quantum-espresso-data 6.0-3 / usr / share / espresso / pseudo / Ni.rel-pbe-nd-rrkjus.UPF

<PP_INFO>
Generated using "atomic" code by A. Dal Corso  (espresso distribution)     
Author: anonymous   Generation date:  2Sep2007                             
Ni                                                                         
    2        The Pseudo was generated with a Fully-Relativistic Calculation
   -1 1.7000000E+00    L component and cutoff radius for Local Potential
nl pn  l   occ               Rcut            Rcut US             E pseu
4S  1  0  1.00      2.00000000000      2.50000000000     -0.33011621065
4S  1  0  0.00      2.00000000000      2.50000000000      0.10000000000
4P  2  1  0.00      2.40000000000      2.60000000000     -0.05696910468
4P  2  1  0.00      2.40000000000      2.60000000000      0.30000000000
4P  2  1  0.00      2.40000000000      2.60000000000     -0.05454257888
4P  2  1  0.00      2.40000000000      2.60000000000      0.30000000000
3D  3  2  4.00      1.60000000000      2.50000000000     -0.35045629533
3D  3  2  0.00      1.60000000000      2.50000000000     -0.25000000000
3D  3  2  5.00      1.60000000000      2.50000000000     -0.33442538620
3D  3  2  0.00      1.60000000000      2.50000000000     -0.25000000000
</PP_INFO>


<PP_HEADER>
   0                   Version Number
  Ni                   Element
   US                  Ultrasoft pseudopotential
    T                  Nonlinear Core Correction
 SLA  PW   PBX  PBC    PBE  Exchange-Correlation functional
   10.00000000000      Z valence
  -90.30524855311      Total energy
     23.557    371.902 Suggested cutoff for wfc and rho
    2                  Max angular momentum component
 1195                  Number of points in mesh
    3   10             Number of Wavefunctions, Number of Projectors
 Wavefunctions         nl  l   occ
                       3D  2  4.00
                       3D  2  5.00
                       4S  0  1.00
</PP_HEADER>


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  </PP_BETA>
  <PP_BETA>
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  4P
  </PP_BETA>
  <PP_BETA>
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    2.40  2.60
  4P
  </PP_BETA>
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  3D
  </PP_BETA>
  <PP_BETA>
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  3D
  </PP_BETA>
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  3D
  </PP_BETA>
  <PP_BETA>
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  3.81926100883E-02  3.96494641953E-02  4.11628499382E-02  4.27317562940E-02
  4.43621010523E-02  4.60539487991E-02  4.78096188972E-02  4.96336765023E-02
  5.15253642412E-02  5.34909386946E-02  5.55297111035E-02  5.76472401481E-02
  5.98441277214E-02  6.21262704412E-02  6.44941985799E-02  6.69520261004E-02
  6.95041059626E-02  7.21529968008E-02  7.49022391454E-02  7.77567597966E-02
  8.07186516300E-02  8.37950197528E-02  8.69866902497E-02  9.03003958415E-02
  9.37395005125E-02  9.73105418549E-02  1.01015797379E-01  1.04862683266E-01
  1.08855420516E-01  1.12999853230E-01  1.17301445980E-01  1.21766812705E-01
  1.26401266790E-01  1.31211944900E-01  1.36204400652E-01  1.41387011603E-01
  1.46766153511E-01  1.52349015397E-01  1.58143477574E-01  1.64157748957E-01
  1.70399891835E-01  1.76878524450E-01  1.83602466884E-01  1.90581292258E-01
  1.97823907178E-01  2.05341032292E-01  2.13142472908E-01  2.21238729837E-01
  2.29641647106E-01  2.38362029199E-01  2.47411912197E-01  2.56803730610E-01
  2.66550480298E-01  2.76664865695E-01  2.87161410252E-01  2.98053797408E-01
  3.09357002216E-01  3.21086351733E-01  3.33257919177E-01  3.45887824233E-01
  3.58993371375E-01  3.72592406719E-01  3.86702753203E-01  4.01344042446E-01
  4.16535568091E-01  4.32297806181E-01  4.48652013863E-01  4.65619978114E-01
  4.83224448239E-01  5.01488835154E-01  5.20437731040E-01  5.40096121138E-01
  5.60490174029E-01  5.81646947819E-01  6.03594540122E-01  6.26361747858E-01
  6.49978792686E-01  6.74476625799E-01  6.99887483890E-01  7.26244541035E-01
  7.53582342435E-01  7.81936536077E-01  8.11343878885E-01  8.41842680997E-01
  8.73472249564E-01  9.06273437506E-01  9.40288530134E-01  9.75560905291E-01
  1.01213591592E+00  1.05006000258E+00  1.08938139956E+00  1.13014980861E+00
  1.17241669226E+00  1.21623502573E+00  1.26165976578E+00  1.30874737916E+00
  1.35755637473E+00  1.40814698515E+00  1.46058137263E+00  1.51492372438E+00
  1.57124014940E+00  1.62959887429E+00  1.69007011772E+00  1.75272627376E+00
  1.81764199766E+00  1.88489394213E+00  1.95456120537E+00  2.02672506414E+00
  2.10146915828E+00  2.17887942899E+00  2.25904428738E+00  2.34205438100E+00
  2.42800301041E+00  2.51698567427E+00  2.60910057000E+00  2.70444814630E+00
  2.80313144851E+00  2.90525597490E+00  3.01092957941E+00  3.12026270223E+00
  3.23336805788E+00  3.35036078578E+00  3.47135837538E+00  3.59648050634E+00
  3.72584913225E+00  3.85958827627E+00  3.99782399614E+00  4.14068421764E+00
  4.28829869188E+00  4.44079875707E+00  4.59831720212E+00  4.76098810970E+00
  4.92894659532E+00  5.10232859905E+00  5.28127059217E+00  5.46590932920E+00
  5.65638149832E+00  5.85282334251E+00  6.05537030552E+00  6.26415659259E+00
  6.47931469319E+00  6.70097486153E+00  6.92926459597E+00  7.16430798140E+00
  7.40622507003E+00  7.65513117997E+00  7.91113608135E+00  8.17434321567E+00
  8.44484878236E+00  8.72274079539E+00  9.00809803511E+00  9.30098897207E+00
  9.60147058648E+00  9.90958709631E+00  1.02253686423E+01  1.05488298422E+01
  1.08799683195E+01  1.12187630297E+01  1.15651726522E+01  1.19191337198E+01
  1.22805587823E+01  1.26493343876E+01  1.30253190188E+01  1.34083408756E+01
  1.37981956151E+01  1.41946439561E+01  1.45974091806E+01  1.50061745877E+01
  1.54205808019E+01  1.58402230374E+01  1.62646482682E+01  1.66933523294E+01
  1.71257769721E+01  1.75613068521E+01  1.79992664999E+01  1.84389172765E+01
  1.88794543132E+01  1.93200034970E+01  1.97596184885E+01  2.01972778200E+01
  2.06318820998E+01  2.10622513514E+01  2.14871225348E+01  2.19051472838E+01
  2.23148899047E+01  2.27148256945E+01  2.31033396142E+01  2.34787254055E+01
  2.38391851791E+01  2.41828295633E+01  2.45076784876E+01  2.48116626514E+01
  2.50926257955E+01  2.53483278216E+01  2.55764488760E+01  2.57745944720E+01
  2.59403017491E+01  2.60710469633E+01  2.61642542997E+01  2.62173061028E+01
  2.62275546289E+01  2.61923353855E+01  2.61089821755E+01  2.59748438902E+01
  2.57873031572E+01  2.55437968725E+01  2.52418386836E+01  2.48790434450E+01
  2.44531536567E+01  2.39620678785E+01  2.34038710870E+01  2.27768668944E+01
  2.20796115475E+01  2.13109495593E+01  2.04700507954E+01  1.95564488014E+01
  1.85700800879E+01  1.75113240513E+01  1.63810431513E+01  1.51806228959E+01
  1.39120111298E+01  1.25777560506E+01  1.11810423115E+01  9.72572449995E+00
  8.21635720458E+00  6.65822082802E+00  5.05734220990E+00  3.42050910279E+00
  1.75527741600E+00  6.99701726909E-02 -1.62633299089E+00 -3.32381697075E+00
 -5.01196416457E+00 -6.67960050896E+00 -8.31495579032E+00 -9.90573941475E+00
 -1.14392328098E+01 -1.29023995260E+01 -1.42820140671E+01 -1.55648918556E+01
 -1.67382296189E+01 -1.77894645307E+01 -1.87063681937E+01 -1.94772388956E+01
 -2.00911140335E+01 -2.05380027723E+01 -2.08091386442E+01 -2.08972514282E+01
 -2.07968572316E+01 -2.05045651658E+01 -2.00193984812E+01 -1.93431273862E+01
 -1.84806100550E+01 -1.74401376119E+01 -1.62337779861E+01 -1.48777126762E+01
 -1.33925594859E+01 -1.18036732744E+01 -1.01414157580E+01 -8.44138427579E+00
 -6.74458843279E+00 -5.09756245981E+00 -3.55239999364E+00 -2.16669896223E+00
 -1.00338524197E+00 -1.30560740357E-01  3.80203637029E-01  4.41952270985E-01
  7.44282978033E-02 -7.33387634766E-03  7.70201147450E-04 -3.52096978513E-05
  4.29002956195E-05  3.35982051915E-05  3.31326923246E-05  3.19472468199E-05
  3.09770771198E-05  3.01166932431E-05  2.93645028397E-05
    1.60  2.50
  3D
  </PP_BETA>
  <PP_DIJ>
   15                  Number of nonzero Dij
    1    1  3.29618166167E-01
    1    2 -3.03805162315E-01
    2    2  2.80458726174E-01
    3    3  4.32548359392E-02
    3    4  6.45149604853E-02
    4    4  9.63167798653E-02
    5    5  4.28615146570E-02
    5    6  6.50910333788E-02
    6    6  9.88863495494E-02
    7    7  3.70139988037E+00
    7    8  4.12413793960E+00
    8    8  4.58989063133E+00
    9    9  3.67374243695E+00
    9   10  3.98431632453E+00
   10   10  4.31951278681E+00
  </PP_DIJ>
  <PP_QIJ>
    0     nqf. If not zero, Qij's inside rinner are computed using qfcoef's
    1    1    0        i  j  (l(j))
 -1.19402001602E-01    Q_int
  7.27289262262E-11  7.45700677261E-11  7.64578179433E-11  7.83933567829E-11
  8.03778940197E-11  8.24126700538E-11  8.44989566864E-11  8.66380579144E-11
  8.88313107455E-11  9.10800860339E-11  9.33857893373E-11  9.57498617950E-11
  9.81737810291E-11  1.00659062068E-10  1.03207258292E-10  1.05819962408E-10
  1.08498807440E-10  1.11245467754E-10  1.14061660100E-10  1.16949144691E-10
  1.19909726299E-10  1.22945255382E-10  1.26057629245E-10  1.29248793223E-10
  1.32520741896E-10  1.35875520340E-10  1.39315225398E-10  1.42842006998E-10
  1.46458069493E-10  1.50165673040E-10  1.53967135010E-10  1.57864831441E-10
  1.61861198520E-10  1.65958734104E-10  1.70159999288E-10  1.74467619997E-10
  1.78884288634E-10  1.83412765760E-10  1.88055881820E-10  1.92816538912E-10
  1.97697712601E-10  2.02702453778E-10  2.07833890568E-10  2.13095230287E-10
  2.18489761440E-10  2.24020855785E-10  2.29691970435E-10  2.35506650019E-10
  2.41468528902E-10  2.47581333448E-10  2.53848884360E-10  2.60275099059E-10
  2.66863994137E-10  2.73619687866E-10  2.80546402773E-10  2.87648468279E-10
  2.94930323403E-10  3.02396519542E-10  3.10051723307E-10  3.17900719449E-10
  3.25948413844E-10  3.34199836559E-10  3.42660145001E-10  3.51334627135E-10
  3.60228704793E-10  3.69347937058E-10  3.78698023745E-10  3.88284808960E-10
  3.98114284752E-10  4.08192594860E-10  4.18526038552E-10  4.29121074564E-10
  4.39984325132E-10  4.51122580139E-10  4.62542801351E-10  4.74252126775E-10
  4.86257875114E-10  4.98567550347E-10  5.11188846417E-10  5.24129652037E-10
  5.37398055628E-10  5.51002350367E-10  5.64951039373E-10  5.79252841026E-10
  5.93916694409E-10  6.08951764899E-10  6.24367449898E-10  6.40173384701E-10
  6.56379448524E-10  6.72995770674E-10  6.90032736884E-10  7.07500995801E-10
  7.25411465644E-10  7.43775341030E-10  7.62604099966E-10  7.81909511025E-10
  8.01703640706E-10  8.21998860969E-10  8.42807856972E-10  8.64143635000E-10
  8.86019530592E-10  9.08449216878E-10  9.31446713123E-10  9.55026393493E-10
  9.79202996034E-10  1.00399163189E-09  1.02940779474E-09  1.05546737049E-09
  1.08218664721E-09  1.10958232528E-09  1.13767152786E-09  1.16647181160E-09
  1.19600117757E-09  1.22627808257E-09  1.25732145060E-09  1.28915068476E-09
  1.32178567930E-09  1.35524683214E-09  1.38955505753E-09  1.42473179919E-09
  1.46079904368E-09  1.49777933417E-09  1.53569578447E-09  1.57457209357E-09
  1.61443256036E-09  1.65530209888E-09  1.69720625385E-09  1.74017121668E-09
  1.78422384179E-09  1.82939166344E-09  1.87570291292E-09  1.92318653619E-09
  1.97187221197E-09  2.02179037031E-09  2.07297221161E-09  2.12544972606E-09
  2.17925571375E-09  2.23442380504E-09  2.29098848169E-09  2.34898509834E-09
  2.40844990465E-09  2.46942006792E-09  2.53193369636E-09  2.59602986288E-09
  2.66174862952E-09  2.72913107250E-09  2.79821930786E-09  2.86905651784E-09
  2.94168697781E-09  3.01615608399E-09  3.09251038178E-09  3.17079759490E-09
  3.25106665519E-09  3.33336773318E-09  3.41775226949E-09  3.50427300693E-09
  3.59298402352E-09  3.68394076624E-09  3.77720008572E-09  3.87282027175E-09
  3.97086108973E-09  4.07138381802E-09  4.17445128623E-09  4.28012791449E-09
  4.38847975373E-09  4.49957452696E-09  4.61348167158E-09  4.73027238279E-09
  4.85001965809E-09  4.97279834292E-09  5.09868517739E-09  5.22775884430E-09
  5.36010001830E-09  5.49579141629E-09  5.63491784915E-09  5.77756627472E-09
  5.92382585218E-09  6.07378799774E-09  6.22754644183E-09  6.38519728760E-09
  6.54683907108E-09  6.71257282270E-09  6.88250213045E-09  7.05673320463E-09
  7.23537494423E-09  7.41853900501E-09  7.60633986925E-09  7.79889491732E-09
  7.99632450106E-09  8.19875201897E-09  8.40630399335E-09  8.61911014939E-09
  8.83730349622E-09  9.06102041006E-09  9.29040071945E-09  9.52558779265E-09
  9.76672862722E-09  1.00139739419E-08  1.02674782710E-08  1.05274000604E-08
  1.07939017674E-08  1.10671499617E-08  1.13473154295E-08  1.16345732805E-08
  1.19291030573E-08  1.22310888475E-08  1.25407193985E-08  1.28581882363E-08
  1.31836937854E-08  1.35174394936E-08  1.38596339589E-08  1.42104910595E-08
  1.45702300883E-08  1.49390758890E-08  1.53172589975E-08  1.57050157852E-08
  1.61025886074E-08  1.65102259543E-08  1.69281826065E-08  1.73567197941E-08
  1.77961053603E-08  1.82466139282E-08  1.87085270731E-08  1.91821334980E-08
  1.96677292142E-08  2.01656177263E-08  2.06761102218E-08  2.11995257658E-08
  2.17361915000E-08  2.22864428476E-08  2.28506237226E-08  2.34290867450E-08
  2.40221934607E-08  2.46303145681E-08  2.52538301493E-08  2.58931299077E-08
  2.65486134117E-08  2.72206903442E-08  2.79097807589E-08  2.86163153425E-08
  2.93407356840E-08  3.00834945507E-08  3.08450561711E-08  3.16258965250E-08
  3.24265036410E-08  3.32473779013E-08  3.40890323548E-08  3.49519930371E-08
  3.58367992998E-08  3.67440041473E-08  3.76741745823E-08  3.86278919603E-08
  3.96057523527E-08  4.06083669196E-08  4.16363622912E-08  4.26903809598E-08
  4.37710816812E-08  4.48791398862E-08  4.60152481029E-08  4.71801163889E-08
  4.83744727759E-08  4.95990637238E-08  5.08546545874E-08  5.21420300949E-08
  5.34619948378E-08  5.48153737739E-08  5.62030127428E-08  5.76257789942E-08
  5.90845617302E-08  6.05802726602E-08  6.21138465714E-08  6.36862419121E-08
  6.52984413911E-08  6.69514525913E-08  6.86463085997E-08  7.03840686524E-08
  7.21658187965E-08  7.39926725690E-08  7.58657716921E-08  7.77862867866E-08
  7.97554181033E-08  8.17743962731E-08  8.38444830753E-08  8.59669722264E-08
  8.81431901881E-08  9.03744969958E-08  9.26622871087E-08  9.50079902804E-08
  9.74130724525E-08  9.98790366702E-08  1.02407424021E-07  1.04999814598E-07
  1.07657828486E-07  1.10383126775E-07  1.13177412595E-07  1.16042432184E-07
  1.18979975974E-07  1.21991879714E-07  1.25080025612E-07  1.28246343516E-07
  1.31492812114E-07  1.34821460172E-07  1.38234367803E-07  1.41733667763E-07
  1.45321546785E-07  1.49000246944E-07  1.52772067057E-07  1.56639364120E-07
  1.60604554776E-07  1.64670116830E-07  1.68838590792E-07  1.73112581464E-07
  1.77494759568E-07  1.81987863412E-07  1.86594700601E-07  1.91318149790E-07
  1.96161162480E-07  2.01126764862E-07  2.06218059706E-07  2.11438228298E-07
  2.16790532427E-07  2.22278316418E-07  2.27905009225E-07  2.33674126567E-07
  2.39589273125E-07  2.45654144790E-07  2.51872530972E-07  2.58248316965E-07
  2.64785486369E-07  2.71488123580E-07  2.78360416337E-07  2.85406658337E-07
  2.92631251910E-07  3.00038710773E-07  3.07633662841E-07  3.15420853116E-07
  3.23405146650E-07  3.31591531576E-07  3.39985122223E-07  3.48591162307E-07
  3.57415028199E-07  3.66462232283E-07  3.75738426391E-07  3.85249405327E-07
  3.95001110488E-07  4.04999633560E-07  4.15251220325E-07  4.25762274550E-07
  4.36539361983E-07  4.47589214448E-07  4.58918734039E-07  4.70534997423E-07
  4.82445260254E-07  4.94656961695E-07  5.07177729054E-07  5.20015382538E-07
  5.33177940128E-07  5.46673622573E-07  5.60510858514E-07  5.74698289737E-07
  5.89244776556E-07  6.04159403331E-07  6.19451484129E-07  6.35130568525E-07
  6.51206447550E-07  6.67689159787E-07  6.84588997623E-07  7.01916513657E-07
  7.19682527271E-07  7.37898131364E-07  7.56574699258E-07  7.75723891776E-07
  7.95357664496E-07  8.15488275197E-07  8.36128291480E-07  8.57290598587E-07
  8.78988407419E-07  9.01235262750E-07  9.24045051652E-07  9.47432012127E-07
  9.71410741965E-07  9.95996207812E-07  1.02120375448E-06  1.04704911446E-06
  1.07354841775E-06  1.10071820181E-06  1.12857542189E-06  1.15713746152E-06
  1.18642214334E-06  1.21644774014E-06  1.24723298620E-06  1.27879708896E-06
  1.31115974089E-06  1.34434113172E-06  1.37836196098E-06  1.41324345085E-06
  1.44900735927E-06  1.48567599346E-06  1.52327222377E-06  1.56181949781E-06
  1.60134185500E-06  1.64186394145E-06  1.68341102524E-06  1.72600901205E-06
  1.76968446120E-06  1.81446460208E-06  1.86037735101E-06  1.90745132849E-06
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  8.58613719791E-01    Q_int
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</PP_NONLOCAL>


<PP_PSWFC>
3D    2  4.00          Wavefunction
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  2.52850816313E-07  2.09466947786E-07  1.73132541694E-07  1.42773991976E-07
  1.17469703212E-07  9.64305140520E-08  7.89823830977E-08  6.45511197355E-08
  5.26489598441E-08  4.28628033393E-08  3.48439472545E-08  2.82991645710E-08
  2.29829954488E-08  1.86163085134E-08  1.50390259038E-08  1.21163037408E-08
  9.73486244099E-09  7.79979951612E-09  6.23182941773E-09  4.96490018850E-09
  3.94414155453E-09  3.12410363871E-09  2.46724969491E-09  1.94267016179E-09
  1.52498892315E-09  1.19343594781E-09  9.31063479566E-10  7.24085669494E-10
  5.61324004516E-10  4.33743102078E-10  3.34063428132E-10  2.56439269778E-10
  1.96191871398E-10  1.49589039821E-10  1.13663755498E-10  8.60654078594E-11
  6.49382183252E-11  4.88222374996E-11  3.65730165944E-11  2.72966691840E-11
  2.02975689594E-11  1.50363824809E-11  1.10965223232E-11  8.15743394272E-12
  5.97340670686E-12  4.35683268439E-12  3.16503210211E-12  2.28992726570E-12
  1.64998199117E-12  1.18393539209E-12  8.45950866578E-13  6.01876490918E-13
  4.26374479980E-13  3.00727255586E-13  2.11167963491E-13  1.47615686370E-13
  1.02721536647E-13  7.11524724106E-14  4.90560565375E-14  3.36622983396E-14
  2.29888586923E-14  1.56238215314E-14  1.05663917816E-14  7.11064123009E-15
  4.76108724599E-15  3.17169331163E-15  2.10201551723E-15  1.38583649958E-15
  9.08846892271E-16  5.92847590384E-16  3.84626831622E-16  2.48170695603E-16
  1.59237615036E-16  1.01600195254E-16  6.44564253288E-17  4.06564432575E-17
  2.54948432375E-17  1.58928949982E-17  9.84801934354E-18  6.06536696261E-18
  3.71273768287E-18  2.25853443278E-18  1.36527544145E-18  8.20050072161E-19
  4.89386494652E-19  2.90148047031E-19  1.70886394895E-19  9.99721749384E-20
  5.80895224479E-20  3.35217142596E-20  1.92099683411E-20  1.09310250276E-20
  6.17575777613E-21  3.46398158903E-21  1.92875556129E-21  1.06599445119E-21
  5.84747227311E-22  3.18328630163E-22  1.71963328562E-22  9.21735653385E-23
  4.90167587825E-23  2.58587290703E-23  1.35316364961E-23  7.02311305764E-24
  3.61493305730E-24  1.84508606896E-24  9.33754501903E-25  4.68491650446E-25
  2.33011225019E-25  1.14870854927E-25  5.61244975982E-26
3D    2  5.00          Wavefunction
  1.25715806928E-14  1.30519658974E-14  1.35507075800E-14  1.40685071783E-14
  1.46060929335E-14  1.51642209140E-14  1.57436760793E-14  1.63452733837E-14
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  9.74026745726E-13  1.01124625271E-12  1.04988799137E-12  1.09000630802E-12
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  5.07173753215E-12  5.26553874840E-12  5.46674549593E-12  5.67564075485E-12
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  3.56476559680E-11  3.70098239967E-11  3.84240431798E-11  3.98923024955E-11
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  1.01868553154E-10  1.05761153444E-10  1.09802497729E-10  1.13998269811E-10
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  1.85616586550E-10  1.92709365471E-10  2.00073173539E-10  2.07718367314E-10
  2.15655699097E-10  2.23896332059E-10  2.32451855936E-10  2.41334303329E-10
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  3.38215419336E-10  3.51139301748E-10  3.64557031245E-10  3.78487478693E-10
  3.92950236050E-10  4.07965643922E-10  4.23554820166E-10  4.39739689596E-10
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  7.61808113877E-13  5.11062668902E-13  3.41170498177E-13  2.26639275588E-13
  1.49822544140E-13  9.85276959904E-14  6.44540663259E-14  4.19396242493E-14
  2.71426412335E-14  1.74704461099E-14  1.11828138173E-14  7.11810549023E-15
  4.50521397415E-15  2.83515309180E-15  1.77387067661E-15  1.10339074123E-15
  6.82310591036E-16  4.19443923666E-16  2.56339702747E-16  1.55757653064E-16
  9.41169786716E-17  5.65790046732E-17  3.38650161429E-17  2.02100185034E-17
  1.20553748230E-17  7.14349189952E-18  4.20455343071E-18  2.45794334511E-18
  1.42701738930E-18  8.22724311223E-19  4.70986929373E-19  2.67703561518E-19
  1.51060542086E-19  8.46174353931E-20  4.70479217888E-20  2.59628359434E-20
  1.42184984317E-20  7.72686928792E-21  4.16638504936E-21  2.22883799154E-21
  1.18281704348E-21  6.22633940904E-22  3.25072158677E-22  1.68311422210E-22
  8.64149203659E-23  4.39905240993E-23  2.22012867021E-23  1.11070448242E-23
  5.50772748593E-24  2.70677073413E-24  1.31821597369E-24  6.36103933987E-25
  3.04106516971E-25  1.44021919723E-25  6.75592991186E-26  3.13865187110E-26
  1.44394209609E-26  6.57735838202E-27  2.96615703936E-27  1.32410616647E-27
  5.85035131239E-28  2.55808689829E-28  1.10679166875E-28  4.73779238503E-29
  2.00626047031E-29  8.40312085055E-30  3.48077553337E-30  1.42571559562E-30
  5.77364204143E-31  2.31134463370E-31  9.14564832316E-32  3.57631266974E-32
  1.38185701523E-32  5.27511601384E-33  1.98918887344E-33  7.40846289840E-34
  2.72471086951E-34  9.89428126838E-35  3.54690877277E-35  1.25501025167E-35
  4.38232599398E-36  1.50990633703E-36  5.13227729322E-37  1.72072288654E-37
  5.68954428089E-38  1.85495687621E-38  5.96215211487E-39  1.88889287349E-39
  5.89749809075E-40  1.81428147855E-40  5.49840936446E-41  1.64128186710E-41
  4.82458644356E-42  1.39631663869E-42  3.97804470459E-43  1.11540166165E-43
  3.07738385438E-44  8.35280974397E-45  2.22994787659E-45  5.85433518869E-46
  1.51108750691E-46  3.83387598689E-47  9.55936428673E-48
</PP_RHOATOM>


<PP_ADDINFO>
3D  3  2  1.50  4.00
3D  3  2  2.50  5.00
4S  1  0  0.50  1.00
    0  0.50
    0  0.50
    1  0.50
    1  0.50
    1  1.50
    1  1.50
    2  1.50
    2  1.50
    2  2.50
    2  2.50
    -7.00000000   100.00000000    28.00000000     0.01250000
</PP_ADDINFO>