mirror of https://github.com/QMCPACK/qmcpack.git
3552 lines
318 KiB
Plaintext
3552 lines
318 KiB
Plaintext
<PP_INFO>
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Generated using ppconvert
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Author: Kenneth P. Esler Generation date: 05/13/11
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</PP_INFO>
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<PP_HEADER>
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0 Version Number
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C Element
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NC Norm - Conserving pseudopotential
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F Nonlinear Core Correction
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SLA PW PBE PBE Exchange-Correlation functional
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4.0000000000 Z valence
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0.0000000000 Total energy
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0.000000 0.000000 Suggested cutoff for wfc and rho
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1 Max angular momentum component
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2000 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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0s 0 2.0000
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0p 1 2.0000
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</PP_HEADER>
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<PP_MESH>
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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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2000
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0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
0.00000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
|
|
|
|
</PP_BETA>
|
|
<PP_DIJ>
|
|
1 Number of nonzero Dij
|
|
1 1 1.04585907726364291115e+00
|
|
</PP_DIJ>
|
|
</PP_NONLOCAL>
|
|
<PP_PSWFC>
|
|
0s 0 2.0000 Wavefunction
|
|
1.91675985296e-06 3.84553697015352973e-06 5.78640669499100581e-06 7.73944484328273716e-06
|
|
9.70472770618e-06 1.16823320531465783e-05 1.36723351349850376e-05 1.56748146868275778e-05
|
|
1.76898489312e-05 1.97175165810069995e-05 2.17578968427431281e-05 2.38110694194512287e-05
|
|
2.58771145139e-05 2.79561128317247455e-05 3.00481455845381731e-05 3.21532944931453055e-05
|
|
3.42716417907e-05 3.64032702259965918e-05 3.85482630665532865e-05 4.07067041020145326e-05
|
|
4.28786776473e-05 4.50642685461631384e-05 4.72635621740062853e-05 4.94766444417158848e-05
|
|
5.17036017988e-05 5.39445212366598627e-05 5.61994902923004336e-05 5.84685970514383488e-05
|
|
6.07519301521e-05 6.30495787880490626e-05 6.53616327122800566e-05 6.76881822405158567e-05
|
|
7.00293182547e-05 7.23851322067496769e-05 7.47557161217224939e-05 7.71411626018178869e-05
|
|
7.95415648298e-05 8.19570165726382692e-05 8.43876121852523916e-05 8.68334466141170271e-05
|
|
8.92946154010e-05 9.17712146867476132e-05 9.42633412149195075e-05 9.67710923356898201e-05
|
|
9.92945660096e-05 1.01833860811347359e-04 1.04389075933738551e-04 1.06960311191462755e-04
|
|
1.09547667025e-04 1.12151244504748524e-04 1.14771145334547107e-04 1.17407471856075069e-04
|
|
1.20060327053e-04 1.22729814553232804e-04 1.25416038636599094e-04 1.28119104235290915e-04
|
|
1.30839116940e-04 1.33576183002570424e-04 1.36330409342371540e-04 1.39101903548253885e-04
|
|
1.41890773884e-04 1.44697129291650845e-04 1.47521079397125443e-04 1.50362734513141195e-04
|
|
1.53222205644e-04 1.56099604490816273e-04 1.58995043453827659e-04 1.61908635638840332e-04
|
|
1.64840494861e-04 1.67790735647553227e-04 1.70759473246104315e-04 1.73746823625336538e-04
|
|
1.76752903481e-04 1.79777830242265477e-04 1.82821722071968085e-04 1.85884697875569085e-04
|
|
1.88966877304e-04 1.92068380756920667e-04 1.95189329391127510e-04 1.98329845121583681e-04
|
|
2.01490050628e-04 2.04670069359433592e-04 2.07870025538760722e-04 2.11090044167881822e-04
|
|
2.14330251032e-04 2.17590772706724054e-04 2.20871736558709132e-04 2.24173270754938797e-04
|
|
2.27495504266e-04 2.30838566869459035e-04 2.34202589159120366e-04 2.37587702545943012e-04
|
|
2.40994039265e-04 2.44421732381569002e-04 2.47870915793650302e-04 2.51341724239880393e-04
|
|
2.54834293303e-04 2.58348759417704435e-04 2.61885259871407709e-04 2.65443932814174780e-04
|
|
2.69024917262e-04 2.72628353101880437e-04 2.76254381098914336e-04 2.79903142900170395e-04
|
|
2.83574781041e-04 2.87269438950640854e-04 2.90987260957428393e-04 2.94728392294830749e-04
|
|
2.98492979107e-04 3.02281168454156929e-04 3.06093108319071660e-04 3.09928947612113511e-04
|
|
3.13788836177e-04 3.17672924798765904e-04 3.21581365205284508e-04 3.25514310077569308e-04
|
|
3.29471913054e-04 3.33454328734538461e-04 3.37461712691224341e-04 3.41494221469801395e-04
|
|
3.45552012598e-04 3.49635244591564392e-04 3.53744076959815927e-04 3.57878670212520144e-04
|
|
3.62039185866e-04 3.66225786448731304e-04 3.70438635509256608e-04 3.74677897621016542e-04
|
|
3.78943738390e-04 3.83236324458876448e-04 3.87555823517877790e-04 3.91902404306984935e-04
|
|
3.96276236625e-04 4.00677491334284401e-04 4.05106340370361691e-04 4.09562956745714208e-04
|
|
4.14047514558e-04 4.18560188996606726e-04 4.23101156349417300e-04 4.27670594009783693e-04
|
|
4.32268680483e-04 4.36895595395389970e-04 4.41551519497124668e-04 4.46236634673493693e-04
|
|
4.50951123950e-04 4.55695171499495696e-04 4.60468962650262574e-04 4.65272683892376134e-04
|
|
4.70106522885e-04 4.74970668465818087e-04 4.79865310654049794e-04 4.84790640662245340e-04
|
|
4.89746850902e-04 4.94734134989806588e-04 4.99752687758838062e-04 5.04802705262351716e-04
|
|
5.09884384783e-04 5.14997924842425844e-04 5.20143525204419597e-04 5.25321386887333511e-04
|
|
5.30531712170e-04 5.35774704598299557e-04 5.41050568996722194e-04 5.46359511472773048e-04
|
|
5.51701739427e-04 5.57077461559911283e-04 5.62486887881798853e-04 5.67930229719287340e-04
|
|
5.73407699724e-04 5.78919511882855227e-04 5.84465881522139730e-04 5.90047025320222817e-04
|
|
5.95663161314e-04 6.01314508907265974e-04 6.07001288880459617e-04 6.12723723398133952e-04
|
|
6.18482036018e-04 6.24276451700682281e-04 6.30107196816261398e-04 6.35974499155381612e-04
|
|
6.41878587937e-04 6.47819693817743817e-04 6.53798048900596277e-04 6.59813886744310338e-04
|
|
6.65867442372e-04 6.71958952282249535e-04 6.78088654454596070e-04 6.84256788362607349e-04
|
|
6.90463594981e-04 6.96709316797258565e-04 7.02994197817491634e-04 7.09318483579604543e-04
|
|
7.15682421161e-04 7.22086259189063805e-04 7.28530247849975372e-04 7.35014638899411329e-04
|
|
7.41539685672e-04 7.48105643091002428e-04 7.54712767678932515e-04 7.61361317566944425e-04
|
|
7.68051552505e-04 7.74783733873254075e-04 7.81558124689704214e-04 7.88374989623060688e-04
|
|
7.95234595002e-04 8.02137208824901565e-04 8.09083100772223945e-04 8.16072542215165496e-04
|
|
8.23105806227e-04 8.30183167594729181e-04 8.37304902827522681e-04 8.44471290169851755e-04
|
|
8.51682609611e-04 8.58939142897369688e-04 8.66241173541272081e-04 8.73588986834259828e-04
|
|
8.80982869857e-04 8.88423111491611029e-04 8.95910002431216123e-04 9.03443835193074290e-04
|
|
9.11024904129e-04 9.18653505437840631e-04 9.26329937175506078e-04 9.34054499268205797e-04
|
|
9.41827493523e-04 9.49649223641783912e-04 9.57519995229162528e-04 9.65440115808425593e-04
|
|
9.73409894832e-04 9.81429643691899721e-04 9.89499675736043964e-04 9.97620306276404255e-04
|
|
1.00579185260e-03 1.01401463399796604e-03 1.02228897174394670e-03 1.03061518914078780e-03
|
|
1.03899361152e-03 1.04742456623861582e-03 1.05590838273060322e-03 1.06444539248117562e-03
|
|
1.07303592906e-03 1.08168032812576463e-03 1.09037892744860026e-03 1.09913206691404077e-03
|
|
1.10794008854e-03 1.11680333649409884e-03 1.12572215709743880e-03 1.13469689884788038e-03
|
|
1.14372791243e-03 1.15281555072400347e-03 1.16196016883115204e-03 1.17116212407607353e-03
|
|
1.18042177603e-03 1.18973948650653947e-03 1.19911561961016651e-03 1.20855054171618197e-03
|
|
1.21804462150e-03 1.22759822995929433e-03 1.23721174040628619e-03 1.24688552850463034e-03
|
|
1.25661997227e-03 1.26641545210220085e-03 1.27627235076994104e-03 1.28619105345598173e-03
|
|
1.29617194776e-03 1.30621542370262409e-03 1.31632187376908147e-03 1.32649169289623253e-03
|
|
1.33672527850e-03 1.34702303049929442e-03 1.35738535130934708e-03 1.36781264587984216e-03
|
|
1.37830532170e-03 1.38886378881492045e-03 1.39948845984541582e-03 1.41017975000045010e-03
|
|
1.42093807710e-03 1.43176386156756833e-03 1.44265752649369019e-03 1.45361949760552077e-03
|
|
1.46465020331e-03 1.47575007469120533e-03 1.48691954555677658e-03 1.49815905242543703e-03
|
|
1.50946903456e-03 1.52084993397603812e-03 1.53230219547048109e-03 1.54382626662782798e-03
|
|
1.55542259784e-03 1.56709164233961450e-03 1.57883385618434410e-03 1.59064969830826188e-03
|
|
1.60253963052e-03 1.61450411753994664e-03 1.62654362698706279e-03 1.63865862942868287e-03
|
|
1.65084959838e-03 1.66311701034221058e-03 1.67546134478843483e-03 1.68788308421535132e-03
|
|
1.70038271415e-03 1.71296072315092317e-03 1.72561760286979470e-03 1.73835384802831271e-03
|
|
1.75116995646e-03 1.76406642911981141e-03 1.77704377011526286e-03 1.79010248671480974e-03
|
|
1.80324308937e-03 1.81646609175195291e-03 1.82977201073645157e-03 1.84316136645937419e-03
|
|
1.85663468232e-03 1.87019248500309141e-03 1.88383530450364164e-03 1.89756367414369563e-03
|
|
1.91137813060e-03 1.92527921390143043e-03 1.93926746749681985e-03 1.95334343822976299e-03
|
|
1.96750767638e-03 1.98176073569758223e-03 1.99610317339033111e-03 2.01053555018011537e-03
|
|
2.02505843031e-03 2.03967238155869975e-03 2.05437797528532345e-03 2.06917578642949740e-03
|
|
2.08406639355e-03 2.09905037882130493e-03 2.11412832810454338e-03 2.12930083092255969e-03
|
|
2.14456848051e-03 2.15993187381766181e-03 2.17539161156447966e-03 2.19094829823274955e-03
|
|
2.20660254211e-03 2.22235495529104392e-03 2.23820615374029867e-03 2.25415675727789382e-03
|
|
2.27020738962e-03 2.28635867841565487e-03 2.30261125523945065e-03 2.31896575564852084e-03
|
|
2.33542281919e-03 2.35198308943746067e-03 2.36864721400031073e-03 2.38541584456537607e-03
|
|
2.40228963691e-03 2.41926925095263231e-03 2.43635535073272137e-03 2.45354860448310534e-03
|
|
2.47084968463e-03 2.48825926784085674e-03 2.50577803501774755e-03 2.52340667135762938e-03
|
|
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6.07608690897e-04 5.72917565045718375e-04 5.40002549355731516e-04 5.08784690370267978e-04
|
|
4.79187895543e-04 4.51138869967513897e-04 4.24567041784550743e-04 3.99404488359671563e-04
|
|
3.75585866396e-04 3.53048340417184416e-04 3.31731517461577804e-04 3.11577368617119523e-04
|
|
2.92530168598e-04 2.74536426095653853e-04 2.57544815225411278e-04 2.41506110983411590e-04
|
|
2.26373123556e-04 2.12100638137264309e-04 1.98645344488471365e-04 1.85965781758876586e-04
|
|
1.74022275993e-04 1.62776878930135597e-04 1.52193310675823458e-04 1.42236901633381845e-04
|
|
1.32874539218e-04 1.24074606791850495e-04 1.15806935228093206e-04 1.08042748830984518e-04
|
|
1.00754612633e-04 9.39163832621216514e-05 8.75031593905200618e-05 8.14912362458427360e-05
|
|
7.58580543963e-05 7.05821587401221580e-05 6.56431532746706061e-05 6.10216572201791551e-05
|
|
5.66992643042e-05 5.26585018705811884e-05 4.88827933551903710e-05 4.53564166771442152e-05
|
|
4.20644706835e-05 3.89928385310539549e-05 3.61281523281036529e-05 3.34577604711551793e-05
|
|
3.09696949729e-05 2.86526415117181935e-05 2.64959066643712930e-05 2.44893913401973443e-05
|
|
2.26235620633e-05 2.08894233713611719e-05 1.92784924299754928e-05 1.77827737425261388e-05
|
|
1.63947360027e-05 1.51072870740908795e-05 1.39137536267452939e-05 1.28078593119175172e-05
|
|
1.17837038837e-05 1.08357440813219348e-05 9.95877465870821486e-06 9.14791105685508695e-06
|
|
8.39857088051e-06 7.70645877997413480e-06 7.06755037794049349e-06 6.47807696556056646e-06
|
|
5.93451155131e-06 5.43355507316757100e-06 4.97212383484041091e-06 4.54733621308158921e-06
|
|
4.15650178830e-06 3.79710987586278306e-06 3.46681865875662332e-06 3.16344532518204226e-06
|
|
2.88495636151e-06 2.62945873131436981e-06 2.39519063311290374e-06 2.18051393477537275e-06
|
|
1.98390624858e-06 1.80395345877514711e-06 1.63934297086183711e-06 1.48885709515397847e-06
|
|
1.35136705270e-06 1.22582675312031355e-06 1.11126769905135782e-06 1.00679368613961539e-06
|
|
9.11575830829e-07 8.24848099208509353e-07 7.45902943682957805e-07 6.74087363401481374e-07
|
|
6.08798851316e-07 5.49482075693509156e-07 4.95625452205141604e-07 4.46757944772962316e-07
|
|
4.02446202403e-07 3.62291777526121582e-07 3.25928623668472197e-07 2.93020543536879787e-07
|
|
2.63259101018e-07 2.36361479021963986e-07 2.12068491001004738e-07 1.90142809948365622e-07
|
|
1.70367255758e-07 1.52543260638529655e-07 1.36489317493938221e-07 1.22039711892214595e-07
|
|
1.09043229967e-07 9.73619656713527560e-08 8.68702637772521206e-08 7.74537079892708581e-08
|
|
6.90081864294e-08 6.14390353820280121e-08 5.46602431430440149e-08 4.85937254974845323e-08
|
|
4.31686307289e-08 3.83207316259991634e-08 3.39918462468882746e-08 3.01293059053448784e-08
|
|
2.66854708007e-08 2.36172817012219487e-08 2.08858540886720865e-08 1.84560913464253639e-08
|
|
1.62963481483e-08 1.43781113851702850e-08 1.26757087785765254e-08 1.11660453009286675e-08
|
|
9.82836038545e-09 8.64400932911850870e-09 7.59625632455979108e-09 6.67009533483673394e-09
|
|
5.85208119616e-09 5.13017629392793205e-09 4.49361278558500162e-09 3.93276633016808625e-09
|
|
3.43904304772e-09 3.00477321704731349e-09 2.62311979441404961e-09 2.28799263170427993e-09
|
|
1.99397108726e-09 1.73623495364048871e-09 1.51050148960465226e-09 1.31296938497627472e-09
|
|
1.14026643339e-09 9.89404765063309452e-10 8.57739111095892347e-10 7.42929394655091773e-10
|
|
6.42907573876e-10 5.55847583418623292e-10 4.80138751835153204e-10 4.14361156631535776e-10
|
|
3.57264668558e-10 3.07749533117419844e-10 2.64849082634803937e-10 2.27714522426260381e-10
|
|
1.95601219498e-10 1.67856655520025875e-10 1.43909341041580429e-10 1.23259448984058169e-10
|
|
1.05470190166e-10 9.01601891091890570e-11 7.69968237923711338e-11 6.56902600981858504e-11
|
|
5.59882459209e-11 4.76713575322847950e-11 4.05490096837929260e-11 3.44558061451495039e-11
|
|
2.92483371892e-11 2.48024031585891369e-11 2.10105436848272271e-11 1.77798968260723653e-11
|
|
1.50302597738e-11 1.26924723125841305e-11 1.07069484702850669e-11 9.02239786108257673e-12
|
|
7.59472581253e-12 6.38606121254680421e-12 5.36392040310018434e-12 4.50045605430170727e-12
|
|
3.77183552464e-12 3.15768030966093611e-12 2.64058180576121267e-12 2.20568814606638925e-12
|
|
1.84034161276e-12 1.53376920300074366e-12 1.27680702788796741e-12 1.06167392135488717e-12
|
|
8.81768848757e-13 7.31497355352775760e-13 6.06124725005906735e-13 5.01648076379455127e-13
|
|
4.14688090875e-13 3.42393436831662030e-13 2.82362868709903713e-13 2.32576070571144149e-13
|
|
1.91334927717e-13 1.57214266994790099e-13 1.29019285985294198e-13 1.05749820337442647e-13
|
|
8.65690926301e-14 7.07784466779395312e-14 5.77951047253835922e-14 4.71334500130683841e-14
|
|
3.83894679755e-14 3.12274105822714073e-14 2.53687014143946040e-14 2.05823253896192817e-14
|
|
1.66771246739e-14 1.34950754627221499e-14 1.09056839148051934e-14 8.80137113531904796e-15
|
|
7.09355776531e-15 5.70940079630879035e-15 4.58908267850755516e-15 3.68354743195285686e-15
|
|
2.95262652862e-15 2.36346079844071131e-15 1.88921838981808380e-15 1.50801685131310569e-15
|
|
1.20203358433e-15 9.56774292247581255e-16 7.60467711870936407e-16 6.03569469356632124e-16
|
|
4.78348490188e-16 3.78554397981796606e-16 2.99140501761891027e-16 2.36037534702917434e-16
|
|
1.85969526320e-16 1.46302934466779105e-16 1.14924244441319464e-16 9.01390018833378443e-17
|
|
7.05914701446e-17 5.51983756386933915e-17 4.30953708298711662e-17 3.35939401890819226e-17
|
|
2.61464480452e-17 2.03180848650297997e-17 1.57639787612073294e-17 1.22111813386177164e-17
|
|
9.44396581367e-18 7.29207995272968620e-18 5.62139723440408373e-18 4.32641464728847711e-18
|
|
3.32429844146e-18 2.55008154801199888e-18 1.95292668586279719e-18 1.49310958134844449e-18
|
|
1.13963664430e-18 8.68371283195926246e-19 6.60546982336207889e-19 5.01600945300871019e-19
|
|
3.80244528408e-19 2.87748489462825395e-19 2.17372511172832806e-19 1.63920192671867179e-19
|
|
1.23393329963e-19 9.27207388807490805e-20 6.95481319229898580e-20 5.20727334946517591e-20
|
|
3.89176776861e-20 2.90329487686910007e-20 2.16190920798290104e-20 1.60686998882535651e-20
|
|
1.19210701960e-20 8.82752065310073079e-21 6.52444156805282020e-21 4.81309280699238663e-21
|
|
3.54386800467e-21 2.60433698881343043e-21 1.91019562268833131e-21 1.39834196380286246e-21
|
|
1.02164985845e-21 7.44963575047295792e-22 5.42134859449069152e-22 3.93745160435967231e-22
|
|
2.85398781719e-22 2.06448838873011349e-22 1.49035473744294078e-22 1.07369926662422045e-22
|
|
7.71936169500e-23 5.53835551679310758e-23 3.96531295537757305e-23 2.83311403377785058e-23
|
|
2.01992296600e-23 1.43708577598757419e-23 1.02025206921113751e-23 7.22765925976027681e-24
|
|
5.10914432910e-24 3.60375968590463293e-24 2.53636997016151202e-24 1.78119920312036502e-24
|
|
1.24809583832e-24 8.72609271834649104e-25 6.08716214727072647e-25 4.23670276455088266e-25
|
|
2.94209384515e-25 2.03840976400330235e-25 1.40905080518940921e-25 9.71748462145157061e-26
|
|
6.68613963859e-26 4.58961171182226375e-26 3.14304320364873151e-26 2.14731941433630180e-26
|
|
1.46354051665e-26 9.95103313569636488e-27 6.74965857229316983e-27 4.56708096195812340e-27
|
|
3.08270433783e-27 2.07564332947678566e-27 1.39412002915449389e-27 9.34034025521544992e-28
|
|
6.24214187886e-28 4.16109927235394461e-28 2.76680474818630675e-28 1.83500627194880043e-28
|
|
1.21388049525e-28 8.00928481111760820e-29 5.27081474935053239e-29 3.45956195543447244e-29
|
|
2.26474473580e-29 1.47864522372248516e-29 9.62825329781290089e-30 6.25258730310901019e-30
|
|
4.04950927242e-30 2.61553216930994990e-30 1.68471235529613571e-30 1.08216989685750546e-30
|
|
6.93202408522e-31 4.42803865951072675e-31 2.82058052126049930e-31 1.79161632609446913e-31
|
|
1.13478334176e-31 7.16696412365136438e-32 4.51344930106399111e-32 2.83414997869673922e-32
|
|
1.77447291654e-32 1.10773581928015014e-32 6.89492477968260207e-33 4.27886043354443030e-33
|
|
2.64743230891e-33 1.63311788448228986e-33 1.00437212900491218e-33 6.15810554615573613e-34
|
|
3.76410524260e-34 2.29376043875253745e-34 1.39341570415037469e-34 8.43825584050689380e-35
|
|
5.09405018889e-35 3.06548448547886107e-35 1.83886921025287483e-35 1.09952167232142249e-35
|
|
6.55347517921e-36 3.89335527828322044e-36 2.30544187439505461e-36 1.36070250593128168e-36
|
|
8.00452833028e-37 4.69312188414061439e-37 2.74236509542619467e-37 1.59714735362706122e-37
|
|
9.27009659868e-38 5.36212321936661430e-38 3.09105111809394791e-38 1.77571973787435366e-38
|
|
1.01655528059e-38 5.79906402850948987e-39 3.29670918689147914e-39 1.86747426775384928e-39
|
|
1.05408168370e-39 5.92852208933049001e-40 3.32238278327706553e-40 1.85512426535575664e-40
|
|
1.03203944457e-40 5.72075411303991886e-41 3.15929074100878472e-41 1.73820371979972131e-41
|
|
9.52790973604e-42 5.20300918277460170e-42 2.83048081665062220e-42 1.53388164823014000e-42
|
|
8.28120456957e-43 4.45347125522677996e-43 2.38563605872039255e-43 1.27299490676692049e-43
|
|
6.76604077761e-44 3.58192403134217047e-44 1.88862785899769895e-44 9.91930987642429057e-45
|
|
5.18847677597e-45 2.70284171499466303e-45 1.40232003558794439e-45 7.24570886916637519e-46
|
|
3.72829254261e-46 1.91031730784233188e-46 9.74855139027924308e-47 4.95351180168712792e-47
|
|
2.50626273829e-47 1.26273595764613247e-47 6.33466211213191812e-48 3.16407990480495729e-48
|
|
1.57357495863e-48 7.79162857931027706e-49 3.84108053613790780e-49 1.88509217741153649e-49
|
|
9.21105091558e-50 4.48047590525252398e-50 2.16953089066238556e-50 1.04578343145132909e-50
|
|
5.01803145347e-51 2.39675051440297428e-51 1.13939805055602684e-51 5.39198571243189442e-52
|
|
2.53962198381e-52 1.19048918883287363e-52 5.55432675434590549e-53 2.57907503449780382e-53
|
|
1.19180081168e-53 5.48038245343252899e-54 2.50819077897189982e-54 1.14224936188996970e-54
|
|
5.17609179852e-55 2.33402345059937792e-55 1.04722896669348053e-55 4.67509178475430481e-56
|
|
2.07637193398e-56 9.17664008503980351e-57 4.03469604737512008e-57 1.76473013500092061e-57
|
|
7.67923565360e-58 3.32424401788792318e-58 1.43146286941304179e-58 6.13094047817467456e-59
|
|
2.61251270588e-59 1.10720987690873684e-59 4.66698213745556579e-60 1.95669081190041808e-60
|
|
8.15906826187e-61 3.38350196083633129e-61 1.39520884662078153e-61 5.72291863839946719e-62
|
|
2.33410799693e-62 9.46560252893067436e-63 3.81738645765032408e-63 1.53087344312860911e-63
|
|
6.10670973661e-64 2.42863364774907238e-64 9.78618997417629804e-65 4.37649398727989023e-65
|
|
|
|
0p 1 2.0000 Wavefunction
|
|
4.09301036098e-11 1.64748480205774233e-10 3.73014182038764408e-10 6.67309109675382595e-10
|
|
1.04923831969e-09 1.52043033637378429e-09 2.08253746744126053e-09 2.73723612390536124e-09
|
|
3.48622714405e-09 4.33123612165320287e-09 5.27401373840543006e-09 6.31633610072288940e-09
|
|
7.46000508087e-09 8.70684866252479036e-09 1.00587212908367775e-08 1.15175042270028976e-08
|
|
1.30851059075e-08 1.47634623076966837e-08 1.65545373108547154e-08 1.84603230810060670e-08
|
|
2.04828404413e-08 2.26241392572169426e-08 2.48862988241883836e-08 2.72714282610381875e-08
|
|
2.97816669079e-08 3.24191847295979699e-08 3.51861827240260881e-08 3.80848933360502655e-08
|
|
4.11175808766e-08 4.42865419471496681e-08 4.75941058699312584e-08 5.10426351233664597e-08
|
|
5.46345257834e-08 5.83722079703312102e-08 6.22581463016902801e-08 6.62948403506238103e-08
|
|
7.04848251105e-08 7.48306714651488986e-08 7.93349866658463174e-08 8.40004148135788027e-08
|
|
8.88296373482e-08 9.38253735435824918e-08 9.89903810093341516e-08 1.04327456198810139e-07
|
|
1.09839434924e-07 1.15529192875854630e-07 1.21399646154205394e-07 1.27453751800672843e-07
|
|
1.33694508341e-07 1.40124956335215186e-07 1.46748178930070600e-07 1.53567302425287962e-07
|
|
1.60585496842e-07 1.67805976500950432e-07 1.75232000606745202e-07 1.82866873841039906e-07
|
|
1.90713946962e-07 1.98776617413710050e-07 2.07058329938828240e-07 2.15562577205172195e-07
|
|
2.24292900436e-07 2.33252890049139719e-07 2.42446186306746615e-07 2.51876479969792257e-07
|
|
2.61547512964e-07 2.71463079051403593e-07 2.81627024515348258e-07 2.92043248848112163e-07
|
|
3.02715705452e-07 3.13648402347655494e-07 3.24845402891601171e-07 3.36310826503240436e-07
|
|
3.48048849401e-07 3.60063705348084116e-07 3.72359686407576643e-07 3.84941143707528389e-07
|
|
3.97812488216e-07 4.10978191524009992e-07 4.24442786643859497e-07 4.38210868810558415e-07
|
|
4.52287096299e-07 4.66676191248890249e-07 4.81382940502056979e-07 4.96412196448578069e-07
|
|
5.11768877885e-07 5.27457970884194646e-07 5.43484529673431703e-07 5.59853677527756608e-07
|
|
5.76570607672e-07 5.93640584194234569e-07 6.11068942974062431e-07 6.28861092618353982e-07
|
|
6.47022515412e-07 6.65558768281364827e-07 6.84475483765657087e-07 7.03778371006942216e-07
|
|
7.23473216748e-07 7.43565886345856879e-07 7.64062324795406223e-07 7.84968557769568900e-07
|
|
8.06290692670e-07 8.28034919693391534e-07 8.50207512908454339e-07 8.72814831350411541e-07
|
|
8.95863320127e-07 9.19359511537886166e-07 9.43310026212860951e-07 9.67721574258384626e-07
|
|
9.92600956423e-07 1.01795506527851818e-06 1.04379088640976049e-06 1.07011549962866799e-06
|
|
1.09693608020e-06 1.12425990006772875e-06 1.15209432914104816e-06 1.18044683653749494e-06
|
|
1.20932499189e-06 1.23873646663192494e-06 1.26868903535373447e-06 1.29919057710719456e-06
|
|
1.33024907678e-06 1.36187262645906142e-06 1.39406942683442589e-06 1.42684778859478057e-06
|
|
1.46021613386e-06 1.49418299762748547e-06 1.52875702922966722e-06 1.56394699382163792e-06
|
|
1.59976177388e-06 1.63621037071892200e-06 1.67330190603847251e-06 1.71104562347465060e-06
|
|
1.74945089018e-06 1.78852719843556392e-06 1.82828416724266942e-06 1.86873154399065222e-06
|
|
1.90987920610e-06 1.95173716272744143e-06 1.99431555642928202e-06 2.03762466492703381e-06
|
|
2.08167490283e-06 2.12647682343199293e-06 2.17204112045733871e-06 2.21837862992205433e-06
|
|
2.26550033195e-06 2.31341735263356159e-06 2.36214096592991815e-06 2.41168259555935578e-06
|
|
2.46205381694e-06 2.51326635916687076e-06 2.56533210695128282e-06 2.61826310267308941e-06
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</PP_PSWFC>
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2.70042555673e-17 2.12468342806076466e-17 1.66919205367228770e-17 1.30937840346831869e-17
|
|
1.02557178480e-17 8.02056252224187864e-18 6.26291954599835509e-18 4.88292390077415050e-18
|
|
3.80108698724e-18 2.95431270210276408e-18 2.29257038635863836e-18 1.77623866233634566e-18
|
|
1.37400419505e-18 1.06115295195263007e-18 8.18218472350259573e-19 6.29875650569438821e-19
|
|
4.84094987632e-19 3.71444060998899739e-19 2.84536339243147113e-19 2.17600078964271965e-19
|
|
1.66131973332e-19 1.26623865336664137e-19 9.63477033311473630e-20 7.31855663861746331e-20
|
|
5.54963932096e-20 4.20100533359321087e-20 3.17457934235346757e-20 2.39474587952843466e-20
|
|
1.80330005014e-20 1.35552312489867683e-20 1.01711659189185347e-20 7.61827431926040466e-21
|
|
5.69584062636e-21 4.25078909058771228e-21 3.16655896921629694e-21 2.35454278253415773e-21
|
|
1.74751698239e-21 1.29457191708214922e-21 9.57234645627015877e-22 7.06465004747731430e-22
|
|
5.20400733967e-22 3.82609677918251171e-22 2.80762510651994270e-22 2.05627872738666637e-22
|
|
1.50306687944e-22 1.09654383805044297e-22 7.98393071233747539e-23 5.80156835761919955e-23
|
|
4.20734217222e-23 3.04507426987110575e-23 2.19942880633966238e-23 1.58539403421040970e-23
|
|
1.14045539850e-23 8.18698153554598332e-24 5.86500547266799045e-24 4.19283866441439579e-24
|
|
2.99113731544e-24 2.12935013342634044e-24 1.51263166337317438e-24 1.07224470542575069e-24
|
|
7.58435445859e-25 5.35305725189786279e-25 3.76998793204796080e-25 2.64926599780283826e-25
|
|
1.85760122477e-25 1.29961000096255844e-25 9.07209211598681876e-26 6.31863885129560320e-26
|
|
4.39092251674e-26 3.04439344288400786e-26 2.10596197717052880e-26 1.45344471868754981e-26
|
|
1.00077504834e-26 6.87489170462405457e-27 4.71164578089143601e-27 3.22144874955032957e-27
|
|
2.19734757183e-27 1.49522412841546962e-27 1.01500236826691428e-27 6.87340715269281967e-28
|
|
4.64327539756e-28 3.12901611592708453e-28 2.10337451469645283e-28 1.41042074011537671e-28
|
|
9.43395909420e-29 6.29427108445172636e-29 4.18883560691572610e-29 2.78062717644182252e-29
|
|
1.84108812962e-29 1.21585933192821551e-29 8.00880640608510438e-30 5.26158452473403503e-30
|
|
3.44764264695e-30 2.25306783674834942e-30 1.46852169676193009e-30 9.54592152574150729e-31
|
|
6.18844493093e-31 4.00102630652367150e-31 2.57973072977631489e-31 1.65875718788886333e-31
|
|
1.06361664958e-31 6.80130579318937736e-32 4.33687976283014251e-32 2.75762691685186666e-32
|
|
1.74851095154e-32 1.10550499420850335e-32 6.96954937911824438e-33 4.38114459050062937e-33
|
|
2.74615111831e-33 1.71625973876826499e-33 1.06944638166532640e-33 6.64440713864467350e-34
|
|
4.11582447205e-34 2.54186670521331206e-34 1.56509154572718699e-34 9.60745946392224016e-35
|
|
5.87962794826e-35 3.58715615979438903e-35 2.18180738995096266e-35 1.32290033658874455e-35
|
|
7.99602651130e-36 4.81786242158706436e-36 2.89372539573769801e-36 1.73249919019816200e-36
|
|
1.03391982834e-36 6.15047712663041667e-37 3.64681476274529011e-37 2.15522830477668892e-37
|
|
1.26953760062e-37 7.45347537719992498e-38 4.36136540877988688e-38 2.54343253749472478e-38
|
|
1.47831336944e-38 8.56310099776786969e-39 4.94317172741299963e-39 2.84374231385454128e-39
|
|
1.63031349501e-39 9.31401918674412883e-40 5.30237075625596437e-40 3.00808447859128234e-40
|
|
1.70043615271e-40 9.57795982717151255e-41 5.37564191670396680e-41 3.00618962682650755e-41
|
|
1.67501702396e-41 9.29862157311718796e-42 5.14329505491026596e-42 2.83428338146927025e-42
|
|
1.55602486254e-42 8.51072720831955347e-43 4.63740192246707642e-43 2.51726024113459090e-43
|
|
1.36114371259e-43 7.33226459690576818e-44 3.93437804938482367e-44 2.10286343937469615e-44
|
|
1.11957367567e-44 5.93715057127577953e-45 3.13598433743045202e-45 1.64973580385741678e-45
|
|
8.64462888431e-46 4.51131234728304044e-46 2.34465192254111094e-46 1.21363412270177376e-46
|
|
6.25609343787e-47 3.21152028443791680e-47 1.64165147460110548e-47 8.35746319970294335e-48
|
|
4.23651666826e-48 2.13835743240867863e-48 1.07475755715541092e-48 5.37855001817970944e-49
|
|
2.67996848503e-49 1.32944635721687019e-49 6.56698294158993806e-50 3.22933709614751403e-50
|
|
1.58092628301e-50 7.70533137921549874e-51 3.73860746641374033e-51 1.80572639303994784e-51
|
|
8.68120087977e-52 4.15519746704285429e-52 1.97953000736476101e-52 9.38626002705685937e-53
|
|
4.43021781608e-53 2.08116422911568065e-53 9.73017458091663868e-54 4.52714879818404965e-54
|
|
2.09673160784e-54 9.66317125250025477e-55 4.43160541477800324e-55 2.02266145601366970e-55
|
|
9.18627036009e-56 4.15138641070844753e-56 1.86653248885338701e-56 8.35261298912150607e-57
|
|
3.71844618856e-57 1.64688973975920835e-57 7.25780762168526391e-58 3.18200014836166676e-58
|
|
1.38781909121e-58 6.02069508332954567e-59 2.59918192238135793e-59 1.11600255764786195e-59
|
|
4.76596960712e-60 2.02484325359848360e-60 8.55617236844094631e-61 3.59583950646036077e-61
|
|
1.50306385065e-61 6.24866138549380825e-62 2.58346034490127879e-62 1.06209107099721435e-62
|
|
4.34301661467e-63 1.76586299287444105e-63 7.13911266945237515e-64 2.87004829406221794e-64
|
|
1.14725526303e-64 4.55959835311541806e-65 1.80143751150528810e-65 7.07778932967164548e-66
|
|
2.76434707539e-66 1.07322832821468449e-66 4.14236507315302253e-67 1.58934666419368548e-67
|
|
6.06135018089e-68 2.29731139519143113e-68 8.65712182072208728e-69 3.24202587528985074e-69
|
|
1.20653592087e-69 4.46290534802179571e-70 1.64055754766504638e-70 5.99272675184334123e-71
|
|
2.17481803572e-71 7.84593050673947393e-72 2.81202423396419895e-72 1.00125200340072272e-72
|
|
3.54255773007e-73 1.24526812213886686e-73 4.34850714884319081e-74 1.50813376216036974e-74
|
|
5.19860290512e-75 1.77967230706893287e-75 6.05067881623047468e-76 2.04367766556362301e-76
|
|
6.85586684788e-77 2.28407057694223914e-77 7.55489698252672352e-78 2.48331517511056963e-78
|
|
8.10411116896e-79 2.62609022966879452e-79 8.45602118943289486e-80 2.70766224000909413e-80
|
|
8.64957239018e-81 2.78491228502462806e-81 9.35001801126586737e-82 3.59070891498862841e-82
|
|
|
|
</PP_RHOATOM>
|