mirror of https://gitlab.com/QEF/q-e.git
1134 lines
82 KiB
Plaintext
1134 lines
82 KiB
Plaintext
<PP_INFO>
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Generated using unknown code
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Author: unknown Generation date: as well
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Info: automatically converted from CPMD format
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0 The Pseudo was generated with a Non-Relativistic Calculation
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0.00000000000E+00 Local Potential cutoff radius
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nl pn l occ Rcut Rcut US E pseu
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2S 0 0 2.00 0.00000000000 0.00000000000 0.00000000000
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2P 0 1 3.00 0.00000000000 0.00000000000 0.00000000000
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</PP_INFO>
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<PP_HEADER>
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0 Version Number
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N Element
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NC Norm - Conserving pseudopotential
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F Nonlinear Core Correction
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BLYP Exchange-Correlation functional
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5.00000000000 Z valence
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0.00000000000 Total energy
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0.0000000 0.0000000 Suggested cutoff for wfc and rho
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1 Max angular momentum component
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624 Number of points in mesh
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2 1 Number of Wavefunctions, Number of Projectors
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Wavefunctions nl l occ
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2S 0 2.00
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2P 1 3.00
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</PP_HEADER>
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<PP_MESH>
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<PP_R>
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8.92857140000E-04 9.08482140000E-04 9.24380580000E-04 9.40557240000E-04
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9.57016990000E-04 9.73764790000E-04 9.90805670000E-04 1.00814480000E-03
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1.02578730000E-03 1.04373860000E-03 1.06200400000E-03 1.08058910000E-03
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1.09949940000E-03 1.11874060000E-03 1.13831860000E-03 1.15823920000E-03
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1.17850830000E-03 1.19913220000E-03 1.22011710000E-03 1.24146910000E-03
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1.26319480000E-03 1.28530070000E-03 1.30779350000E-03 1.33067990000E-03
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1.35396680000E-03 1.37766120000E-03 1.40177030000E-03 1.42630120000E-03
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1.45126150000E-03 1.47665860000E-03 1.50250010000E-03 1.52879390000E-03
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1.55554780000E-03 1.58276980000E-03 1.61046830000E-03 1.63865150000E-03
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1.66732790000E-03 1.69650620000E-03 1.72619500000E-03 1.75640340000E-03
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</PP_R>
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<PP_RAB>
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</PP_LOCAL>
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<PP_NONLOCAL>
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<PP_BETA>
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1 0 Beta L
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|
1.39871740669E-01 1.42321435000E-01 1.44814090855E-01 1.47350479683E-01
|
|
1.49931368832E-01 1.52557543884E-01 1.55229802774E-01 1.57948959555E-01
|
|
1.60715835434E-01 1.63531274078E-01 1.66396144788E-01 1.69311321828E-01
|
|
1.72277668183E-01 1.75296109104E-01 1.78367562164E-01 1.81492972931E-01
|
|
1.84673280287E-01 1.87909453346E-01 1.91202507129E-01 1.94553424770E-01
|
|
1.97963231930E-01 2.01432992425E-01 2.04963751714E-01 2.08556598241E-01
|
|
2.12212632616E-01 2.15932965979E-01 2.19718765545E-01 2.23571166816E-01
|
|
2.27491378805E-01 2.31480573848E-01 2.35540021994E-01 2.39670961884E-01
|
|
2.43874633199E-01 2.48152384110E-01 2.52505494651E-01 2.56935337650E-01
|
|
2.61443260103E-01 2.66030663618E-01 2.70698991480E-01 2.75449655855E-01
|
|
2.80284175709E-01 2.85204003017E-01 2.90210675121E-01 2.95305807646E-01
|
|
3.00490893241E-01 3.05767621285E-01 3.11137613616E-01 3.16602560741E-01
|
|
3.22164159520E-01 3.27824128359E-01 3.33584284442E-01 3.39446402439E-01
|
|
3.45412378929E-01 3.51484014429E-01 3.57663248113E-01 3.63952010112E-01
|
|
3.70352348512E-01 3.76866210156E-01 3.83495692112E-01 3.90242895592E-01
|
|
3.97109938419E-01 4.04099021549E-01 4.11212334915E-01 4.18452145437E-01
|
|
4.25820804436E-01 4.33320623229E-01 4.40953976122E-01 4.48723334232E-01
|
|
4.56631138913E-01 4.64679989747E-01 4.72872405392E-01 4.81211039273E-01
|
|
4.89698541426E-01 4.98337680631E-01 5.07131166827E-01 5.16081900401E-01
|
|
5.25192693735E-01 5.34466568971E-01 5.43906427162E-01 5.53515353409E-01
|
|
5.63296383522E-01 5.73252742348E-01 5.83387627412E-01 5.93704246663E-01
|
|
6.04205952343E-01 6.14896099753E-01 6.25778146146E-01 6.36855584855E-01
|
|
6.48131924337E-01 6.59610764632E-01 6.71295838527E-01 6.83190760544E-01
|
|
6.95299399305E-01 7.07625456061E-01 7.20172920935E-01 7.32945661196E-01
|
|
7.45947650241E-01 7.59182891019E-01 7.72655512014E-01 7.86369603215E-01
|
|
8.00329254198E-01 8.14538750182E-01 8.29002188490E-01 8.43723867059E-01
|
|
8.58708064868E-01 8.73959018467E-01 8.89480979771E-01 9.05278286612E-01
|
|
9.21355187187E-01 9.37715912815E-01 9.54364748721E-01 9.71305759066E-01
|
|
9.88543104595E-01 1.00608089978E+00 1.02392304158E+00 1.04207333168E+00
|
|
1.06053556979E+00 1.07931332923E+00 1.09841002626E+00 1.11782881441E+00
|
|
1.13757280307E+00 1.15764451695E+00 1.17804647723E+00 1.19878085462E+00
|
|
1.21984924159E+00 1.24125304830E+00 1.26299291287E+00 1.28506932871E+00
|
|
1.30748187690E+00 1.33022972884E+00 1.35331101767E+00 1.37672357181E+00
|
|
1.40046380805E+00 1.42452750374E+00 1.44890938329E+00 1.47360274148E+00
|
|
1.49859998081E+00 1.52389160775E+00 1.54946701013E+00 1.57531375526E+00
|
|
1.60141752656E+00 1.62776198977E+00 1.65432890469E+00 1.68109740117E+00
|
|
1.70804413915E+00 1.73514298485E+00 1.76236480769E+00 1.78967727760E+00
|
|
1.81704468708E+00 1.84442743560E+00 1.87178191077E+00 1.89906009400E+00
|
|
1.92620944726E+00 1.95317246389E+00 1.97988616301E+00 2.00628198474E+00
|
|
2.03228546207E+00 2.05781580209E+00 2.08278514772E+00 2.10709885942E+00
|
|
2.13065474263E+00 2.15334262609E+00 2.17504422895E+00 2.19563292646E+00
|
|
2.21497320176E+00 2.23292057101E+00 2.24932105938E+00 2.26401191035E+00
|
|
2.27682024113E+00 2.28756437428E+00 2.29605324927E+00 2.30208699200E+00
|
|
2.30545668371E+00 2.30594680169E+00 2.30333394076E+00 2.29738919127E+00
|
|
2.28787926930E+00 2.27456826645E+00 2.25721895795E+00 2.23559738585E+00
|
|
2.20947261779E+00 2.17862291448E+00 2.14283816770E+00 2.10192393510E+00
|
|
2.05570738199E+00 2.00404190437E+00 1.94681350757E+00 1.88394654715E+00
|
|
1.81541159142E+00 1.74123292379E+00 1.66149429851E+00 1.57634890539E+00
|
|
1.48602579789E+00 1.39083778807E+00 1.29118845064E+00 1.18757821227E+00
|
|
1.08060883875E+00 9.70987196200E-01 8.59525956295E-01 7.47141924824E-01
|
|
6.34851441484E-01 5.23761755820E-01 4.15058147535E-01 3.09986459321E-01
|
|
2.09830827495E-01 1.15885218502E-01 2.94207985140E-02 -4.83526909023E-02
|
|
-1.16330048023E-01 -1.73557411835E-01 -2.19281622150E-01 -2.53001013226E-01
|
|
-2.74514627887E-01 -2.83967822554E-01 -2.81890888237E-01 -2.69227029773E-01
|
|
-2.47344844829E-01 -2.18030588080E-01 -1.83453354921E-01 -1.46096740691E-01
|
|
-1.08646765031E-01 -7.38266625862E-02 -4.41638737652E-02 -2.16740162208E-02
|
|
-7.44173143695E-03 -1.07420137618E-03 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
</PP_BETA>
|
|
<PP_DIJ>
|
|
1 Number of nonzero Dij
|
|
1 1 9.31199971024E+00
|
|
</PP_DIJ>
|
|
</PP_NONLOCAL>
|
|
|
|
|
|
<PP_PSWFC>
|
|
2S 0 2.00 Wavefunction
|
|
2.13763950000E-04 2.17504820000E-04 2.21311160000E-04 2.25184100000E-04
|
|
2.29124820000E-04 2.33134510000E-04 2.37214360000E-04 2.41365610000E-04
|
|
2.45589510000E-04 2.49887330000E-04 2.54260360000E-04 2.58709920000E-04
|
|
2.63237350000E-04 2.67844010000E-04 2.72531280000E-04 2.77300580000E-04
|
|
2.82153350000E-04 2.87091040000E-04 2.92115140000E-04 2.97227160000E-04
|
|
3.02428640000E-04 3.07721150000E-04 3.13106280000E-04 3.18585650000E-04
|
|
3.24160910000E-04 3.29833740000E-04 3.35605840000E-04 3.41478960000E-04
|
|
3.47454860000E-04 3.53535330000E-04 3.59722220000E-04 3.66017370000E-04
|
|
3.72422700000E-04 3.78940120000E-04 3.85571590000E-04 3.92319120000E-04
|
|
3.99184730000E-04 4.06170490000E-04 4.13278500000E-04 4.20510900000E-04
|
|
4.27869880000E-04 4.35357640000E-04 4.42976430000E-04 4.50728560000E-04
|
|
4.58616350000E-04 4.66642180000E-04 4.74808470000E-04 4.83117660000E-04
|
|
4.91572270000E-04 5.00174850000E-04 5.08927960000E-04 5.17834270000E-04
|
|
5.26896430000E-04 5.36117190000E-04 5.45499310000E-04 5.55045630000E-04
|
|
5.64759010000E-04 5.74642380000E-04 5.84698720000E-04 5.94931040000E-04
|
|
6.05342440000E-04 6.15936040000E-04 6.26715040000E-04 6.37682670000E-04
|
|
6.48842250000E-04 6.60197120000E-04 6.71750710000E-04 6.83506500000E-04
|
|
6.95468030000E-04 7.07638890000E-04 7.20022740000E-04 7.32623330000E-04
|
|
7.45444440000E-04 7.58489920000E-04 7.71763720000E-04 7.85269810000E-04
|
|
7.99012280000E-04 8.12995250000E-04 8.27222940000E-04 8.41699630000E-04
|
|
8.56429680000E-04 8.71417520000E-04 8.86667660000E-04 9.02184700000E-04
|
|
9.17973310000E-04 9.34038230000E-04 9.50384320000E-04 9.67016480000E-04
|
|
9.83939730000E-04 1.00115920000E-03 1.01868000000E-03 1.03650740000E-03
|
|
1.05464690000E-03 1.07310380000E-03 1.09188370000E-03 1.11099240000E-03
|
|
1.13043540000E-03 1.15021880000E-03 1.17034840000E-03 1.19083030000E-03
|
|
1.21167070000E-03 1.23287590000E-03 1.25445220000E-03 1.27640610000E-03
|
|
1.29874430000E-03 1.32147340000E-03 1.34460040000E-03 1.36813220000E-03
|
|
1.39207580000E-03 1.41643850000E-03 1.44122770000E-03 1.46645070000E-03
|
|
1.49211520000E-03 1.51822890000E-03 1.54479970000E-03 1.57183560000E-03
|
|
1.59934480000E-03 1.62733540000E-03 1.65581600000E-03 1.68479510000E-03
|
|
1.71428150000E-03 1.74428410000E-03 1.77481180000E-03 1.80587390000E-03
|
|
1.83747970000E-03 1.86963880000E-03 1.90236090000E-03 1.93565570000E-03
|
|
1.96953350000E-03 2.00400420000E-03 2.03907850000E-03 2.07476670000E-03
|
|
2.11107980000E-03 2.14802850000E-03 2.18562420000E-03 2.22387800000E-03
|
|
2.26280150000E-03 2.30240650000E-03 2.34270500000E-03 2.38370900000E-03
|
|
2.42543090000E-03 2.46788330000E-03 2.51107900000E-03 2.55503110000E-03
|
|
2.59975280000E-03 2.64525750000E-03 2.69155910000E-03 2.73867150000E-03
|
|
2.78660890000E-03 2.83538570000E-03 2.88501680000E-03 2.93551700000E-03
|
|
2.98690160000E-03 3.03918620000E-03 3.09238650000E-03 3.14651850000E-03
|
|
3.20159870000E-03 3.25764370000E-03 3.31467030000E-03 3.37269590000E-03
|
|
3.43173800000E-03 3.49181430000E-03 3.55294310000E-03 3.61514280000E-03
|
|
3.67843220000E-03 3.74283050000E-03 3.80835720000E-03 3.87503200000E-03
|
|
3.94287520000E-03 4.01190720000E-03 4.08214900000E-03 4.15362180000E-03
|
|
4.22634730000E-03 4.30034740000E-03 4.37564470000E-03 4.45226180000E-03
|
|
4.53022200000E-03 4.60954900000E-03 4.69026680000E-03 4.77239980000E-03
|
|
4.85597310000E-03 4.94101180000E-03 5.02754190000E-03 5.11558970000E-03
|
|
5.20518170000E-03 5.29634540000E-03 5.38910830000E-03 5.48349860000E-03
|
|
5.57954510000E-03 5.67727700000E-03 5.77672400000E-03 5.87791640000E-03
|
|
5.98088490000E-03 6.08566100000E-03 6.19227670000E-03 6.30076430000E-03
|
|
6.41115700000E-03 6.52348850000E-03 6.63779310000E-03 6.75410570000E-03
|
|
6.87246180000E-03 6.99289770000E-03 7.11545010000E-03 7.24015670000E-03
|
|
7.36705560000E-03 7.49618570000E-03 7.62758670000E-03 7.76129880000E-03
|
|
7.89736310000E-03 8.03582140000E-03 8.17671640000E-03 8.32009130000E-03
|
|
8.46599040000E-03 8.61445870000E-03 8.76554180000E-03 8.91928660000E-03
|
|
9.07574050000E-03 9.23495200000E-03 9.39697030000E-03 9.56184560000E-03
|
|
9.72962910000E-03 9.90037300000E-03 1.00741300000E-02 1.02509550000E-02
|
|
1.04309030000E-02 1.06140290000E-02 1.08003910000E-02 1.09900480000E-02
|
|
1.11830580000E-02 1.13794820000E-02 1.15793830000E-02 1.17828220000E-02
|
|
1.19898650000E-02 1.22005750000E-02 1.24150210000E-02 1.26332690000E-02
|
|
1.28553900000E-02 1.30814530000E-02 1.33115310000E-02 1.35456960000E-02
|
|
1.37840250000E-02 1.40265920000E-02 1.42734770000E-02 1.45247580000E-02
|
|
1.47805160000E-02 1.50408350000E-02 1.53057970000E-02 1.55754900000E-02
|
|
1.58500010000E-02 1.61294200000E-02 1.64138380000E-02 1.67033490000E-02
|
|
1.69980470000E-02 1.72980300000E-02 1.76033980000E-02 1.79142520000E-02
|
|
1.82306950000E-02 1.85528330000E-02 1.88807750000E-02 1.92146300000E-02
|
|
1.95545120000E-02 1.99005370000E-02 2.02528210000E-02 2.06114850000E-02
|
|
2.09766530000E-02 2.13484500000E-02 2.17270060000E-02 2.21124520000E-02
|
|
2.25049230000E-02 2.29045560000E-02 2.33114940000E-02 2.37258800000E-02
|
|
2.41478620000E-02 2.45775920000E-02 2.50152240000E-02 2.54609180000E-02
|
|
2.59148370000E-02 2.63771450000E-02 2.68480160000E-02 2.73276230000E-02
|
|
2.78161470000E-02 2.83137700000E-02 2.88206830000E-02 2.93370780000E-02
|
|
2.98631540000E-02 3.03991160000E-02 3.09451720000E-02 3.15015370000E-02
|
|
3.20684330000E-02 3.26460860000E-02 3.32347290000E-02 3.38346010000E-02
|
|
3.44459490000E-02 3.50690250000E-02 3.57040900000E-02 3.63514120000E-02
|
|
3.70112660000E-02 3.76839360000E-02 3.83697130000E-02 3.90688980000E-02
|
|
3.97818010000E-02 4.05087400000E-02 4.12500450000E-02 4.20060530000E-02
|
|
4.27771150000E-02 4.35635900000E-02 4.43658490000E-02 4.51842760000E-02
|
|
4.60192660000E-02 4.68712270000E-02 4.77405800000E-02 4.86277600000E-02
|
|
4.95332170000E-02 5.04574130000E-02 5.14008280000E-02 5.23639570000E-02
|
|
5.33473120000E-02 5.43514210000E-02 5.53768300000E-02 5.64241040000E-02
|
|
5.74938280000E-02 5.85866030000E-02 5.97030550000E-02 6.08438270000E-02
|
|
6.20095870000E-02 6.32010220000E-02 6.44188460000E-02 6.56637930000E-02
|
|
6.69366230000E-02 6.82381220000E-02 6.95690990000E-02 7.09303920000E-02
|
|
7.23228630000E-02 7.37474020000E-02 7.52049270000E-02 7.66963820000E-02
|
|
7.82227390000E-02 7.97850000000E-02 8.13841910000E-02 8.30213670000E-02
|
|
8.46976080000E-02 8.64140220000E-02 8.81717390000E-02 8.99719140000E-02
|
|
9.18157210000E-02 9.37043550000E-02 9.56390260000E-02 9.76209560000E-02
|
|
9.96513780000E-02 1.01731530000E-01 1.03862640000E-01 1.06045940000E-01
|
|
1.08282640000E-01 1.10573940000E-01 1.12920980000E-01 1.15324890000E-01
|
|
1.17786710000E-01 1.20307450000E-01 1.22888010000E-01 1.25529190000E-01
|
|
1.28231680000E-01 1.30996010000E-01 1.33822570000E-01 1.36711550000E-01
|
|
1.39662920000E-01 1.42676400000E-01 1.45751450000E-01 1.48887180000E-01
|
|
1.52082400000E-01 1.55335490000E-01 1.58644410000E-01 1.62006660000E-01
|
|
1.65419220000E-01 1.68878520000E-01 1.72380370000E-01 1.75919970000E-01
|
|
1.79491810000E-01 1.83089680000E-01 1.86706620000E-01 1.90334920000E-01
|
|
1.93966050000E-01 1.97590720000E-01 2.01198860000E-01 2.04779620000E-01
|
|
2.08321460000E-01 2.11812150000E-01 2.15238910000E-01 2.18588460000E-01
|
|
2.21847180000E-01 2.25001230000E-01 2.28036740000E-01 2.30939990000E-01
|
|
2.33697620000E-01 2.36296880000E-01 2.38725790000E-01 2.40973450000E-01
|
|
2.43030210000E-01 2.44887880000E-01 2.46539880000E-01 2.47981420000E-01
|
|
2.49209480000E-01 2.50222860000E-01 2.51022070000E-01 2.51609130000E-01
|
|
2.51987350000E-01 2.52160910000E-01 2.52134470000E-01 2.51912720000E-01
|
|
2.51499910000E-01 2.50899560000E-01 2.50114350000E-01 2.49146420000E-01
|
|
2.47997960000E-01 2.46671530000E-01 2.45170020000E-01 2.43496600000E-01
|
|
2.41654760000E-01 2.39648290000E-01 2.37481240000E-01 2.35157970000E-01
|
|
2.32683070000E-01 2.30061420000E-01 2.27298110000E-01 2.24398450000E-01
|
|
2.21367990000E-01 2.18212450000E-01 2.14937740000E-01 2.11549940000E-01
|
|
2.08055280000E-01 2.04460110000E-01 2.00770900000E-01 1.96994240000E-01
|
|
1.93136780000E-01 1.89205240000E-01 1.85206400000E-01 1.81147060000E-01
|
|
1.77034040000E-01 1.72874160000E-01 1.68674220000E-01 1.64440990000E-01
|
|
1.60181170000E-01 1.55901420000E-01 1.51608300000E-01 1.47308280000E-01
|
|
1.43007710000E-01 1.38712820000E-01 1.34429700000E-01 1.30164280000E-01
|
|
1.25922350000E-01 1.21709480000E-01 1.17531090000E-01 1.13392370000E-01
|
|
1.09298340000E-01 1.05253760000E-01 1.01263190000E-01 9.73309450000E-02
|
|
9.34611120000E-02 8.96575240000E-02 8.59237660000E-02 8.22631690000E-02
|
|
7.86788070000E-02 7.51734950000E-02 7.17497910000E-02 6.84099870000E-02
|
|
6.51561210000E-02 6.19899710000E-02 5.89130580000E-02 5.59266520000E-02
|
|
5.30317760000E-02 5.02292080000E-02 4.75194890000E-02 4.49029300000E-02
|
|
4.23796160000E-02 3.99494150000E-02 3.76119880000E-02 3.53667960000E-02
|
|
3.32131090000E-02 3.11500150000E-02 2.91764310000E-02 2.72911130000E-02
|
|
2.54926640000E-02 2.37795480000E-02 2.21500970000E-02 2.06025220000E-02
|
|
1.91349250000E-02 1.77453050000E-02 1.64315730000E-02 1.51915590000E-02
|
|
1.40230220000E-02 1.29236560000E-02 1.18911050000E-02 1.09229680000E-02
|
|
1.00168090000E-02 9.17016370000E-03 8.38055040000E-03 7.64547690000E-03
|
|
6.96244950000E-03 6.32898120000E-03 5.74260040000E-03 5.20085850000E-03
|
|
4.70133890000E-03 4.24166460000E-03 3.81950560000E-03 3.43258680000E-03
|
|
3.07869390000E-03 2.75567950000E-03 2.46146880000E-03 2.19406340000E-03
|
|
1.95154490000E-03 1.73207800000E-03 1.53391210000E-03 1.35538240000E-03
|
|
1.19491080000E-03 1.05100570000E-03 9.22260950000E-04 8.07355440000E-04
|
|
7.05051160000E-04 6.14191460000E-04 5.33698880000E-04 4.62572650000E-04
|
|
3.99886010000E-04 3.44783270000E-04 2.96476780000E-04 2.54243660000E-04
|
|
2.17422600000E-04 1.85410380000E-04 1.57658600000E-04 1.33670190000E-04
|
|
1.12996080000E-04 9.52318870000E-05 8.00146510000E-05 6.70196620000E-05
|
|
5.59574130000E-05 4.65706580000E-05 3.86316030000E-05 3.19392360000E-05
|
|
2.63168020000E-05 2.16094360000E-05 1.76819420000E-05 1.44167280000E-05
|
|
1.17118930000E-05 9.47947310000E-06 7.64381920000E-06 6.14013020000E-06
|
|
4.91311520000E-06 3.91578560000E-06 3.10837330000E-06 2.45735220000E-06
|
|
1.93459830000E-06 1.51655830000E-06 1.18373790000E-06 9.19805530000E-07
|
|
7.11432290000E-07 5.47760100000E-07 4.19816280000E-07 3.20262480000E-07
|
|
2.43161680000E-07 1.83734400000E-07 1.38151430000E-07 1.03360000000E-07
|
|
7.69385170000E-08 5.69758210000E-08 4.19713970000E-08 3.07533260000E-08
|
|
2.24112210000E-08 1.62417240000E-08 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
2P 1 3.00 Wavefunction
|
|
9.66907170000E-07 1.00104500000E-06 1.03638820000E-06 1.07297920000E-06
|
|
1.11086200000E-06 1.15008240000E-06 1.19068750000E-06 1.23272620000E-06
|
|
1.27624910000E-06 1.32130860000E-06 1.36795900000E-06 1.41625640000E-06
|
|
1.46625910000E-06 1.51802710000E-06 1.57162290000E-06 1.62711090000E-06
|
|
1.68455790000E-06 1.74403320000E-06 1.80560830000E-06 1.86935740000E-06
|
|
1.93535730000E-06 2.00368730000E-06 2.07442970000E-06 2.14766980000E-06
|
|
2.22349570000E-06 2.30199880000E-06 2.38327340000E-06 2.46741750000E-06
|
|
2.55453240000E-06 2.64472300000E-06 2.73809780000E-06 2.83476930000E-06
|
|
2.93485390000E-06 3.03847200000E-06 3.14574850000E-06 3.25681240000E-06
|
|
3.37179760000E-06 3.49084240000E-06 3.61409010000E-06 3.74168930000E-06
|
|
3.87379340000E-06 4.01056150000E-06 4.15215830000E-06 4.29875430000E-06
|
|
4.45052600000E-06 4.60765610000E-06 4.77033370000E-06 4.93875480000E-06
|
|
5.11312210000E-06 5.29364550000E-06 5.48054240000E-06 5.67403780000E-06
|
|
5.87436460000E-06 6.08176400000E-06 6.29648580000E-06 6.51878840000E-06
|
|
6.74893950000E-06 6.98721620000E-06 7.23390530000E-06 7.48930380000E-06
|
|
7.75371930000E-06 8.02746990000E-06 8.31088540000E-06 8.60430690000E-06
|
|
8.90808770000E-06 9.22259340000E-06 9.54820280000E-06 9.88530790000E-06
|
|
1.02343140000E-05 1.05956420000E-05 1.09697270000E-05 1.13570190000E-05
|
|
1.17579840000E-05 1.21731050000E-05 1.26028810000E-05 1.30478310000E-05
|
|
1.35084890000E-05 1.39854110000E-05 1.44791700000E-05 1.49903610000E-05
|
|
1.55195990000E-05 1.60675210000E-05 1.66347880000E-05 1.72220810000E-05
|
|
1.78301070000E-05 1.84596000000E-05 1.91113160000E-05 1.97860400000E-05
|
|
2.04845840000E-05 2.12077890000E-05 2.19565250000E-05 2.27316950000E-05
|
|
2.35342310000E-05 2.43650980000E-05 2.52252980000E-05 2.61158650000E-05
|
|
2.70378710000E-05 2.79924270000E-05 2.89806810000E-05 3.00038230000E-05
|
|
3.10630830000E-05 3.21597380000E-05 3.32951070000E-05 3.44705570000E-05
|
|
3.56875010000E-05 3.69474060000E-05 3.82517870000E-05 3.96022140000E-05
|
|
4.10003120000E-05 4.24477640000E-05 4.39463120000E-05 4.54977590000E-05
|
|
4.71039720000E-05 4.87668850000E-05 5.04884980000E-05 5.22708830000E-05
|
|
5.41161840000E-05 5.60266230000E-05 5.80044980000E-05 6.00521880000E-05
|
|
6.21721590000E-05 6.43669600000E-05 6.66392320000E-05 6.89917090000E-05
|
|
7.14272210000E-05 7.39486980000E-05 7.65591750000E-05 7.92617900000E-05
|
|
8.20597960000E-05 8.49565580000E-05 8.79555610000E-05 9.10604120000E-05
|
|
9.42748450000E-05 9.76027270000E-05 1.01048060000E-04 1.04614990000E-04
|
|
1.08307800000E-04 1.12130940000E-04 1.16089000000E-04 1.20186740000E-04
|
|
1.24429100000E-04 1.28821160000E-04 1.33368210000E-04 1.38075720000E-04
|
|
1.42949350000E-04 1.47994960000E-04 1.53218600000E-04 1.58626570000E-04
|
|
1.64225350000E-04 1.70021680000E-04 1.76022530000E-04 1.82235100000E-04
|
|
1.88666860000E-04 1.95325540000E-04 2.02219130000E-04 2.09355930000E-04
|
|
2.16744490000E-04 2.24393710000E-04 2.32312750000E-04 2.40511140000E-04
|
|
2.48998720000E-04 2.57785680000E-04 2.66882570000E-04 2.76300310000E-04
|
|
2.86050200000E-04 2.96143940000E-04 3.06593660000E-04 3.17411880000E-04
|
|
3.28611590000E-04 3.40206230000E-04 3.52209690000E-04 3.64636380000E-04
|
|
3.77501200000E-04 3.90819580000E-04 4.04607470000E-04 4.18881410000E-04
|
|
4.33658500000E-04 4.48956450000E-04 4.64793590000E-04 4.81188880000E-04
|
|
4.98161960000E-04 5.15733160000E-04 5.33923500000E-04 5.52754770000E-04
|
|
5.72249500000E-04 5.92431000000E-04 6.13323420000E-04 6.34951740000E-04
|
|
6.57341830000E-04 6.80520430000E-04 7.04515260000E-04 7.29354960000E-04
|
|
7.55069220000E-04 7.81688730000E-04 8.09245250000E-04 8.37771690000E-04
|
|
8.67302050000E-04 8.97871560000E-04 9.29516650000E-04 9.62275030000E-04
|
|
9.96185720000E-04 1.03128910000E-03 1.06762700000E-03 1.10524250000E-03
|
|
1.14418050000E-03 1.18448730000E-03 1.22621060000E-03 1.26940010000E-03
|
|
1.31410710000E-03 1.36038450000E-03 1.40828730000E-03 1.45787220000E-03
|
|
1.50919800000E-03 1.56232540000E-03 1.61731730000E-03 1.67423860000E-03
|
|
1.73315680000E-03 1.79414130000E-03 1.85726400000E-03 1.92259950000E-03
|
|
1.99022470000E-03 2.06021920000E-03 2.13266540000E-03 2.20764840000E-03
|
|
2.28525630000E-03 2.36558010000E-03 2.44871410000E-03 2.53475550000E-03
|
|
2.62380500000E-03 2.71596680000E-03 2.81134840000E-03 2.91006110000E-03
|
|
3.01221980000E-03 3.11794340000E-03 3.22735480000E-03 3.34058100000E-03
|
|
3.45775310000E-03 3.57900690000E-03 3.70448250000E-03 3.83432470000E-03
|
|
3.96868310000E-03 4.10771230000E-03 4.25157190000E-03 4.40042710000E-03
|
|
4.55444800000E-03 4.71381080000E-03 4.87869710000E-03 5.04929470000E-03
|
|
5.22579710000E-03 5.40840460000E-03 5.59732350000E-03 5.79276710000E-03
|
|
5.99495520000E-03 6.20411500000E-03 6.42048060000E-03 6.64429370000E-03
|
|
6.87580360000E-03 7.11526730000E-03 7.36295010000E-03 7.61912520000E-03
|
|
7.88407460000E-03 8.15808880000E-03 8.44146730000E-03 8.73451840000E-03
|
|
9.03756020000E-03 9.35092000000E-03 9.67493500000E-03 1.00099520000E-02
|
|
1.03563290000E-02 1.07144340000E-02 1.10846450000E-02 1.14673500000E-02
|
|
1.18629520000E-02 1.22718610000E-02 1.26945000000E-02 1.31313040000E-02
|
|
1.35827190000E-02 1.40492050000E-02 1.45312310000E-02 1.50292820000E-02
|
|
1.55438520000E-02 1.60754490000E-02 1.66245950000E-02 1.71918230000E-02
|
|
1.77776790000E-02 1.83827230000E-02 1.90075280000E-02 1.96526770000E-02
|
|
2.03187700000E-02 2.10064180000E-02 2.17162430000E-02 2.24488830000E-02
|
|
2.32049850000E-02 2.39852100000E-02 2.47902320000E-02 2.56207330000E-02
|
|
2.64774080000E-02 2.73609650000E-02 2.82721180000E-02 2.92115920000E-02
|
|
3.01801230000E-02 3.11784510000E-02 3.22073260000E-02 3.32675050000E-02
|
|
3.43597460000E-02 3.54848150000E-02 3.66434800000E-02 3.78365070000E-02
|
|
3.90646670000E-02 4.03287230000E-02 4.16294400000E-02 4.29675720000E-02
|
|
4.43438690000E-02 4.57590690000E-02 4.72138950000E-02 4.87090590000E-02
|
|
5.02452500000E-02 5.18231390000E-02 5.34433690000E-02 5.51065560000E-02
|
|
5.68132860000E-02 5.85641040000E-02 6.03595180000E-02 6.21999900000E-02
|
|
6.40859340000E-02 6.60177060000E-02 6.79956050000E-02 7.00198650000E-02
|
|
7.20906460000E-02 7.42080360000E-02 7.63720350000E-02 7.85825590000E-02
|
|
8.08394230000E-02 8.31423440000E-02 8.54909260000E-02 8.78846620000E-02
|
|
9.03229160000E-02 9.28049250000E-02 9.53297900000E-02 9.78964660000E-02
|
|
1.00503760000E-01 1.03150310000E-01 1.05834600000E-01 1.08554960000E-01
|
|
1.11309510000E-01 1.14096210000E-01 1.16912840000E-01 1.19756970000E-01
|
|
1.22626000000E-01 1.25517140000E-01 1.28427370000E-01 1.31353530000E-01
|
|
1.34292220000E-01 1.37239880000E-01 1.40192770000E-01 1.43146960000E-01
|
|
1.46098360000E-01 1.49042730000E-01 1.51975690000E-01 1.54892730000E-01
|
|
1.57789220000E-01 1.60660480000E-01 1.63501720000E-01 1.66308150000E-01
|
|
1.69074940000E-01 1.71797300000E-01 1.74470480000E-01 1.77089830000E-01
|
|
1.79650780000E-01 1.82148970000E-01 1.84580200000E-01 1.86940510000E-01
|
|
1.89226220000E-01 1.91433940000E-01 1.93560640000E-01 1.95603660000E-01
|
|
1.97560740000E-01 1.99430080000E-01 2.01210300000E-01 2.02900520000E-01
|
|
2.04500340000E-01 2.06009830000E-01 2.07429570000E-01 2.08760570000E-01
|
|
2.10004310000E-01 2.11162660000E-01 2.12237870000E-01 2.13232470000E-01
|
|
2.14149260000E-01 2.14991160000E-01 2.15761200000E-01 2.16462340000E-01
|
|
2.17097440000E-01 2.17669110000E-01 2.18179580000E-01 2.18630630000E-01
|
|
2.19023450000E-01 2.19358590000E-01 2.19635820000E-01 2.19854120000E-01
|
|
2.20011680000E-01 2.20105880000E-01 2.20133420000E-01 2.20090400000E-01
|
|
2.19972570000E-01 2.19775530000E-01 2.19495090000E-01 2.19127570000E-01
|
|
2.18670090000E-01 2.18120860000E-01 2.17479150000E-01 2.16745120000E-01
|
|
2.15919260000E-01 2.15002170000E-01 2.13994550000E-01 2.12897280000E-01
|
|
2.11711340000E-01 2.10437820000E-01 2.09077950000E-01 2.07633060000E-01
|
|
2.06104620000E-01 2.04494170000E-01 2.02803380000E-01 2.01034020000E-01
|
|
1.99187960000E-01 1.97267160000E-01 1.95273660000E-01 1.93209600000E-01
|
|
1.91077200000E-01 1.88878740000E-01 1.86616590000E-01 1.84293190000E-01
|
|
1.81911010000E-01 1.79472610000E-01 1.76980590000E-01 1.74437600000E-01
|
|
1.71846330000E-01 1.69209500000E-01 1.66529880000E-01 1.63810250000E-01
|
|
1.61053420000E-01 1.58262230000E-01 1.55439510000E-01 1.52588120000E-01
|
|
1.49710900000E-01 1.46810720000E-01 1.43890410000E-01 1.40952810000E-01
|
|
1.38000750000E-01 1.35037030000E-01 1.32064420000E-01 1.29085690000E-01
|
|
1.26103540000E-01 1.23120660000E-01 1.20139700000E-01 1.17163250000E-01
|
|
1.14193880000E-01 1.11234070000E-01 1.08286280000E-01 1.05352910000E-01
|
|
1.02436270000E-01 9.95386490000E-02 9.66622370000E-02 9.38091730000E-02
|
|
9.09815240000E-02 8.81812830000E-02 8.54103740000E-02 8.26706450000E-02
|
|
7.99638690000E-02 7.72917450000E-02 7.46558960000E-02 7.20578700000E-02
|
|
6.94991370000E-02 6.69810950000E-02 6.45050680000E-02 6.20723050000E-02
|
|
5.96839850000E-02 5.73412130000E-02 5.50450280000E-02 5.27964000000E-02
|
|
5.05962300000E-02 4.84453550000E-02 4.63445470000E-02 4.42945140000E-02
|
|
4.22958990000E-02 4.03492820000E-02 3.84551760000E-02 3.66140310000E-02
|
|
3.48262270000E-02 3.30920740000E-02 3.14118060000E-02 2.97855840000E-02
|
|
2.82134850000E-02 2.66955000000E-02 2.52315330000E-02 2.38213930000E-02
|
|
2.24647940000E-02 2.11613510000E-02 1.99105790000E-02 1.87118970000E-02
|
|
1.75646240000E-02 1.64679860000E-02 1.54211210000E-02 1.44230840000E-02
|
|
1.34728530000E-02 1.25693390000E-02 1.17113930000E-02 1.08978140000E-02
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0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
|
|
</PP_RHOATOM>
|