-04 0.317936327207E-04 0.338943238050E-04
0.361337690812E-04 0.385211274706E-04 0.410661616363E-04 0.437792776673E-04 0.466715673579E-04
0.497548532456E-04 0.530417365892E-04 0.565456484733E-04 0.602809042408E-04 0.642627614675E-04
0.685074817037E-04 0.730323962245E-04 0.778559760424E-04 0.829979064541E-04 0.884791664075E-04
0.943221129929E-04 0.100550571381E-03 0.107189930551E-03 0.114267245161E-03 0.121811343960E-03
0.129852945127E-03 0.138424778976E-03 0.147561718479E-03 0.157300918069E-03 0.167681961246E-03
0.178747017500E-03 0.190541009111E-03 0.203111788417E-03 0.216510326162E-03 0.230790911566E-03
0.246011364805E-03 0.262233262597E-03 0.279522177644E-03 0.297947932694E-03 0.317584870034E-03
0.338512137249E-03 0.360813990100E-03 0.384580113432E-03 0.409905961023E-03 0.436893115323E-03
0.465649668047E-03 0.496290622615E-03 0.528938319422E-03 0.563722884960E-03 0.600782705767E-03
0.640264928227E-03 0.682325985165E-03 0.727132150179E-03 0.774860120604E-03 0.825697629925E-03
0.879844090362E-03 0.937511266261E-03 0.998923978765E-03 0.106432084208E-02 0.113395503140E-02
0.120809508246E-02 0.128702572199E-02 0.137104872867E-02 0.146048382286E-02 0.155566958380E-02
0.165696439167E-02 0.176474739161E-02 0.187941947594E-02 0.200140427978E-02 0.213114918441E-02
0.226912632133E-02 0.241583356873E-02 0.257179553038E-02 0.273756448524E-02 0.291372129399E-02
0.310087624632E-02 0.329966983032E-02 0.351077340217E-02 0.373488973100E-02 0.397275339029E-02
0.422513096256E-02 0.449282101976E-02 0.477665383641E-02 0.507749078661E-02 0.539622337006E-02
0.573377180461E-02 0.609108311565E-02 0.646912864392E-02 0.686890088431E-02 0.729140955832E-02
0.773767681229E-02 0.820873142232E-02 0.870560187496E-02 0.922930818049E-02 0.978085226298E-02
0.103612067587E-01 0.109713020417E-01 0.116120112844E-01 0.122841333480E-01 0.129883732919E-01
0.137253202817E-01 0.144954226725E-01 0.152989600493E-01 0.161360120087E-01 0.170064234864E-01
0.179097664579E-01 0.188452978780E-01 0.198119137802E-01 0.208080995245E-01 0.218318762803E-01
0.228807439482E-01 0.239516208771E-01 0.250407809209E-01 0.261437886059E-01 0.272554334580E-01
0.283696648654E-01 0.294795292383E-01 0.305771116751E-01 0.316534848547E-01 0.326986684502E-01
0.337016029989E-01 0.346501428490E-01 0.355310735372E-01 0.363301596914E-01 0.370322302804E-01
0.376213086872E-01 0.380807956058E-01 0.383937130609E-01 0.385430178178E-01 0.385119919395E-01
0.382847170908E-01 0.378466371795E-01 0.371852108168E-01 0.362906506140E-01 0.351567402099E-01
0.337817118604E-01 0.321691571353E-01 0.303289305618E-01 0.282779908182E-01 0.260411064303E-01
0.236513332426E-01 0.211501500302E-01 0.185871178814E-01 0.160189105124E-01 0.135075495444E-01
0.111176750989E-01 0.891269325872E-02 0.694967463079E-02 0.527294027830E-02 0.390637125059E-02
0.284462447136E-02 0.204634105555E-02 0.145460472883E-02 0.102133087181E-02 0.708073371823E-03
0.484519558958E-03 0.327108147341E-03 0.217790418137E-03 0.142944771955E-03 0.924461358421E-04
0.588847724706E-04 0.369238866702E-04 0.227819974745E-04 0.138241719848E-04 0.824565667318E-05
0.483190804996E-05 0.278022714905E-05 0.156986819816E-05 0.869385578152E-06 0.471916061192E-06
0.250927600539E-06 0.130611975426E-06 0.665087883488E-07 0.331083796014E-07 0.161009521940E-07
0.764367183337E-08 0.353965782606E-08 0.159768325477E-08 0.702329008374E-09 0.300434573515E-09
0.124952631311E-09 0.504825516273E-10 0.197942287197E-10 0.752531117071E-11 0.277122464384E-11
0.987502501209E-12 0.340146596908E-12 0.113131008036E-12 0.362906131860E-13 0.112149279727E-13
0.333474817006E-14 0.952907632269E-15 0.261335374456E-15 0.686949545635E-16 0.172834778617E-16
0.415621394002E-17 0.953862737148E-18 0.208610125967E-18 0.434075915325E-19 0.857974812426E-20
0.160819058566E-20 0.285369383433E-21 0.478534578100E-22 0.756937854171E-23 0.112726955183E-23
0.157750098174E-24 0.207020098419E-25 0.254246621267E-26 0.291586617747E-27 0.311594459329E-28
0.309549927396E-29 0.285211910372E-30 0.243133423243E-31 0.191280930878E-32 0.138523480089E-33
0.920954428784E-35 0.560553051251E-36 0.311473608922E-37 0.157533893086E-38 0.723029790652E-40
0.300197305477E-41 0.112388359667E-42
pseudo wavefunction
0.717870221570E-04 0.741213570279E-04 0.765315986450E-04 0.790202153064E-04 0.815897555729E-04
0.842428508782E-04 0.869822182238E-04 0.898106629610E-04 0.927310816645E-04 0.957464650981E-04
0.988599012779E-04 0.102074578634E-03 0.105393789278E-03 0.108820932371E-03 0.112359517606E-03
0.116013168805E-03 0.119785627624E-03 0.123680757392E-03 0.127702547062E-03 0.131855115297E-03
0.136142714689E-03 0.140569736116E-03 0.145140713234E-03 0.149860327122E-03 0.154733411077E-03
0.159764955563E-03 0.164960113321E-03 0.170324204645E-03 0.175862722833E-03 0.181581339813E-03
0.187485911945E-03 0.193582486029E-03 0.199877305487E-03 0.206376816765E-03 0.213087675929E-03
0.220016755484E-03 0.227171151412E-03 0.234558190439E-03 0.242185437538E-03 0.250060703674E-03
0.258192053808E-03 0.266587815149E-03 0.275256585691E-03 0.284207243009E-03 0.293448953358E-03
0.302991181053E-03 0.312843698168E-03 0.323016594538E-03 0.333520288095E-03 0.344365535535E-03
0.355563443337E-03 0.367125479132E-03 0.379063483451E-03 0.391389681850E-03 0.404116697426E-03
0.417257563750E-03 0.430825738211E-03 0.444835115799E-03 0.459300043332E-03 0.474235334152E-03
0.489656283293E-03 0.505578683143E-03 0.522018839620E-03 0.538993588868E-03 0.556520314500E-03
0.574616965399E-03 0.593302074102E-03 0.612594775772E-03 0.632514827803E-03 0.653082630046E-03
0.674319245704E-03 0.696246422899E-03 0.718886616948E-03 0.742263013355E-03 0.766399551556E-03
0.791320949436E-03 0.817052728641E-03 0.843621240714E-03 0.871053694078E-03 0.899378181907E-03
0.928623710885E-03 0.958820230921E-03 0.989998665811E-03 0.102219094491E-02 0.105543003584E-02
0.108974997822E-02 0.112518591856E-02 0.116177414623E-02 0.119955213064E-02 0.123855855960E-02
0.127883337892E-02 0.132041783337E-02 0.136335450884E-02 0.140768737603E-02 0.145346183542E-02
0.150072476379E-02 0.154952456220E-02 0.159991120560E-02 0.165193629393E-02 0.170565310505E-02
0.176111664923E-02 0.181838372549E-02 0.187751297980E-02 0.193856496511E-02 0.200160220334E-02
0.206668924941E-02 0.213389275739E-02 0.220328154868E-02 0.227492668251E-02 0.234890152874E-02
0.242528184293E-02 0.250414584394E-02 0.258557429402E-02 0.266965058149E-02 0.275646080614E-02
0.284609386739E-02 0.293864155529E-02 0.303419864454E-02 0.313286299147E-02 0.323473563430E-02
0.333992089653E-02 0.344852649379E-02 0.356066364408E-02 0.367644718168E-02 0.379599567467E-02
0.391943154634E-02 0.404688120051E-02 0.417847515092E-02 0.431434815486E-02 0.445463935109E-02
0.459949240227E-02 0.474905564202E-02 0.490348222673E-02 0.506293029235E-02 0.522756311621E-02
0.539754928412E-02 0.557306286293E-02 0.575428357865E-02 0.594139700035E-02 0.613459473007E-02
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ae wavefunction
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pseudo wavefunction
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0.000000000000E+00 0.000000000000E+00
ae wavefunction
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0.000000000000E+00 0.000000000000E+00
pseudo wavefunction
0.563540864181E-08 0.600786631603E-08 0.640494061124E-08 0.682825849897E-08 0.727955448117E-08
0.776067769720E-08 0.827359950047E-08 0.882042153586E-08 0.940338435099E-08 0.100248765766E-07
0.106874447140E-07 0.113938035684E-07 0.121468473735E-07 0.129496616495E-07 0.138055358462E-07
0.147179768209E-07 0.156907232076E-07 0.167277607355E-07 0.178333385603E-07 0.190119866744E-07
0.202685344684E-07 0.216081305189E-07 0.230362636840E-07 0.245587855939E-07 0.261819346270E-07
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0.728986146632E-07 0.777166588180E-07 0.828531390472E-07 0.883291015519E-07 0.941669835268E-07
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0.885790895608E-05 0.944334712303E-05 0.100674779909E-04 0.107328588104E-04 0.114422158416E-04
0.121984555226E-04 0.130046763778E-04 0.138641817117E-04 0.147804931427E-04 0.157573650301E-04
0.167987998555E-04 0.179090646197E-04 0.190927083236E-04 0.203545806044E-04 0.216998516021E-04
0.231340331402E-04 0.246630013047E-04 0.262930205155E-04 0.280307691881E-04 0.298833670911E-04
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0.438728756096E-04 0.467724831685E-04 0.498637250954E-04 0.531592659205E-04 0.566726070607E-04
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0.299223490945E-03 0.318997282676E-03 0.340077615830E-03 0.362550794268E-03 0.386508819249E-03
0.412049765072E-03 0.439278179435E-03 0.468305510103E-03 0.499250559624E-03 0.532239969909E-03
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0.781325238632E-03 0.832947122605E-03 0.887978393930E-03 0.946644055911E-03 0.100918393764E-02
0.107585366772E-02 0.114692571143E-02 0.122269047560E-02 0.130345748531E-02 0.138955663718E-02
0.148133953409E-02 0.157918090654E-02 0.168348012603E-02 0.179466281658E-02 0.191318257027E-02
0.203952277360E-02 0.217419855148E-02 0.231775883631E-02 0.247078856992E-02 0.263391104659E-02
0.280779040588E-02 0.299313428461E-02 0.319069663749E-02 0.340128073689E-02 0.362574236248E-02
0.386499319220E-02 0.412000440650E-02 0.439181051857E-02 0.468151344377E-02 0.499028682227E-02
0.531938060933E-02 0.567012594866E-02 0.604394034467E-02 0.644233315037E-02 0.686691138804E-02
0.731938592082E-02 0.780157799379E-02 0.831542616366E-02 0.886299363705E-02 0.944647603760E-02
0.100682096227E-01 0.107306799709E-01 0.114365311621E-01 0.121885754702E-01 0.129898035926E-01
0.138433954350E-01 0.147527314741E-01 0.157214047174E-01 0.167532332798E-01 0.178522735939E-01
0.190228342703E-01 0.202694906209E-01 0.215970998561E-01 0.230108169619E-01 0.245161112602E-01
0.261187836481E-01 0.278249845082E-01 0.296412322723E-01 0.315744326123E-01 0.336318982232E-01
0.358213691494E-01 0.381510335918E-01 0.406295491177E-01 0.432660641750E-01 0.460702397936E-01
0.490522713293E-01 0.522229100787E-01 0.555934845620E-01 0.591759212344E-01 0.629827643447E-01
0.670271946152E-01 0.713230463635E-01 0.758848226312E-01 0.807277078176E-01 0.858675772448E-01
0.913210030033E-01 0.971052553355E-01 0.103238298722E+00 0.109738781726E+00 0.116626019541E+00
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0.819035465466E+00 0.798831331209E+00 0.777721981635E+00 0.755787934675E+00 0.733113356044E+00
0.709785512647E+00 0.685894167526E+00 0.661530910292E+00 0.636788426821E+00 0.611759717633E+00
0.586537281953E+00 0.561212291287E+00 0.535873781638E+00 0.510607896146E+00 0.485497205586E+00
0.460620154111E+00 0.436050597673E+00 0.411857513539E+00 0.388104828742E+00 0.364851377592E+00
0.342150965540E+00 0.320052513938E+00 0.298600256424E+00 0.277833956542E+00 0.257789117684E+00
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0.154154785745E+00 0.139818928254E+00 0.126344179934E+00 0.113728915592E+00 0.101966857495E+00
0.910470410839E-01 0.809538624583E-01 0.716672177710E-01 0.631627377902E-01 0.554121142439E-01
0.483835088475E-01 0.420420314569E-01 0.363502707625E-01 0.312688593333E-01 0.267570544913E-01
0.227733172285E-01 0.192758729338E-01 0.162232398193E-01 0.135747134141E-01 0.112907981381E-01
0.933357961775E-02 0.766703395852E-02 0.625727254179E-02 0.507272301874E-02 0.408424898420E-02
0.326521231213E-02 0.259148331194E-02
ae wavefunction
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0.470183105872E-07 0.499359582279E-07 0.530191141352E-07 0.562781638537E-07 0.597241132906E-07
0.633686291385E-07 0.672240815764E-07 0.713035898076E-07 0.756210705151E-07 0.801912892549E-07
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0.152400583275E-06 0.161550852750E-06 0.171253517581E-06 0.181542932826E-06 0.192455619674E-06
0.204030404779E-06 0.216308571060E-06 0.229334015078E-06 0.243153416083E-06 0.257816417222E-06
0.273375816871E-06 0.289887772138E-06 0.307412018887E-06 0.326012101534E-06 0.345755622003E-06
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0.492595919541E-06 0.522637026049E-06 0.554543957425E-06 0.588435006848E-06 0.624436085467E-06
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0.113516770433E-02 0.120855105852E-02 0.128663991354E-02 0.136973165085E-02 0.145814199728E-02
0.155220611170E-02 0.165227973161E-02 0.175874038246E-02 0.187198865268E-02 0.199244953728E-02
0.212057385340E-02 0.225683973077E-02 0.240175418038E-02 0.255585474482E-02 0.271971123347E-02
0.289392754615E-02 0.307914358853E-02 0.327603728299E-02 0.348532667828E-02 0.370777216155E-02
0.394417877621E-02 0.419539864910E-02 0.446233353024E-02 0.474593744862E-02 0.504721948688E-02
0.536724667827E-02 0.570714702827E-02 0.606811266380E-02 0.645140311210E-02 0.685834871134E-02
0.729035415445E-02 0.774890216752E-02 0.823555732329E-02 0.875196998966E-02 0.929988041327E-02
0.988112293607E-02 0.104976303435E-01 0.111514383409E-01 0.118446901545E-01 0.125796412519E-01
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0.323635708125E-01 0.342858192811E-01 0.363153664754E-01 0.384575646690E-01 0.407179746533E-01
0.431023683736E-01 0.456167309988E-01 0.482672623522E-01 0.510603776234E-01 0.540027072802E-01
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0.751881527367E-01 0.793782441592E-01 0.837779931847E-01 0.883957833004E-01 0.932401461192E-01
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0.208757177785E+00 0.218785714709E+00 0.229188883527E+00 0.239971890013E+00 0.251139222087E+00
0.262694573450E+00 0.274640764784E+00 0.286979662805E+00 0.299712097432E+00 0.312837777352E+00
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0.908735290203E+00 0.920455037628E+00 0.931186537640E+00 0.940864978815E+00 0.949428531581E+00
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0.819035465466E+00 0.798831331209E+00 0.777721981635E+00 0.755787934675E+00 0.733113356044E+00
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0.342150965540E+00 0.320052513938E+00 0.298600256424E+00 0.277833956542E+00 0.257789117684E+00
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0.910470410839E-01 0.809538624583E-01 0.716672177710E-01 0.631627377902E-01 0.554121142439E-01
0.483835088475E-01 0.420420314569E-01 0.363502707625E-01 0.312688593333E-01 0.267570544913E-01
0.227733172285E-01 0.192758729338E-01 0.162232398193E-01 0.135747134141E-01 0.112907981381E-01
0.933357961775E-02 0.766703395852E-02 0.625727254179E-02 0.507272301874E-02 0.408424898420E-02
0.326521231213E-02 0.259148331194E-02
pseudo wavefunction
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ae wavefunction
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End of Dataset
PAW_PBE H 15Jun2001
1.00000000000000
parameters from PSCTR are:
VRHFIN =H: ultrasoft test
LEXCH = PE
EATOM = 12.4884 eV, 0.9179 Ry
TITEL = PAW_PBE H 15Jun2001
LULTRA = F use ultrasoft PP ?
IUNSCR = 0 unscreen: 0-lin 1-nonlin 2-no
RPACOR = 0.000 partial core radius
POMASS = 1.000; ZVAL = 1.000 mass and valenz
RCORE = 1.100 outmost cutoff radius
RWIGS = 0.700; RWIGS = 0.370 wigner-seitz radius (au A)
ENMAX = 250.000; ENMIN = 200.000 eV
RCLOC = 0.701 cutoff for local pot
LCOR = T correct aug charges
LPAW = T paw PP
EAUG = 400.000
RMAX = 1.123 core radius for proj-oper
RAUG = 1.200 factor for augmentation sphere
RDEP = 1.112 radius for radial grids
RDEPT = 0.926 core radius for aug-charge
Atomic configuration
2 entries
n l j E occ.
1 0 0.50 -6.4927 1.0000
2 1 0.50 -3.4015 0.0000
Description
l E TYP RCUT TYP RCUT
0 -6.4927494 23 1.100
0 6.8029130 23 1.100
1 -4.0817478 23 1.100
Error from kinetic energy argument (eV)
NDATA = 100
STEP = 20.000 1.050
5.77 5.50 5.37 5.11 4.99 4.75 4.52 4.40
4.19 3.98 3.88 3.68 3.49 3.31 3.14 2.98
2.83 2.68 2.54 2.35 2.22 2.11 1.94 1.84
1.74 1.61 1.48 1.40 1.29 1.19 1.09 1.01
0.925 0.851 0.782 0.719 0.642 0.590 0.526 0.482
0.430 0.382 0.339 0.301 0.267 0.236 0.209 0.178
0.157 0.133 0.113 0.988E-01 0.832E-01 0.697E-01 0.562E-01 0.467E-01
0.386E-01 0.305E-01 0.239E-01 0.186E-01 0.143E-01 0.109E-01 0.820E-02 0.580E-02
0.425E-02 0.291E-02 0.195E-02 0.130E-02 0.808E-03 0.544E-03 0.368E-03 0.278E-03
0.239E-03 0.227E-03 0.225E-03 0.224E-03 0.218E-03 0.204E-03 0.181E-03 0.156E-03
0.127E-03 0.983E-04 0.735E-04 0.520E-04 0.369E-04 0.274E-04 0.225E-04 0.204E-04
0.201E-04 0.200E-04 0.193E-04 0.178E-04 0.151E-04 0.121E-04 0.914E-05 0.676E-05
0.512E-05 0.437E-05 0.412E-05 0.410E-05
END of PSCTR-controll parameters
local part
170.075338972103
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0.80796153E-02 0.80599563E-02 0.80403940E-02 0.80209411E-02 0.80016097E-02
0.79824109E-02 0.79633552E-02 0.79444518E-02 0.79257089E-02 0.79071337E-02
0.78887320E-02 0.78705084E-02 0.78524662E-02 0.78346073E-02 0.78169327E-02
0.77994416E-02 0.77821323E-02 0.77650018E-02 0.77480461E-02 0.77312597E-02
0.77146366E-02 0.76981692E-02 0.76818496E-02 0.76656686E-02 0.76496164E-02
0.76336827E-02 0.76178563E-02 0.76021257E-02 0.75864791E-02 0.75709043E-02
0.75553893E-02 0.75399216E-02 0.75244892E-02 0.75090803E-02 0.74936835E-02
0.74782877E-02 0.74628829E-02 0.74474592E-02 0.74320081E-02 0.74165217E-02
0.74009930E-02 0.73854163E-02 0.73697867E-02 0.73541005E-02 0.73383551E-02
0.73225489E-02 0.73066816E-02 0.72907538E-02 0.72747672E-02 0.72587245E-02
0.72426295E-02 0.72264869E-02 0.72103023E-02 0.71940821E-02 0.71778338E-02
0.71615653E-02 0.71452853E-02 0.71290031E-02 0.71127286E-02 0.70964719E-02
0.70802435E-02 0.70640541E-02 0.70479144E-02 0.70318352E-02 0.70158268E-02
0.69998996E-02 0.69840634E-02 0.69683274E-02 0.69527005E-02 0.69371907E-02
0.69218054E-02 0.69065510E-02 0.68914332E-02 0.68764567E-02 0.68616255E-02
0.68469424E-02 0.68324093E-02 0.68180272E-02 0.68037962E-02 0.67897153E-02
0.67757826E-02 0.67619954E-02 0.67483499E-02 0.67348415E-02 0.67214650E-02
0.67082139E-02 0.66950815E-02 0.66820600E-02 0.66691414E-02 0.66563167E-02
0.66435770E-02 0.66309126E-02 0.66183138E-02 0.66057709E-02 0.65932738E-02
0.65808130E-02 0.65683787E-02 0.65559616E-02 0.65435530E-02 0.65311442E-02
0.65187274E-02 0.65062953E-02 0.64938412E-02 0.64813592E-02 0.64688439E-02
0.64562910E-02 0.64436966E-02 0.64310580E-02 0.64183730E-02 0.64056404E-02
0.63928596E-02 0.63800311E-02 0.63671561E-02 0.63542365E-02 0.63412751E-02
0.63282753E-02 0.63152413E-02 0.63021781E-02 0.62890910E-02 0.62759860E-02
gradient corrections used for XC
5
atomic pseudo charge-density
0.10000000E+01 0.99507271E+00 0.98052707E+00 0.95704568E+00 0.92568373E+00
0.88776197E+00 0.84474519E+00 0.79812454E+00 0.74931839E+00 0.69959966E+00
0.65005177E+00 0.60155049E+00 0.55476631E+00 0.51018082E+00 0.46811135E+00
0.42873902E+00 0.39213662E+00 0.35829427E+00 0.32714173E+00 0.29856681E+00
0.27243019E+00 0.24857680E+00 0.22684441E+00 0.20706984E+00 0.18909339E+00
0.17276170E+00 0.15792970E+00 0.14446162E+00 0.13223147E+00 0.12112317E+00
0.11103030E+00 0.10185573E+00 0.93511122E-01 0.85916370E-01 0.78998981E-01
0.72693483E-01 0.66940835E-01 0.61687850E-01 0.56886663E-01 0.52494223E-01
0.48471824E-01 0.44784673E-01 0.41401501E-01 0.38294197E-01 0.35437485E-01
0.32808629E-01 0.30387170E-01 0.28154684E-01 0.26094570E-01 0.24191860E-01
0.22433043E-01 0.20805918E-01 0.19299454E-01 0.17903669E-01 0.16609522E-01
0.15408814E-01 0.14294104E-01 0.13258632E-01 0.12296247E-01 0.11401351E-01
0.10568838E-01 0.97940489E-02 0.90727275E-02 0.84009799E-02 0.77752401E-02
0.71922383E-02 0.66489732E-02 0.61426860E-02 0.56708380E-02 0.52310902E-02
0.48212851E-02 0.44394298E-02 0.40836812E-02 0.37523329E-02 0.34438028E-02
0.31566226E-02 0.28894274E-02 0.26409474E-02 0.24099994E-02 0.21954799E-02
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0.32398414E-03 0.27298355E-03 0.22695333E-03 0.18554536E-03 0.14843054E-03
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0.95172586E-05 0.10498036E-04 0.11306680E-04 0.11950953E-04 0.12439230E-04
0.12780382E-04 0.12983670E-04 0.13058643E-04 0.13015047E-04 0.12862735E-04
0.12611591E-04 0.12271451E-04 0.11852046E-04 0.11362931E-04 0.10813439E-04
0.10212627E-04 0.95692387E-05 0.88916613E-05 0.81878987E-05 0.74655424E-05
0.67317501E-05 0.59932278E-05 0.52562170E-05 0.45264854E-05 0.38093217E-05
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0.57758491E-06 0.71195121E-06 0.83405141E-06 0.94361370E-06 0.10404702E-05
0.11245524E-05 0.11958865E-05 0.12545883E-05 0.13008573E-05 0.13349715E-05
0.13572809E-05 0.13682019E-05 0.13682106E-05 0.13578370E-05 0.13376583E-05
0.13082928E-05 0.12703935E-05 0.12246421E-05 0.11717430E-05 0.11124172E-05
0.10473968E-05 0.97741954E-06 0.90322336E-06 0.82554157E-06 0.74509805E-06
0.66260285E-06 0.57874797E-06 0.49420362E-06 0.40961464E-06 0.32559736E-06
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0.27920072E-06 0.29330316E-06 0.30477589E-06 0.31361809E-06 0.31984759E-06
0.32350017E-06 0.32462878E-06 0.32330264E-06 0.31960635E-06 0.31363875E-06
0.30551194E-06 0.29535001E-06 0.28328790E-06 0.26947017E-06 0.25404964E-06
0.23718618E-06 0.21904536E-06 0.19979715E-06 0.17961459E-06 0.15867254E-06
0.13714637E-06 0.11521074E-06 0.93038375E-07 0.70798934E-07 0.48657882E-07
0.26775443E-07 0.53056120E-08 -0.15604769E-07 -0.35816858E-07 -0.55200584E-07
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0.85171220E-07 0.93173168E-07 0.10027296E-06 0.10643744E-06 0.11164119E-06
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0.71847455E-07 0.63642813E-07 0.55126678E-07 0.46371129E-07 0.37448538E-07
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0.33787780E-07 0.38105922E-07 0.42040347E-07 0.45567830E-07 0.48668748E-07
0.51327172E-07 0.53530909E-07 0.55271536E-07 0.56544387E-07 0.57348522E-07
0.57686661E-07 0.57565098E-07 0.56993581E-07 0.55985174E-07 0.54556096E-07
0.52725530E-07 0.50515426E-07 0.47950275E-07 0.45056873E-07 0.41864071E-07
0.38402512E-07 0.34704359E-07 0.30803023E-07 0.26732870E-07 0.22528949E-07
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0.60764355E-09 0.10461794E-08 0.14701884E-08 0.18762650E-08 0.22611975E-08
0.26219934E-08 0.29559019E-08 0.32604343E-08 0.35333822E-08 0.37728334E-08
0.39771851E-08 0.41451534E-08 0.42757806E-08 0.43684391E-08 0.44228326E-08
0.44389952E-08 0.44172871E-08 0.43583880E-08 0.42632864E-08 0.41332674E-08
0.39698979E-08 0.37750103E-08 0.35506830E-08 0.32992204E-08 0.30231294E-08
0.27250951E-08 0.24079556E-08 0.20746757E-08 0.17283203E-08 0.13720269E-08
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-0.79666932E-09 -0.11344482E-08 -0.14577675E-08 -0.17640519E-08 -0.20509075E-08
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0.90772590E-09 0.11571279E-08 0.13925594E-08 0.16121782E-08 0.18143092E-08
0.19974559E-08 0.21603108E-08 0.23017642E-08 0.24209115E-08 0.25170591E-08
0.25897272E-08 0.26386511E-08 0.26637797E-08 0.26652723E-08 0.26434944E-08
0.25990115E-08 0.25325821E-08 0.24451476E-08 0.23378207E-08 0.22118726E-08
0.20687187E-08 0.19099044E-08 0.17370893E-08 0.15520315E-08 0.13565700E-08
0.11526064E-08 0.94208642E-09 0.72698183E-09 0.50927260E-09 0.29092981E-09
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0.19005491E-09 0.33777816E-09 0.47928315E-09 0.61340079E-09 0.73905256E-09
0.85525968E-09 0.96115109E-09 0.10559696E-08 0.11390764E-08 0.12099541E-08
0.12682090E-08 0.13135729E-08 0.13459040E-08 0.13651864E-08 0.13715280E-08
0.13651565E-08 0.13464140E-08 0.13157514E-08 0.12737218E-08 0.12209744E-08
0.11582468E-08 0.10863562E-08 0.10061901E-08 0.91869452E-09 0.82486429E-09
0.72573186E-09 0.62235757E-09 0.51581957E-09 0.40720333E-09 0.29759065E-09
0.18804839E-09 0.79617864E-10 -0.26694861E-10 -0.12992735E-09 -0.22916843E-09
-0.32356550E-09 -0.41233183E-09 -0.49475360E-09 -0.57019611E-09 -0.63810863E-09
-0.69802753E-09 -0.74957813E-09 -0.79247588E-09 -0.82652720E-09 -0.85163006E-09
-0.86777396E-09 -0.87503857E-09 -0.87359079E-09 -0.86368046E-09 -0.84563529E-09
-0.81985561E-09 -0.78680923E-09 -0.74702617E-09 -0.70109273E-09 -0.64964445E-09
-0.59335802E-09 -0.53294258E-09 -0.46913126E-09 -0.40267319E-09 -0.33432629E-09
-0.26485010E-09 -0.19499832E-09 -0.12551082E-09 -0.57105287E-10 0.95305931E-11
0.73746064E-10 0.13493289E-09 0.19253002E-09 0.24602779E-09 0.29497228E-09
0.33896962E-09 0.37768995E-09 0.41087033E-09 0.43831615E-09 0.45990107E-09
0.47556609E-09 0.48531828E-09 0.48922963E-09 0.48743576E-09 0.48013408E-09
0.46758068E-09 0.45008598E-09 0.42800915E-09 0.40175226E-09 0.37175461E-09
34.2040403932785 T
Non local Part
0 2 0.594199078900351
-1.78821932145992 -2.97948220375297 -2.97948220375297
-4.86951231451956
Reciprocal Space Part
0.18925024E+02 0.18753244E+02 0.18241190E+02 0.17398641E+02 0.16241658E+02
0.14792226E+02 0.13077777E+02 0.11130586E+02 0.89870706E+01 0.66869981E+01
0.42726328E+01 0.17878314E+01 -0.72288486E+00 -0.32152612E+01 -0.56462225E+01
-0.79747469E+01 -0.10162679E+02 -0.12175468E+02 -0.13982809E+02 -0.15559178E+02
-0.16884251E+02 -0.17943198E+02 -0.18726842E+02 -0.19231691E+02 -0.19459846E+02
-0.19418769E+02 -0.19120958E+02 -0.18583499E+02 -0.17827533E+02 -0.16877652E+02
-0.15761228E+02 -0.14507703E+02 -0.13147858E+02 -0.11713076E+02 -0.10234617E+02
-0.87429281E+01 -0.72669933E+01 -0.58337520E+01 -0.44675860E+01 -0.31898917E+01
-0.20187428E+01 -0.96864912E+00 -0.50413695E-01 0.72891258E+00 0.13659809E+01
0.18610048E+01 0.22175383E+01 0.24421811E+01 0.25442210E+01 0.25352276E+01
0.24286080E+01 0.22391400E+01 0.19824943E+01 0.16747613E+01 0.13319932E+01
0.96977378E+00 0.60282627E+00 0.24466820E+00 -0.92679993E-01 -0.39892687E+00
-0.66567918E+00 -0.88654687E+00 -0.10571842E+01 -0.11752696E+01 -0.12404272E+01
-0.12540967E+01 -0.12193576E+01 -0.11407144E+01 -0.10238539E+01 -0.87537989E+00
-0.70253781E+00 -0.51293552E+00 -0.31427052E+00 -0.11407096E+00 0.80542405E-01
0.26306687E+00 0.42779621E+00 0.56996294E+00 0.68584203E+00 0.77281476E+00
0.82939296E+00 0.85520488E+00 0.85094532E+00 0.81829337E+00 0.75980224E+00
0.67876615E+00 0.57906982E+00 0.46502638E+00 0.34120952E+00 0.21228587E+00
0.82852854E-01 -0.42712696E-01 -0.16039078E+00 -0.26663557E+00 -0.35847089E+00
-0.43356164E+00 -0.49026014E+00 -0.52762691E+00 -0.54542645E+00 -0.54409949E+00
Real Space Part
-0.40771874E+03 -0.40753896E+03 -0.40699980E+03 -0.40610179E+03 -0.40484584E+03
-0.40323317E+03 -0.40126543E+03 -0.39894456E+03 -0.39627294E+03 -0.39325326E+03
-0.38988862E+03 -0.38618249E+03 -0.38213873E+03 -0.37776160E+03 -0.37305575E+03
-0.36802623E+03 -0.36267853E+03 -0.35701856E+03 -0.35105263E+03 -0.34478754E+03
-0.33823053E+03 -0.33138928E+03 -0.32427199E+03 -0.31688731E+03 -0.30924442E+03
-0.30135300E+03 -0.29322326E+03 -0.28486596E+03 -0.27629239E+03 -0.26751445E+03
-0.25854458E+03 -0.24939585E+03 -0.24008192E+03 -0.23061710E+03 -0.22101631E+03
-0.21129516E+03 -0.20146991E+03 -0.19155749E+03 -0.18157555E+03 -0.17154243E+03
-0.16147720E+03 -0.15139966E+03 -0.14133033E+03 -0.13129052E+03 -0.12130225E+03
-0.11138833E+03 -0.10157234E+03 -0.91878614E+02 -0.82332275E+02 -0.72959210E+02
-0.63786081E+02 -0.54840313E+02 -0.46150094E+02 -0.37744362E+02 -0.29652792E+02
-0.21905789E+02 -0.14534463E+02 -0.75706153E+01 -0.10467120E+01 0.50041396E+01
0.10548223E+02 0.15551203E+02 0.19976833E+02 0.23947352E+02 0.28057103E+02
0.32338822E+02 0.36756611E+02 0.41274501E+02 0.45854087E+02 0.50457194E+02
0.55044366E+02 0.59574678E+02 0.64009290E+02 0.68302968E+02 0.72418209E+02
0.76306628E+02 0.79930545E+02 0.83241124E+02 0.86197352E+02 0.88754146E+02
0.90864763E+02 0.92488430E+02 0.93575677E+02 0.94085369E+02 0.93971950E+02
0.93189061E+02 0.91697272E+02 0.89448671E+02 0.86402820E+02 0.82519024E+02
0.77752053E+02 0.72065975E+02 0.65420062E+02 0.57774350E+02 0.49096829E+02
0.39342887E+02 0.28494130E+02 0.16679271E+02 0.24365950E+01 0.00000000E+00
Reciprocal Space Part
-0.84380410E+01 -0.83422438E+01 -0.80567334E+01 -0.75871107E+01 -0.69425723E+01
-0.61357053E+01 -0.51822091E+01 -0.41005476E+01 -0.29115427E+01 -0.16379187E+01
-0.30380665E+00 0.10657764E+01 0.24454634E+01 0.38100749E+01 0.51351445E+01
0.63974224E+01 0.75753432E+01 0.86494483E+01 0.96027546E+01 0.10421059E+02
0.11093177E+02 0.11611104E+02 0.11970108E+02 0.12168737E+02 0.12208760E+02
0.12095033E+02 0.11835297E+02 0.11439917E+02 0.10921569E+02 0.10294884E+02
0.95760537E+01 0.87824183E+01 0.79320389E+01 0.70432682E+01 0.61343304E+01
0.52229190E+01 0.43258233E+01 0.34585913E+01 0.26352349E+01 0.18679857E+01
0.11671029E+01 0.54073871E+00 -0.51398183E-02 -0.46677084E+00 -0.84256280E+00
-0.11330071E+01 -0.13405429E+01 -0.14693797E+01 -0.15252839E+01 -0.15153369E+01
-0.14476719E+01 -0.13311980E+01 -0.11753186E+01 -0.98965315E+00 -0.78376785E+00
-0.56692421E+00 -0.34784975E+00 -0.13453686E+00 0.65926241E-01 0.24748936E+00
0.40523719E+00 0.53544814E+00 0.63561572E+00 0.70443365E+00 0.74174714E+00
0.74847352E+00 0.72649622E+00 0.67853658E+00 0.60800854E+00 0.51886135E+00
0.41541576E+00 0.30219888E+00 0.18378284E+00 0.64631822E-01 -0.51038094E-01
-0.15938292E+00 -0.25703544E+00 -0.34118841E+00 -0.40965496E+00 -0.46090536E+00
-0.49408034E+00 -0.50898186E+00 -0.50604272E+00 -0.48627714E+00 -0.45121495E+00
-0.40282234E+00 -0.34341239E+00 -0.27554896E+00 -0.20194725E+00 -0.12537458E+00
-0.48554605E-01 0.25922105E-01 0.95678383E-01 0.15861958E+00 0.21298966E+00
0.25741315E+00 0.29092207E+00 0.31296789E+00 0.32341870E+00 0.32254242E+00
Real Space Part
0.25837316E+03 0.25826205E+03 0.25792885E+03 0.25737389E+03 0.25659772E+03
0.25560112E+03 0.25438510E+03 0.25295089E+03 0.25129994E+03 0.24943396E+03
0.24735486E+03 0.24506480E+03 0.24256618E+03 0.23986166E+03 0.23695411E+03
0.23384669E+03 0.23054280E+03 0.22704609E+03 0.22336050E+03 0.21949022E+03
0.21543976E+03 0.21121386E+03 0.20681758E+03 0.20225630E+03 0.19753567E+03
0.19266166E+03 0.18764058E+03 0.18247905E+03 0.17718404E+03 0.17176285E+03
0.16622314E+03 0.16057294E+03 0.15482062E+03 0.14897495E+03 0.14304509E+03
0.13704057E+03 0.13097133E+03 0.12484773E+03 0.11868051E+03 0.11248087E+03
0.10626040E+03 0.10003117E+03 0.93805629E+02 0.87596714E+02 0.81417789E+02
0.75282668E+02 0.69205618E+02 0.63201357E+02 0.57285056E+02 0.51472335E+02
0.45779265E+02 0.40222362E+02 0.34818582E+02 0.29585317E+02 0.24540384E+02
0.19702020E+02 0.15088866E+02 0.10719959E+02 0.66147158E+01 0.27929175E+01
-0.72531069E+00 -0.39194941E+01 -0.67680320E+01 -0.93444442E+01 -0.12005009E+02
-0.14768401E+02 -0.17612181E+02 -0.20513962E+02 -0.23449994E+02 -0.26396758E+02
-0.29330056E+02 -0.32224898E+02 -0.35057623E+02 -0.37800836E+02 -0.40431827E+02
-0.42921481E+02 -0.45247126E+02 -0.47379523E+02 -0.49294153E+02 -0.50964143E+02
-0.52361696E+02 -0.53462620E+02 -0.54237620E+02 -0.54662401E+02 -0.54710098E+02
-0.54353424E+02 -0.53569243E+02 -0.52329443E+02 -0.50610382E+02 -0.48388306E+02
-0.45636819E+02 -0.42335059E+02 -0.38459367E+02 -0.33986566E+02 -0.28898211E+02
-0.23168446E+02 -0.16786908E+02 -0.98299898E+01 -0.14364499E+01 0.00000000E+00
Non local Part
1 1 0.594199078900351
-0.477478817810334
Reciprocal Space Part
0.00000000E+00 0.15279168E+00 0.30752124E+00 0.46604653E+00 0.63006765E+00
0.80105405E+00 0.98017828E+00 0.11682588E+01 0.13657131E+01 0.15725231E+01
0.17882131E+01 0.20118422E+01 0.22420100E+01 0.24768769E+01 0.27141978E+01
0.29513677E+01 0.31854799E+01 0.34133929E+01 0.36318064E+01 0.38373418E+01
0.40266279E+01 0.41963873E+01 0.43435215E+01 0.44651933E+01 0.45589034E+01
0.46225593E+01 0.46545348E+01 0.46537180E+01 0.46195474E+01 0.45520344E+01
0.44517717E+01 0.43199273E+01 0.41582255E+01 0.39689131E+01 0.37547138E+01
0.35187715E+01 0.32645831E+01 0.29959239E+01 0.27167668E+01 0.24311973E+01
0.21433272E+01 0.18572087E+01 0.15767505E+01 0.13056396E+01 0.10472690E+01
0.80467403E+00 0.58047788E+00 0.37684898E+00 0.19546929E+00 0.37515357E-01
-0.96348385E-01 -0.20596384E+00 -0.29166167E+00 -0.35423266E+00 -0.39488898E+00
-0.41521676E+00 -0.41712134E+00 -0.40276697E+00 -0.37451262E+00 -0.33484566E+00
-0.28631536E+00 -0.23146775E+00 -0.17278367E+00 -0.11262148E+00 -0.53165628E-01
0.36175780E-02 0.56016277E-01 0.10260074E+00 0.14224207E+00 0.17412178E+00
0.19773248E+00 0.21286995E+00 0.21961732E+00 0.21832218E+00 0.20956746E+00
0.19413743E+00 0.17297989E+00 0.14716579E+00 0.11784774E+00 0.86218533E-01
0.53470926E-01 0.20759875E-01 -0.10831888E-01 -0.40323998E-01 -0.66863680E-01
-0.89745523E-01 -0.10842549E+00 -0.12252907E+00 -0.13185353E+00 -0.13636468E+00
-0.13618832E+00 -0.13159712E+00 -0.12299346E+00 -0.11088897E+00 -0.95881731E-01
-0.78631844E-01 -0.59836272E-01 -0.40203856E-01 -0.20431252E-01 -0.11805371E-02
Real Space Part
0.00000000E+00 0.36016470E+01 0.71942522E+01 0.10768800E+02 0.14316325E+02
0.17827942E+02 0.21294866E+02 0.24708440E+02 0.28060163E+02 0.31341709E+02
0.34544954E+02 0.37662004E+02 0.40685209E+02 0.43607194E+02 0.46420881E+02
0.49119503E+02 0.51696633E+02 0.54146202E+02 0.56462517E+02 0.58640278E+02
0.60674600E+02 0.62561027E+02 0.64295548E+02 0.65874613E+02 0.67295142E+02
0.68554544E+02 0.69650724E+02 0.70582093E+02 0.71347581E+02 0.71946638E+02
0.72379246E+02 0.72645920E+02 0.72747716E+02 0.72686227E+02 0.72463589E+02
0.72082479E+02 0.71546110E+02 0.70858231E+02 0.70023121E+02 0.69045580E+02
0.67930924E+02 0.66684975E+02 0.65314048E+02 0.63824939E+02 0.62224913E+02
0.60521687E+02 0.58723413E+02 0.56838660E+02 0.54876394E+02 0.52845959E+02
0.50757054E+02 0.48619706E+02 0.46444251E+02 0.44241304E+02 0.42021734E+02
0.39796636E+02 0.37577302E+02 0.35375190E+02 0.33201894E+02 0.31069116E+02
0.28988627E+02 0.26972250E+02 0.25032102E+02 0.23146954E+02 0.21198081E+02
0.19186272E+02 0.17126556E+02 0.15033706E+02 0.12922679E+02 0.10808038E+02
0.87042218E+01 0.66255492E+01 0.45854845E+01 0.25982885E+01 0.67621131E+00
-0.11668827E+01 -0.29197381E+01 -0.45694937E+01 -0.61053510E+01 -0.75163038E+01
-0.87916195E+01 -0.99222707E+01 -0.10898201E+02 -0.11711497E+02 -0.12354019E+02
-0.12818083E+02 -0.13097844E+02 -0.13186511E+02 -0.13079209E+02 -0.12771576E+02
-0.12258995E+02 -0.11539032E+02 -0.10608916E+02 -0.94665225E+01 -0.81115752E+01
-0.65421253E+01 -0.47610403E+01 -0.27960553E+01 -0.41220264E+00 0.00000000E+00
PAW radial sets
363 0.520134355386775
(5E20.12)
augmentation charges (non sperical)
0.136235920566E-01 0.259291988841E-01 0.160051128787E-02 0.259291988841E-01 0.489927346999E-01
0.414104798650E-02 0.160051128787E-02 0.414104798650E-02 -0.308695800982E-02
uccopancies in atom
0.999999998693E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
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grid
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aepotential
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core charge-density
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kinetic energy-density
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local pseudopotential core
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-0.191374976575E+02 -0.185576198385E+02 -0.179953113192E+02
pspotential valence only
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-0.687751878849E+01 -0.692676562062E+01 -0.698362829905E+01 -0.704793447378E+01 -0.711936876866E+01
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-0.750660579095E+01 -0.744883026007E+01 -0.738941079276E+01
core charge-density (pseudized)
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0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
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0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
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0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
pseudo wavefunction
0.414785367787E-04 0.427746371994E-04 0.441112375129E-04 0.454896032396E-04 0.469110394440E-04
0.483768919707E-04 0.498885487186E-04 0.514474409548E-04 0.530550446701E-04 0.547128819762E-04
0.564225225471E-04 0.581855851051E-04 0.600037389534E-04 0.618787055569E-04 0.638122601720E-04
0.658062335272E-04 0.678625135570E-04 0.699830471888E-04 0.721698421869E-04 0.744249690528E-04
0.767505629864E-04 0.791488259071E-04 0.816220285387E-04 0.841725125594E-04 0.868026928191E-04
0.895150596257E-04 0.923121811028E-04 0.951967056217E-04 0.981713643084E-04 0.101238973630E-03
0.104402438061E-03 0.107664752833E-03 0.111029006771E-03 0.114498385221E-03 0.118076173058E-03
0.121765757805E-03 0.125570632834E-03 0.129494400680E-03 0.133540776443E-03 0.137713591314E-03
0.142016796198E-03 0.146454465457E-03 0.151030800765E-03 0.155750135088E-03 0.160616936788E-03
0.165635813850E-03 0.170811518247E-03 0.176148950441E-03 0.181653164020E-03 0.187329370483E-03
0.193182944178E-03 0.199219427384E-03 0.205444535565E-03 0.211864162779E-03 0.218484387257E-03
0.225311477159E-03 0.232351896512E-03 0.239612311324E-03 0.247099595901E-03 0.254820839354E-03
0.262783352309E-03 0.270994673833E-03 0.279462578567E-03 0.288195084092E-03 0.297200458517E-03
0.306487228309E-03 0.316064186364E-03 0.325940400336E-03 0.336125221219E-03 0.346628292200E-03
0.357459557795E-03 0.368629273256E-03 0.380148014289E-03 0.392026687062E-03 0.404276538534E-03
0.416909167100E-03 0.429936533579E-03 0.443370972532E-03 0.457225203944E-03 0.471512345266E-03
0.486245923835E-03 0.501439889685E-03 0.517108628749E-03 0.533266976484E-03 0.549930231917E-03
0.567114172129E-03 0.584835067193E-03 0.603109695579E-03 0.621955360039E-03 0.641389903992E-03
0.661431728415E-03 0.682099809267E-03 0.703413715453E-03 0.725393627355E-03 0.748060355938E-03
0.771435362451E-03 0.795540778750E-03 0.820399428249E-03 0.846034847532E-03 0.872471308636E-03
0.899733842030E-03 0.927848260314E-03 0.956841182660E-03 0.986740060012E-03 0.101757320108E-02
0.104936979913E-02 0.108215995964E-02 0.111597472880E-02 0.115084612288E-02 0.118680715859E-02
0.122389188428E-02 0.126213541224E-02 0.130157395188E-02 0.134224484406E-02 0.138418659640E-02
0.142743891978E-02 0.147204276590E-02 0.151804036608E-02 0.156547527119E-02 0.161439239296E-02
0.166483804643E-02 0.171685999380E-02 0.177050748970E-02 0.182583132776E-02 0.188288388872E-02
0.194171919003E-02 0.200239293696E-02 0.206496257533E-02 0.212948734592E-02 0.219602834053E-02
0.226464855980E-02 0.233541297287E-02 0.240838857884E-02 0.248364447025E-02 0.256125189841E-02
0.264128434088E-02 0.272381757101E-02 0.280892972967E-02 0.289670139919E-02 0.298721567961E-02
0.308055826737E-02 0.317681753640E-02 0.327608462172E-02 0.337845350573E-02 0.348402110710E-02
0.359288737254E-02 0.370515537131E-02 0.382093139279E-02 0.394032504703E-02 0.406344936843E-02
0.419042092274E-02 0.432135991728E-02 0.445639031465E-02 0.459563995005E-02 0.473924065212E-02
0.488732836767E-02 0.504004329024E-02 0.519752999266E-02 0.535993756379E-02 0.552741974947E-02
0.570013509785E-02 0.587824710933E-02 0.606192439106E-02 0.625134081632E-02 0.644667568884E-02
0.664811391223E-02 0.685584616468E-02 0.707006907908E-02 0.729098542879E-02 0.751880431907E-02
0.775374138462E-02 0.799601899308E-02 0.824586645497E-02 0.850352024011E-02 0.876922420069E-02
0.904322980136E-02 0.932579635636E-02 0.961719127403E-02 0.991769030887E-02 0.102275778214E-01
0.105471470461E-01 0.108767003676E-01 0.112165496050E-01 0.115670163059E-01 0.119284320486E-01
0.123011387538E-01 0.126854890063E-01 0.130818463860E-01 0.134905858093E-01 0.139120938812E-01
0.143467692580E-01 0.147950230206E-01 0.152572790602E-01 0.157339744748E-01 0.162255599782E-01
0.167325003215E-01 0.172552747271E-01 0.177943773362E-01 0.183503176692E-01 0.189236211007E-01
0.195148293481E-01 0.201245009754E-01 0.207532119118E-01 0.214015559855E-01 0.220701454738E-01
0.227596116692E-01 0.234706054626E-01 0.242037979426E-01 0.249598810139E-01 0.257395680323E-01
0.265435944586E-01 0.273727185319E-01 0.282277219614E-01 0.291094106381E-01 0.300186153670E-01
0.309561926200E-01 0.319230253087E-01 0.329200235802E-01 0.339481256339E-01 0.350082985601E-01
0.361015392022E-01 0.372288750413E-01 0.383913651041E-01 0.395901008945E-01 0.408262073491E-01
0.421008438169E-01 0.434152050633E-01 0.447705222981E-01 0.461680642294E-01 0.476091381406E-01
0.490950909928E-01 0.506273105521E-01 0.522072265401E-01 0.538363118098E-01 0.555160835441E-01
0.572481044777E-01 0.590339841421E-01 0.608753801312E-01 0.627739993889E-01 0.647315995152E-01
0.667499900910E-01 0.688310340195E-01 0.709766488824E-01 0.731888083088E-01 0.754695433540E-01
0.778209438860E-01 0.802451599766E-01 0.827444032925E-01 0.853209484837E-01 0.879771345639E-01
0.907153662777E-01 0.935381154496E-01 0.964479223078E-01 0.994473967758E-01 0.102539219724E+00
0.105726144173E+00 0.109010996438E+00 0.112396677203E+00 0.115886162516E+00 0.119482504687E+00
0.123188833080E+00 0.127008354774E+00 0.130944355091E+00 0.135000197951E+00 0.139179326050E+00
0.143485260827E+00 0.147921602201E+00 0.152492028045E+00 0.157200293368E+00 0.162050229166E+00
0.167045740922E+00 0.172190806688E+00 0.177489474731E+00 0.182945860675E+00 0.188564144105E+00
0.194348564557E+00 0.200303416853E+00 0.206433045696E+00 0.212741839465E+00 0.219234223136E+00
0.225914650223E+00 0.232787593684E+00 0.239857535657E+00 0.247128955958E+00 0.254606319203E+00
0.262294060450E+00 0.270196569233E+00 0.278318171849E+00 0.286663111765E+00 0.295235527991E+00
0.304039431264E+00 0.313078677880E+00 0.322356941004E+00 0.331877679291E+00 0.341644102622E+00
0.351659134795E+00 0.361925372969E+00 0.372445043698E+00 0.383219955360E+00 0.394251446830E+00
0.405540332228E+00 0.417086841608E+00 0.428890557474E+00 0.440950347037E+00 0.453264290164E+00
0.465829603023E+00 0.478642557491E+00 0.491698396446E+00 0.504991245181E+00 0.518514019247E+00
0.532258329181E+00 0.546214382699E+00 0.560370885106E+00 0.574714938854E+00 0.589231943403E+00
0.603905496772E+00 0.618717300433E+00 0.633647069500E+00 0.648672450501E+00 0.663768949338E+00
0.678909872439E+00 0.694066284487E+00 0.709206986479E+00 0.724298518283E+00 0.739305190214E+00
0.754189148450E+00 0.768910479380E+00 0.783427358095E+00 0.797696246219E+00 0.811672144064E+00
0.825308901556E+00 0.838559591593E+00 0.851376948150E+00 0.863713869646E+00 0.875523985597E+00
0.886762281306E+00 0.897385771145E+00 0.907354205780E+00 0.916630792245E+00 0.925182898117E+00
0.932982701978E+00 0.940007741963E+00 0.946241302505E+00 0.951672566592E+00 0.956296447395E+00
0.960112999468E+00 0.963126296910E+00 0.965342654966E+00 0.966768064320E+00 0.967404705877E+00
0.967246420825E+00 0.966273029454E+00 0.964433274187E+00 0.961700484870E+00 0.958043687182E+00
0.953448253882E+00 0.947902101021E+00 0.941395881254E+00 0.933923173003E+00 0.925480666844E+00
0.916068344042E+00 0.905689647106E+00 0.894351638945E+00
ae wavefunction
0.581013143449E-04 0.599167371659E-04 0.617888830471E-04 0.637195242216E-04 0.657104882907E-04
0.677636599495E-04 0.698809827764E-04 0.720644610598E-04 0.743161617065E-04 0.766382161862E-04
0.790328225642E-04 0.815022475620E-04 0.840488287137E-04 0.866749765768E-04 0.893831770074E-04
0.921759935143E-04 0.950560696908E-04 0.980261317024E-04 0.101088990872E-03 0.104247546347E-03
0.107504787832E-03 0.110863798413E-03 0.114327757490E-03 0.117899943761E-03 0.121583738344E-03
0.125382627964E-03 0.129300208258E-03 0.133340187159E-03 0.137506388430E-03 0.141802755229E-03
0.146233353933E-03 0.150802377851E-03 0.155514151317E-03 0.160373133683E-03 0.165383923581E-03
0.170551263291E-03 0.175880043150E-03 0.181375306262E-03 0.187042253193E-03 0.192886246927E-03
0.198912817940E-03 0.205127669385E-03 0.211536682530E-03 0.218145922283E-03 0.224961642924E-03
0.231990294059E-03 0.239238526646E-03 0.246713199325E-03 0.254421384879E-03 0.262370376936E-03
0.270567696823E-03 0.279021100692E-03 0.287738586859E-03 0.296728403326E-03 0.305999055594E-03
0.315559314673E-03 0.325418225387E-03 0.335585114891E-03 0.346069601487E-03 0.356881603708E-03
0.368031349657E-03 0.379529386682E-03 0.391386591315E-03 0.403614179537E-03 0.416223717368E-03
0.429227131760E-03 0.442636721876E-03 0.456465170605E-03 0.470725556669E-03 0.485431366819E-03
0.500596508616E-03 0.516235323526E-03 0.532362600390E-03 0.548993589469E-03 0.566144016696E-03
0.583830098569E-03 0.602068557377E-03 0.620876636957E-03 0.640272118991E-03 0.660273339634E-03
0.680899206869E-03 0.702169218257E-03 0.724103479274E-03 0.746722722256E-03 0.770048325886E-03
0.794102335271E-03 0.818907482703E-03 0.844487209013E-03 0.870865685584E-03 0.898067837081E-03
0.926119364831E-03 0.955046771002E-03 0.984877383438E-03 0.101563938133E-02 0.104736182165E-02
0.108007466639E-02 0.111380881070E-02 0.114859611181E-02 0.118446941889E-02 0.122146260383E-02
0.125961059297E-02 0.129894939981E-02 0.133951615865E-02 0.138134915941E-02 0.142448788339E-02
0.146897304021E-02 0.151484660577E-02 0.156215186156E-02 0.161093343507E-02 0.166123734132E-02
0.171311102592E-02 0.176660340918E-02 0.182176493184E-02 0.187864760193E-02 0.193730504326E-02
0.199779254529E-02 0.206016711458E-02 0.212448752770E-02 0.219081438592E-02 0.225921017140E-02
0.232973930523E-02 0.240246820706E-02 0.247746535673E-02 0.255480135765E-02 0.263454900211E-02
0.271678333861E-02 0.280158174119E-02 0.288902398086E-02 0.297919229917E-02 0.307217148403E-02
0.316804894779E-02 0.326691480767E-02 0.336886196859E-02 0.347398620851E-02 0.358238626627E-02
0.369416393215E-02 0.380942414102E-02 0.392827506835E-02 0.405082822902E-02 0.417719857913E-02
0.430750462074E-02 0.444186850982E-02 0.458041616720E-02 0.472327739308E-02 0.487058598463E-02
0.502247985724E-02 0.517910116915E-02 0.534059644991E-02 0.550711673245E-02 0.567881768901E-02
0.585585977118E-02 0.603840835367E-02 0.622663388261E-02 0.642071202781E-02 0.662082383960E-02
0.682715591007E-02 0.703990053892E-02 0.725925590407E-02 0.748542623707E-02 0.771862200347E-02
0.795906008839E-02 0.820696398706E-02 0.846256400093E-02 0.872609743914E-02 0.899780882560E-02
0.927795011168E-02 0.956678089500E-02 0.986456864395E-02 0.101715889285E-01 0.104881256572E-01
0.108144713206E-01 0.111509272409E-01 0.114978038291E-01 0.118554208479E-01 0.122241076822E-01
0.126042036164E-01 0.129960581193E-01 0.134000311356E-01 0.138164933858E-01 0.142458266728E-01
0.146884241969E-01 0.151446908786E-01 0.156150436887E-01 0.160999119876E-01 0.165997378717E-01
0.171149765292E-01 0.176460966034E-01 0.181935805649E-01 0.187579250929E-01 0.193396414644E-01
0.199392559524E-01 0.205573102336E-01 0.211943618041E-01 0.218509844046E-01 0.225277684540E-01
0.232253214936E-01 0.239442686372E-01 0.246852530338E-01 0.254489363364E-01 0.262359991824E-01
0.270471416785E-01 0.278830838993E-01 0.287445663912E-01 0.296323506855E-01 0.305472198214E-01
0.314899788745E-01 0.324614554933E-01 0.334625004450E-01 0.344939881698E-01 0.355568173317E-01
0.366519113986E-01 0.377802191940E-01 0.389427154917E-01 0.401404015838E-01 0.413743058773E-01
0.426454844691E-01 0.439550217526E-01 0.453040309991E-01 0.466936549603E-01 0.481250664644E-01
0.495994689941E-01 0.511180972926E-01 0.526822179489E-01 0.542931299699E-01 0.559521653734E-01
0.576606897241E-01 0.594201027368E-01 0.612318387654E-01 0.630973673905E-01 0.650181938885E-01
0.669958597653E-01 0.690319431776E-01 0.711280594635E-01 0.732858614799E-01 0.755070400653E-01
0.777933243748E-01 0.801464821699E-01 0.825683201490E-01 0.850606842124E-01 0.876254595424E-01
0.902645708336E-01 0.929799823656E-01 0.957736979628E-01 0.986477609665E-01 0.101604254134E+00
0.104645299328E+00 0.107773057354E+00 0.110989727457E+00 0.114297546877E+00 0.117698790200E+00
0.121195768643E+00 0.124790829246E+00 0.128486353803E+00 0.132284757798E+00 0.136188489067E+00
0.140200026383E+00 0.144321877735E+00 0.148556578675E+00 0.152906690045E+00 0.157374796055E+00
0.161963501408E+00 0.166675429109E+00 0.171513216966E+00 0.176479514850E+00 0.181576980773E+00
0.186808277349E+00 0.192176067521E+00 0.197683010140E+00 0.203331755211E+00 0.209124938444E+00
0.215065176077E+00 0.221155058470E+00 0.227397144013E+00 0.233793951962E+00 0.240347955506E+00
0.247061573443E+00 0.253937162213E+00 0.260977006986E+00 0.268183312042E+00 0.275558191029E+00
0.283103656298E+00 0.290821607553E+00 0.298713820386E+00 0.306781933498E+00 0.315027435637E+00
0.323451651936E+00 0.332055729185E+00 0.340840620821E+00 0.349807070743E+00 0.358955596902E+00
0.368286473661E+00 0.377799713787E+00 0.387495049476E+00 0.397371912762E+00 0.407429415080E+00
0.417666326327E+00 0.428081052860E+00 0.438671615195E+00 0.449435624879E+00 0.460370260569E+00
0.471472243884E+00 0.482737814816E+00 0.494162705515E+00 0.505742115924E+00 0.517470686530E+00
0.529342473001E+00 0.541350918903E+00 0.553488830424E+00 0.565748349051E+00 0.578120925768E+00
0.590597296001E+00 0.603167452957E+00 0.615820624933E+00 0.628545250357E+00 0.641328956406E+00
0.654158536652E+00 0.667019933024E+00 0.679898216491E+00 0.692777572575E+00 0.705641287323E+00
0.718471736808E+00 0.731250379454E+00 0.743957750865E+00 0.756573463830E+00 0.769076210373E+00
0.781443768947E+00 0.793653016795E+00 0.805679945611E+00 0.817499683877E+00 0.829086524254E+00
0.840413957026E+00 0.851454708954E+00 0.862180790299E+00 0.872563546945E+00 0.882573721409E+00
0.892181519094E+00 0.901356683888E+00 0.910068580871E+00 0.918286286730E+00 0.925978688500E+00
0.933114590020E+00 0.939662826945E+00 0.945592389127E+00 0.950872551925E+00 0.955473014163E+00
0.959364044237E+00 0.962516633930E+00 0.964902658425E+00 0.966495042899E+00 0.967267935838E+00
0.967196886985E+00 0.966259031101E+00 0.964433274187E+00 0.961700484870E+00 0.958043687182E+00
0.953448253882E+00 0.947902101021E+00 0.941395881254E+00 0.933923173003E+00 0.925480666844E+00
0.916068344042E+00 0.905689647106E+00 0.894351638945E+00
pseudo wavefunction
0.751002279840E-04 0.774469220727E-04 0.798669444758E-04 0.823625865196E-04 0.849362111285E-04
0.875902550623E-04 0.903272312236E-04 0.931497310368E-04 0.960604269020E-04 0.990620747247E-04
0.102157516526E-03 0.105349683133E-03 0.108641596953E-03 0.112036374837E-03 0.115537231030E-03
0.119147480213E-03 0.122870540642E-03 0.126709937387E-03 0.130669305667E-03 0.134752394291E-03
0.138963069210E-03 0.143305317176E-03 0.147783249518E-03 0.152401106033E-03 0.157163258999E-03
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0.189029013705E-03 0.194935697061E-03 0.201026949478E-03 0.207308538278E-03 0.213786410996E-03
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0.257132835234E-03 0.265167592437E-03 0.273453415676E-03 0.281998150135E-03 0.290809886141E-03
0.299896966822E-03 0.309267996009E-03 0.318931846380E-03 0.328897667862E-03 0.339174896296E-03
0.349773262367E-03 0.360702800820E-03 0.371973859962E-03 0.383597111455E-03 0.395583560427E-03
0.407944555887E-03 0.420691801471E-03 0.433837366526E-03 0.447393697535E-03 0.461373629900E-03
0.475790400100E-03 0.490657658218E-03 0.505989480868E-03 0.521800384524E-03 0.538105339260E-03
0.554919782928E-03 0.572259635776E-03 0.590141315516E-03 0.608581752872E-03 0.627598407611E-03
0.647209285072E-03 0.667432953216E-03 0.688288560204E-03 0.709795852528E-03 0.731975193707E-03
0.754847583568E-03 0.778434678127E-03 0.802758810097E-03 0.827843010027E-03 0.853711028113E-03
0.880387356683E-03 0.907897253384E-03 0.936266765101E-03 0.965522752614E-03 0.995692916031E-03
0.102680582102E-02 0.105889092584E-02 0.109197860925E-02 0.112610019927E-02 0.116128800282E-02
0.119757533634E-02 0.123499655731E-02 0.127358709678E-02 0.131338349295E-02 0.135442342572E-02
0.139674575237E-02 0.144039054439E-02 0.148539912538E-02 0.153181411017E-02 0.157967944521E-02
0.162904045013E-02 0.167994386068E-02 0.173243787297E-02 0.178657218908E-02 0.184239806415E-02
0.189996835488E-02 0.195933756958E-02 0.202056191980E-02 0.208369937350E-02 0.214880970997E-02
0.221595457643E-02 0.228519754635E-02 0.235660417968E-02 0.243024208490E-02 0.250618098303E-02
0.258449277364E-02 0.266525160291E-02 0.274853393383E-02 0.283441861857E-02 0.292298697317E-02
0.301432285448E-02 0.310851273955E-02 0.320564580753E-02 0.330581402403E-02 0.340911222824E-02
0.351563822268E-02 0.362549286577E-02 0.373878016732E-02 0.385560738699E-02 0.397608513580E-02
0.410032748085E-02 0.422845205327E-02 0.436058015957E-02 0.449683689648E-02 0.463735126931E-02
0.478225631408E-02 0.493168922342E-02 0.508579147641E-02 0.524470897250E-02 0.540859216955E-02
0.557759622622E-02 0.575188114883E-02 0.593161194273E-02 0.611695876847E-02 0.630809710279E-02
0.650520790464E-02 0.670847778642E-02 0.691809919048E-02 0.713427057126E-02 0.735719658295E-02
0.758708827309E-02 0.782416328225E-02 0.806864604981E-02 0.832076802627E-02 0.858076789211E-02
0.884889178350E-02 0.912539352502E-02 0.941053486964E-02 0.970458574621E-02 0.100078245146E-01
0.103205382286E-01 0.106430229078E-01 0.109755838165E-01 0.113185357528E-01 0.116722033456E-01
0.120369213616E-01 0.124130350211E-01 0.128009003242E-01 0.132008843868E-01 0.136133657874E-01
0.140387349240E-01 0.144773943829E-01 0.149297593181E-01 0.153962578431E-01 0.158773314347E-01
0.163734353489E-01 0.168850390499E-01 0.174126266528E-01 0.179566973792E-01 0.185177660276E-01
0.190963634574E-01 0.196930370889E-01 0.203083514178E-01 0.209428885461E-01 0.215972487287E-01
0.222720509377E-01 0.229679334428E-01 0.236855544106E-01 0.244255925217E-01 0.251887476061E-01
0.259757412995E-01 0.267873177176E-01 0.276242441526E-01 0.284873117896E-01 0.293773364458E-01
0.302951593306E-01 0.312416478303E-01 0.322176963148E-01 0.332242269695E-01 0.342621906517E-01
0.353325677728E-01 0.364363692060E-01 0.375746372220E-01 0.387484464515E-01 0.399589048760E-01
0.412071548482E-01 0.424943741416E-01 0.438217770308E-01 0.451906154027E-01 0.466021799005E-01
0.480578010988E-01 0.495588507139E-01 0.511067428465E-01 0.527029352602E-01 0.543489306952E-01
0.560462782185E-01 0.577965746098E-01 0.596014657865E-01 0.614626482651E-01 0.633818706629E-01
0.653609352370E-01 0.674016994648E-01 0.695060776627E-01 0.716760426471E-01 0.739136274343E-01
0.762209269825E-01 0.786000999743E-01 0.810533706401E-01 0.835830306224E-01 0.861914408808E-01
0.888810336368E-01 0.916543143582E-01 0.945138637823E-01 0.974623399766E-01 0.100502480436E+00
0.103637104214E+00 0.106869114090E+00 0.110201498761E+00 0.113637335069E+00 0.117179790247E+00
0.120832124194E+00 0.124597691759E+00 0.128479945046E+00 0.132482435721E+00 0.136608817329E+00
0.140862847598E+00 0.145248390737E+00 0.149769419713E+00 0.154430018495E+00 0.159234384268E+00
0.164186829582E+00 0.169291784445E+00 0.174553798341E+00 0.179977542142E+00 0.185567809913E+00
0.191329520589E+00 0.197267719491E+00 0.203387579665E+00 0.209694403017E+00 0.216193621216E+00
0.222890796323E+00 0.229791621126E+00 0.236901919126E+00 0.244227644144E+00 0.251774879488E+00
0.259549836648E+00 0.267558853436E+00 0.275808391535E+00 0.284305033365E+00 0.293055478216E+00
0.302066537544E+00 0.311345129353E+00 0.320898271570E+00 0.330733074297E+00 0.340856730834E+00
0.351276507342E+00 0.361999731024E+00 0.373033776658E+00 0.384386051345E+00 0.396063977286E+00
0.408074972409E+00 0.420426428650E+00 0.433125687674E+00 0.446180013796E+00 0.459596563876E+00
0.473382353906E+00 0.487544222024E+00 0.502088787645E+00 0.517022406403E+00 0.532351120562E+00
0.548080604554E+00 0.564216105259E+00 0.580762376663E+00 0.597723608473E+00 0.615103348293E+00
0.632904416927E+00 0.651128816381E+00 0.669777630136E+00 0.688850915254E+00 0.708347585907E+00
0.728265287917E+00 0.748600263931E+00 0.769347208906E+00 0.790499115597E+00 0.812047109854E+00
0.833980275581E+00 0.856285469339E+00 0.878947124699E+00 0.901947046622E+00 0.925264196314E+00
0.948874467257E+00 0.972750453348E+00 0.996861210430E+00 0.102117201281E+01 0.104564410679E+01
0.107023446371E+01 0.109489553541E+01 0.111957501580E+01 0.114421561257E+01 0.116875483398E+01
0.119312479622E+01 0.121725205764E+01 0.124105748696E+01 0.126445617314E+01 0.128735738551E+01
0.130966459320E+01 0.133127555356E+01 0.135208247936E+01 0.137197229487E+01 0.139082699014E+01
0.140852408242E+01 0.142493719179E+01 0.143993673606E+01 0.145339074673E+01 0.146516580336E+01
0.147512807827E+01 0.148314447612E+01 0.148908384397E+01 0.149281821698E+01 0.149422405190E+01
0.149318338614E+01 0.148958484370E+01 0.148332439172E+01 0.147430573249E+01 0.146244019801E+01
0.144764599698E+01 0.142984665161E+01 0.140896845461E+01 0.138493678002E+01 0.135767109845E+01
0.132707858311E+01 0.129304625414E+01 0.125543191107E+01 0.121408357465E+01 0.116888602410E+01
0.111973616312E+01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
ae wavefunction
0.106329947500E-03 0.109652313188E-03 0.113078486510E-03 0.116611710791E-03 0.120255330686E-03
0.124012795332E-03 0.127887661631E-03 0.131883597587E-03 0.136004385802E-03 0.140253927030E-03
0.144636243903E-03 0.149155484700E-03 0.153815927290E-03 0.158621983181E-03 0.163578201685E-03
0.168689274223E-03 0.173960038778E-03 0.179395484445E-03 0.185000756165E-03 0.190781159604E-03
0.196742166158E-03 0.202889418110E-03 0.209228734014E-03 0.215766114143E-03 0.222507746208E-03
0.229460011185E-03 0.236629489376E-03 0.244022966583E-03 0.251647440593E-03 0.259510127694E-03
0.267618469674E-03 0.275980140614E-03 0.284603054385E-03 0.293495371948E-03 0.302665509160E-03
0.312122144766E-03 0.321874228460E-03 0.331930989520E-03 0.342301945386E-03 0.352996910739E-03
0.364026006781E-03 0.375399670728E-03 0.387128665760E-03 0.399224091134E-03 0.411697392668E-03
0.424560373645E-03 0.437825205839E-03 0.451504441095E-03 0.465611023160E-03 0.480158299943E-03
0.495160036056E-03 0.510630425867E-03 0.526584106915E-03 0.543036173691E-03 0.560002191923E-03
0.577498213244E-03 0.595540790388E-03 0.614146992779E-03 0.633334422655E-03 0.653121231710E-03
0.673526138165E-03 0.694568444495E-03 0.716268055597E-03 0.738645497594E-03 0.761721937202E-03
0.785519201673E-03 0.810059799435E-03 0.835366941162E-03 0.861464561933E-03 0.888377343555E-03
0.916130737944E-03 0.944750991103E-03 0.974265167758E-03 0.100470117708E-02 0.103608779874E-02
0.106845471019E-02 0.110183251453E-02 0.113625276931E-02 0.117174801640E-02 0.120835181238E-02
0.124609876033E-02 0.128502454229E-02 0.132516595285E-02 0.136656093379E-02 0.140924860975E-02
0.145326932500E-02 0.149866468137E-02 0.154547757740E-02 0.159375224860E-02 0.164353430903E-02
0.169487079409E-02 0.174781020479E-02 0.180240255321E-02 0.185869940942E-02 0.191675394991E-02
0.197662100745E-02 0.203835712251E-02 0.210202059627E-02 0.216767154524E-02 0.223537195755E-02
0.230518575110E-02 0.237717883329E-02 0.245141916276E-02 0.252797681294E-02 0.260692403765E-02
0.268833533852E-02 0.277228753467E-02 0.285885983447E-02 0.294813390958E-02 0.304019397094E-02
0.313512684756E-02 0.323302206731E-02 0.333397194044E-02 0.343807164552E-02 0.354541931811E-02
0.365611614200E-02 0.377026644333E-02 0.388797778758E-02 0.400936107948E-02 0.413453066590E-02
0.426360444206E-02 0.439670396072E-02 0.453395454487E-02 0.467548540375E-02 0.482142975239E-02
0.497192493481E-02 0.512711255086E-02 0.528713858700E-02 0.545215355089E-02 0.562231261015E-02
0.579777573527E-02 0.597870784672E-02 0.616527896665E-02 0.635766437489E-02 0.655604476990E-02
0.676060643429E-02 0.697154140542E-02 0.718904765102E-02 0.741332925006E-02 0.764459657897E-02
0.788306650339E-02 0.812896257563E-02 0.838251523781E-02 0.864396203124E-02 0.891354781178E-02
0.919152497151E-02 0.947815366701E-02 0.977370205421E-02 0.100784465302E-01 0.103926719819E-01
0.107166720421E-01 0.110507493531E-01 0.113952158372E-01 0.117503929761E-01 0.121166120974E-01
0.124942146696E-01 0.128835526058E-01 0.132849885758E-01 0.136988963267E-01 0.141256610131E-01
0.145656795368E-01 0.150193608951E-01 0.154871265395E-01 0.159694107445E-01 0.164666609863E-01
0.169793383318E-01 0.175079178389E-01 0.180528889670E-01 0.186147559995E-01 0.191940384769E-01
0.197912716418E-01 0.204070068966E-01 0.210418122722E-01 0.216962729098E-01 0.223709915551E-01
0.230665890657E-01 0.237837049314E-01 0.245229978077E-01 0.252851460634E-01 0.260708483418E-01
0.268808241360E-01 0.277158143787E-01 0.285765820459E-01 0.294639127764E-01 0.303786155052E-01
0.313215231129E-01 0.322934930901E-01 0.332954082164E-01 0.343281772570E-01 0.353927356733E-01
0.364900463502E-01 0.376211003396E-01 0.387869176192E-01 0.399885478684E-01 0.412270712593E-01
0.425035992665E-01 0.438192754875E-01 0.451752764868E-01 0.465728126490E-01 0.480131290551E-01
0.494975063637E-01 0.510272617206E-01 0.526037496734E-01 0.542283631063E-01 0.559025341896E-01
0.576277353405E-01 0.594054801961E-01 0.612373246050E-01 0.631248676312E-01 0.650697525521E-01
0.670736679094E-01 0.691383485053E-01 0.712655764789E-01 0.734571823289E-01 0.757150459909E-01
0.780410978707E-01 0.804373199360E-01 0.829057467582E-01 0.854484665921E-01 0.880676224407E-01
0.907654130862E-01 0.935440941668E-01 0.964059792156E-01 0.993534406698E-01 0.102388910916E+00
0.105514883229E+00 0.108733912823E+00 0.112048617698E+00 0.115461679656E+00 0.118975845096E+00
0.122593925921E+00 0.126318800236E+00 0.130153413230E+00 0.134100777712E+00 0.138163974850E+00
0.142346154683E+00 0.146650536527E+00 0.151080409452E+00 0.155639132627E+00 0.160330135323E+00
0.165156917123E+00 0.170123047900E+00 0.175232167565E+00 0.180487985756E+00 0.185894281437E+00
0.191454902021E+00 0.197173762826E+00 0.203054845825E+00 0.209102198465E+00 0.215319932166E+00
0.221712220537E+00 0.228283297465E+00 0.235037454673E+00 0.241979039227E+00 0.249112450514E+00
0.256442136998E+00 0.263972592385E+00 0.271708351825E+00 0.279653986935E+00 0.287814101360E+00
0.296193324533E+00 0.304796306584E+00 0.313627710758E+00 0.322692207130E+00 0.331994464016E+00
0.341539139991E+00 0.351330874403E+00 0.361374277475E+00 0.371673919653E+00 0.382234319480E+00
0.393059931809E+00 0.404155133537E+00 0.415524209705E+00 0.427171337395E+00 0.439100569784E+00
0.451315817376E+00 0.463820829574E+00 0.476619174200E+00 0.489714215357E+00 0.503109090678E+00
0.516806686480E+00 0.530809611196E+00 0.545120168129E+00 0.559740325255E+00 0.574671683966E+00
0.589915446086E+00 0.605472378290E+00 0.621342775296E+00 0.637526420157E+00 0.654022543319E+00
0.670829778555E+00 0.687946117289E+00 0.705368860153E+00 0.723094566336E+00 0.741119000235E+00
0.759437075969E+00 0.778042798638E+00 0.796929203636E+00 0.816088292970E+00 0.835510968560E+00
0.855186963442E+00 0.875104770396E+00 0.895251565733E+00 0.915613134465E+00 0.936173788144E+00
0.956916283932E+00 0.977821737871E+00 0.998869539391E+00 0.102003725958E+01 0.104130055961E+01
0.106263309773E+01 0.108400643066E+01 0.110538991914E+01 0.112675062646E+01 0.114805322047E+01
0.116925987066E+01 0.119033014998E+01 0.121122093124E+01 0.123188628907E+01 0.125227739974E+01
0.127234244432E+01 0.129202651415E+01 0.131127151808E+01 0.133001609671E+01 0.134819553807E+01
0.136574170088E+01 0.138258294566E+01 0.139864407108E+01 0.141384626207E+01 0.142810704760E+01
0.144134027076E+01 0.145345607108E+01 0.146436088503E+01 0.147395746070E+01 0.148214489478E+01
0.148881868737E+01 0.149387082350E+01 0.149718987981E+01 0.149866115989E+01 0.149816686218E+01
0.149558628224E+01 0.149079605449E+01 0.148367043500E+01 0.147408163206E+01 0.146190018542E+01
0.144699540142E+01 0.142923584870E+01 0.140848991784E+01 0.138462645170E+01 0.135751545337E+01
0.132702887546E+01 0.129304149987E+01 0.125543191107E+01 0.121408357465E+01 0.116888602410E+01
0.111973616312E+01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
pseudo wavefunction
0.118327813132E-08 0.125838244909E-08 0.133825374294E-08 0.142319457951E-08 0.151352672977E-08
0.160959238792E-08 0.171175546774E-08 0.182040298110E-08 0.193594650407E-08 0.205882373603E-08
0.218950015773E-08 0.232847079466E-08 0.247626209225E-08 0.263343391018E-08 0.280058164318E-08
0.297833847653E-08 0.316737778468E-08 0.336841568206E-08 0.358221373592E-08 0.380958185123E-08
0.405138133876E-08 0.430852817789E-08 0.458199648649E-08 0.487282221103E-08 0.518210705099E-08
0.551102263223E-08 0.586081494534E-08 0.623280906568E-08 0.662841417300E-08 0.704912888965E-08
0.749654695765E-08 0.797236327603E-08 0.847838032146E-08 0.901651497629E-08 0.958880579009E-08
0.101974207020E-07 0.108446652534E-07 0.115329913214E-07 0.122650064073E-07 0.130434835141E-07
0.138713716514E-07 0.147518070061E-07 0.156881248237E-07 0.166838720422E-07 0.177428207287E-07
0.188689823687E-07 0.200666230623E-07 0.213402796849E-07 0.226947770737E-07 0.241352463052E-07
0.256671441322E-07 0.272962736555E-07 0.290288063066E-07 0.308713052266E-07 0.328307501280E-07
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End of Dataset