quantum-espresso-data 5.0-1 / usr / share / espresso / pseudo / Pt.rel-pbe-n-rrkjus.UPF

<PP_INFO>
Generated using "atomic" code by A. Dal Corso  (espresso distribution)     
Author: anonymous   Generation date:  2Sep2007                             
Pt                                                                         
    2        The Pseudo was generated with a Fully-Relativistic Calculation
    0 2.6000000E+00    L component and cutoff radius for Local Potential
nl pn  l   occ               Rcut            Rcut US             E pseu
5D  3  2  4.00      2.10000000000      2.40000000000     -0.64797028262
5D  3  2  0.00      2.10000000000      2.40000000000     -0.20000000000
5D  3  2  4.00      2.10000000000      2.40000000000     -0.54452487475
5D  3  2  0.00      2.10000000000      2.40000000000     -0.20000000000
6P  2  1  0.00      3.30000000000      3.30000000000     -0.11873242514
6P  2  1  0.00      3.40000000000      3.40000000000     -0.07447049527
6S  1  0  2.00      2.60000000000      2.60000000000     -0.47650100725
</PP_INFO>


<PP_HEADER>
   0                   Version Number
  Pt                   Element
   US                  Ultrasoft pseudopotential
    T                  Nonlinear Core Correction
 SLA  PW   PBX  PBC    PBE  Exchange-Correlation functional
   10.00000000000      Z valence
  -89.74702787920      Total energy
     27.476    227.928 Suggested cutoff for wfc and rho
    2                  Max angular momentum component
 1277                  Number of points in mesh
    3    6             Number of Wavefunctions, Number of Projectors
 Wavefunctions         nl  l   occ
                       5D  2  4.00
                       5D  2  4.00
                       6S  0  2.00
</PP_HEADER>


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  5D
  </PP_BETA>
  <PP_BETA>
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  5D
  </PP_BETA>
  <PP_BETA>
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  5D
  </PP_BETA>
  <PP_BETA>
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  5D
  </PP_BETA>
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  1.96675236792E-02  2.01641546665E-02  2.06732941105E-02  2.11952539557E-02
  2.17303570678E-02  2.22789323028E-02  2.28413133245E-02  2.34178527944E-02
  2.40088982837E-02  2.46148147775E-02  2.52359745099E-02  2.58727587853E-02
  2.65255573779E-02  2.71947690730E-02  2.78808065367E-02  2.85840870878E-02
  2.93050422222E-02  3.00441118562E-02  3.08017498609E-02  3.15784152096E-02
  3.23745849334E-02  3.31907444304E-02  3.40273892889E-02  3.48850320255E-02
  3.57641909403E-02  3.66654060811E-02  3.75892174448E-02  3.85361990983E-02
  3.95069099681E-02  4.05019538548E-02  4.15219231202E-02  4.25674409376E-02
  4.36391351634E-02  4.47376633739E-02  4.58636822841E-02  4.70178672640E-02
  4.82009226626E-02  4.94135612706E-02  5.06565067099E-02  5.19305062515E-02
  5.32363380528E-02  5.45747706453E-02  5.59466124505E-02  5.73526841180E-02
  5.87938349277E-02  6.02709049158E-02  6.17848051883E-02  6.33364135298E-02
  6.49266579293E-02  6.65564982215E-02  6.82268881546E-02  6.99388232450E-02
  7.16933173435E-02  7.34914023073E-02  7.53341529025E-02  7.72226435306E-02
  7.91579909984E-02  8.11413289876E-02  8.31738296781E-02  8.52566751743E-02
  8.73910899232E-02  8.95783112893E-02  9.18196267842E-02  9.41163324166E-02
  9.64697557704E-02  9.88812748135E-02  1.01352274549E-01  1.03884180274E-01
  1.06478453973E-01  1.09136583993E-01  1.11860099532E-01  1.14650548243E-01
  1.17509530899E-01  1.20438671061E-01  1.23439632392E-01  1.26514116299E-01
  1.29663856228E-01  1.32890628115E-01  1.36196241396E-01  1.39582552603E-01
  1.43051449728E-01  1.46604857985E-01  1.50244761376E-01  1.53973160595E-01
  1.57792117988E-01  1.61703729352E-01  1.65710134296E-01  1.69813519746E-01
  1.74016113512E-01  1.78320189306E-01  1.82728069138E-01  1.87242115762E-01
  1.91864744540E-01  1.96598414402E-01  2.01445630098E-01  2.06408952747E-01
  2.11490978845E-01  2.16694369578E-01  2.22021822813E-01  2.27476089055E-01
  2.33059977806E-01  2.38776334500E-01  2.44628067930E-01  2.50618128218E-01
  2.56749525179E-01  2.63025312236E-01  2.69448598058E-01  2.76022543325E-01
  2.82750354491E-01  2.89635296636E-01  2.96680680724E-01  3.03889865934E-01
  3.11266269539E-01  3.18813352040E-01  3.26534624673E-01  3.34433646122E-01
  3.42514028047E-01  3.50779420201E-01  3.59233526852E-01  3.67880092263E-01
  3.76722904012E-01  3.85765794638E-01  3.95012635328E-01  4.04467334741E-01
  4.14133842888E-01  4.24016139840E-01  4.34118241394E-01  4.44444192130E-01
  4.54998064704E-01  4.65783956675E-01  4.76805984742E-01  4.88068287906E-01
  4.99575014634E-01  5.11330328236E-01  5.23338394163E-01  5.35603383683E-01
  5.48129460950E-01  5.60920783502E-01  5.73981495926E-01  5.87315720324E-01
  6.00927554350E-01  6.14821061625E-01  6.29000265825E-01  6.43469142644E-01
  6.58231611843E-01  6.73291527635E-01  6.88652671501E-01  7.04318740585E-01
  7.20293338161E-01  7.36579963018E-01  7.53181998077E-01  7.70102697195E-01
  7.87345172769E-01  8.04912384931E-01  8.22807121651E-01  8.41031989107E-01
  8.59589393851E-01  8.78481524921E-01  8.97710339384E-01  9.17277542142E-01
  9.37184565107E-01  9.57432551785E-01  9.78022331305E-01  9.98954400771E-01
  1.02022889661E+00  1.04184557732E+00  1.06380379238E+00  1.08610245967E+00
  1.10874003587E+00  1.13171448961E+00  1.15502327148E+00  1.17866328092E+00
  1.20263083885E+00  1.22692164892E+00  1.25153076844E+00  1.27645256841E+00
  1.30168069864E+00  1.32720805145E+00  1.35302671759E+00  1.37912795196E+00
  1.40550212687E+00  1.43213869315E+00  1.45902613429E+00  1.48615192313E+00
  1.51350247602E+00  1.54106310580E+00  1.56881797682E+00  1.59675005412E+00
  1.62484105868E+00  1.65307141658E+00  1.68142021170E+00  1.70986513670E+00
  1.73838244457E+00  1.76694690211E+00  1.79553174096E+00  1.82410861384E+00
  1.85264754904E+00  1.88111690786E+00  1.90948334514E+00  1.93771177097E+00
  1.96576531668E+00  1.99360530420E+00  2.02119122019E+00  2.04848069496E+00
  2.07542948631E+00  2.10199147296E+00  2.12811865046E+00  2.15376114092E+00
  2.17886720774E+00  2.20338328303E+00  2.22725400627E+00  2.25042227489E+00
  2.27282930987E+00  2.29441473650E+00  2.31511668195E+00  2.33487189106E+00
  2.35361586369E+00  2.37128301120E+00  2.38780684035E+00  2.40312015874E+00
  2.41715531112E+00  2.42984444310E+00  2.44111979715E+00  2.45091404274E+00
  2.45916064078E+00  2.46579424818E+00  2.47075116000E+00  2.47396979532E+00
  2.47539122685E+00  2.47495975525E+00  2.47262353278E+00  2.46833523455E+00
  2.46205278014E+00  2.45374010775E+00  2.44336799737E+00  2.43091494828E+00
  2.41636810528E+00  2.39972423635E+00  2.38099075698E+00  2.36018679966E+00
  2.33734432483E+00  2.31250926674E+00  2.28574270910E+00  2.25712208340E+00
  2.22674237693E+00  2.19471734474E+00  2.16118070640E+00  2.12628731707E+00
  2.09021429245E+00  2.05316206739E+00  2.01535536791E+00  1.97704406736E+00
  1.93850390096E+00  1.90003700684E+00  1.86197225669E+00  1.82466534253E+00
  1.78849857460E+00  1.75388034988E+00  1.72124424496E+00  1.69104768231E+00
  1.66377012410E+00  1.63991073790E+00  1.61998548551E+00  1.60452358313E+00
  1.59406328107E+00  1.58914692069E+00  1.59031522244E+00  1.59810077274E+00
  1.61302068239E+00  1.63556839936E+00  1.66620467760E+00  1.70534771247E+00
  1.75336248094E+00  1.81054934267E+00  1.87713198414E+00  1.95324482461E+00
  2.03892002489E+00  2.13407428831E+00  2.23849567449E+00  2.35183069091E+00
  2.47357197485E+00  2.60304691503E+00  2.73940761580E+00  2.88162264251E+00
  3.02847102758E+00  3.17853905509E+00  3.33022035848E+00  3.48171989165E+00
  3.63106232916E+00  3.77610543815E+00  3.91455893729E+00  4.04400929282E+00
  4.16195082996E+00  4.26582342389E+00  4.35305689373E+00  4.42112205674E+00
  4.46758818667E+00  4.49018638780E+00  4.48687812043E+00  4.45592781000E+00
  4.39597814356E+00  4.30612629359E+00  4.18599893528E+00  4.03582352106E+00
  3.85649285920E+00  3.64961961665E+00  3.41757690639E+00  3.16352064799E+00
  2.89138886648E+00  2.60587251962E+00  2.31235178205E+00  2.01679093310E+00
  1.72558406560E+00  1.44534270366E+00  1.18261506423E+00  9.43525091833E-01
  7.33317528480E-01  5.55793178747E-01  4.12616238088E-01  3.02473141844E-01
  2.20059929363E-01  1.57298701694E-01  1.11639087044E-01  8.22094956279E-02
  6.79177328845E-02  6.74472565570E-02  7.92561830748E-02  1.01579421255E-01
  1.32434310087E-01  1.69630130022E-01  2.10781839435E-01  2.53328360866E-01
  2.94555702053E-01  3.31625146802E-01  3.61606681663E-01  3.81517742492E-01
  3.88367309791E-01  3.79204893835E-01  3.51177399431E-01  3.01562002608E-01
  2.28080232367E-01  1.26522118783E-01  1.45373050181E-02 -1.43677064937E-03
  1.47556125994E-04 -9.02120411457E-06  6.91376935955E-06  5.66311847810E-06
  6.03951900278E-06  6.18351565946E-06  6.28520444003E-06  6.33145346319E-06
  6.32940491556E-06
    3.40  3.40
  6P
  </PP_BETA>
  <PP_DIJ>
    8                  Number of nonzero Dij
    1    1 -2.76801641410E+00
    1    2 -4.81511968938E+00
    2    2 -8.53110063635E+00
    3    3 -2.60411026024E+00
    3    4 -3.35334485262E+00
    4    4 -4.33249127866E+00
    5    5  3.98477616209E-02
    6    6  5.26500399833E-02
  </PP_DIJ>
  <PP_QIJ>
    0     nqf. If not zero, Qij's inside rinner are computed using qfcoef's
    1    1    2        i  j  (l(j))
  3.64379416709E-01    Q_int
  1.06215238861E-29  1.14487722550E-29  1.23404501606E-29  1.33015756428E-29
  1.43375575671E-29  1.54542260638E-29  1.66578653382E-29  1.79552490355E-29
  1.93536783603E-29  2.08610231657E-29  2.24857662414E-29  2.42370510518E-29
  2.61247331927E-29  2.81594358542E-29  3.03526096048E-29  3.27165968307E-29
  3.52647011943E-29  3.80112625025E-29  4.09717374061E-29  4.41627863838E-29
  4.76023675014E-29  5.13098374737E-29  5.53060605966E-29  5.96135261642E-29
  6.42564750299E-29  6.92610360255E-29  7.46553730046E-29  8.04698433389E-29
  8.67371687579E-29  9.34926194953E-29  1.00774212777E-28  1.08622926769E-28
  1.17082931185E-28  1.26201835861E-28  1.36030958685E-28  1.46625614393E-28
  1.58045425865E-28  1.70354659657E-28  1.83622587670E-28  1.97923876990E-28
  2.13339010085E-28  2.29954737731E-28  2.47864567216E-28  2.67169288562E-28
  2.87977541738E-28  3.10406428043E-28  3.34582169113E-28  3.60640817247E-28
  3.88729021063E-28  4.19004850782E-28  4.51638687790E-28  4.86814183482E-28
  5.24729292787E-28  5.65597388184E-28  6.09648460488E-28  6.57130413152E-28
  7.08310457380E-28  7.63476615892E-28  8.22939343815E-28  8.87033275810E-28
  9.56119109271E-28  1.03058563421E-27  1.11085192120E-27  1.19736967980E-27
  1.29062580056E-27  1.39114509509E-27  1.49949324952E-27  1.61628000796E-27
  1.74216260390E-27  1.87784945893E-27  2.02410416944E-27  2.18174980388E-27
  2.35167353470E-27  2.53483163099E-27  2.73225484008E-27  2.94505418815E-27
  3.17442723275E-27  3.42166480215E-27  3.68815825968E-27  3.97540733385E-27
  4.28502855824E-27  4.61876436875E-27  4.97849290947E-27  5.36623860209E-27
  5.78418353871E-27  6.23467976180E-27  6.72026250066E-27  7.24366443877E-27
  7.80783109236E-27  8.41593738666E-27  9.07140552329E-27  9.77792423910E-27
  1.05394695651E-26  1.13603272021E-26  1.22451166391E-26  1.31988171499E-26
  1.42267958152E-26  1.53348377258E-26  1.65291785396E-26  1.78165395734E-26
  1.92041656280E-26  2.06998657595E-26  2.23120572255E-26  2.40498128547E-26
  2.59229121052E-26  2.79418961002E-26  3.01181269489E-26  3.24638516891E-26
  3.49922712085E-26  3.77176145348E-26  4.06552189116E-26  4.38216161103E-26
  4.72346254658E-26  5.09134541562E-26  5.48788052947E-26  5.91529944390E-26
  6.37600751746E-26  6.87259744804E-26  7.40786386361E-26  7.98481904934E-26
  8.60670989970E-26  9.27703619073E-26  9.99957027562E-26  1.07783783140E-25
  1.16178431550E-25  1.25226890022E-25  1.34980079996E-25  1.45492888887E-25
  1.56824478969E-25  1.69038620320E-25  1.82204049696E-25  1.96394857356E-25
  2.11690904017E-25  2.28178270279E-25  2.45949741059E-25  2.65105327744E-25
  2.85752831027E-25  3.08008447565E-25  3.31997423892E-25  3.57854761262E-25
  3.85725975389E-25  4.15767915352E-25  4.48149646289E-25  4.83053400833E-25
  5.20675604648E-25  5.61227981847E-25  6.04938746494E-25  6.52053886912E-25
  7.02838550016E-25  7.57578533461E-25  8.16581894012E-25  8.80180681172E-25
  9.48732805837E-25  1.02262405449E-24  1.10227026027E-24  1.18811964311E-24
  1.28065533220E-24  1.38039808480E-24  1.48790921695E-24  1.60379376228E-24
  1.72870387695E-24  1.86334250977E-24  2.00846735810E-24  2.16489513192E-24
  2.33350614999E-24  2.51524929392E-24  2.71114734817E-24  2.92230275590E-24
  3.14990382313E-24  3.39523140605E-24  3.65966611927E-24  3.94469610540E-24
  4.25192540976E-24  4.58308300736E-24  4.94003253300E-24  5.32478276906E-24
  5.73949895022E-24  6.18651494865E-24  6.66834640815E-24  7.18770490130E-24
  7.74751318921E-24  8.35092166973E-24  9.00132610680E-24  9.70238674052E-24
  1.04580488857E-23  1.12725651346E-23  1.21505192890E-23  1.30968521563E-23
  1.41168893543E-23  1.52163712821E-23  1.64014854250E-23  1.76789011751E-23
  1.90558073646E-23  2.05399527218E-23  2.21396894778E-23  2.38640203706E-23
  2.57226493084E-23  2.77260359801E-23  2.98854547187E-23  3.22130579489E-23
  3.47219445766E-23  3.74262337050E-23  4.03411440915E-23  4.34830797935E-23
  4.68697224844E-23  5.05201309596E-23  5.44548483927E-23  5.86960179448E-23
  6.32675073781E-23  6.81950433754E-23  7.35063563199E-23  7.92313363523E-23
  8.54022015813E-23  9.20536793957E-23  9.92232018971E-23  1.06951116555E-22
  1.15280913265E-22  1.24259469100E-22  1.33937312110E-22  1.44368905682E-22
  1.55612955034E-22  1.67732737593E-22  1.80796459093E-22  1.94877637413E-22
  2.10055516311E-22  2.26415511374E-22  2.44049690713E-22  2.63057293082E-22
  2.83545286363E-22  3.05628969538E-22  3.29432621553E-22  3.55090200712E-22
  3.82746098550E-22  4.12555952409E-22  4.44687521316E-22  4.79321630064E-22
  5.16653186831E-22  5.56892280052E-22  6.00265360718E-22  6.47016516766E-22
  6.97408846707E-22  7.51725940259E-22  8.10273474279E-22  8.73380933006E-22
  9.41403462276E-22  1.01472386815E-21  1.09375477123E-21  1.17894092868E-21
  1.27076173723E-21  1.36973393101E-21  1.47641448953E-21  1.59140377216E-21
  1.71534889678E-21  1.84894738146E-21  1.99295106988E-21  2.14817036241E-21
  2.31547877677E-21  2.49581786383E-21  2.69020250636E-21  2.89972663040E-21
  3.12556936147E-21  3.36900166027E-21  3.63139347518E-21  3.91422145183E-21
  4.21907724310E-21  4.54767646641E-21  4.90186835856E-21  5.28364618253E-21
  5.69515844491E-21  6.13872098683E-21  6.61683001672E-21  7.13217615805E-21
  7.68765959117E-21  8.28640637445E-21  8.93178603663E-21  9.62743053925E-21
  1.03772547160E-20  1.11854783042E-20  1.20566496914E-20  1.29956715126E-20
  1.40078282402E-20  1.50988159232E-20  1.62747742424E-20  1.75423210621E-20
  1.89085896736E-20  2.03812689379E-20  2.19686465566E-20  2.36796557116E-20
  2.55239253378E-20  2.75118343112E-20  2.96545698579E-20  3.19641905107E-20
  3.44536939711E-20  3.71370902552E-20  4.00294805365E-20  4.31471421307E-20
  4.65076200974E-20  5.01298259781E-20  5.40341442230E-20  5.82425469070E-20
  6.27787173810E-20  6.76681835526E-20  7.29384615479E-20  7.86192105622E-20
  8.47423997711E-20  9.13424882408E-20  9.84566188516E-20  1.06124827324E-19
  1.14390267525E-19  1.23299454321E-19  1.32902525349E-19  1.43253523172E-19
  1.54410699405E-19  1.66436842544E-19  1.79399631306E-19  1.93372015507E-19
  2.08432626593E-19  2.24666220149E-19  2.42164152873E-19  2.61024896697E-19
  2.81354592949E-19  3.03267649682E-19  3.26887385512E-19  3.52346723617E-19
  3.79788939774E-19  4.09368468664E-19  4.41251772973E-19  4.75618280179E-19
  5.12661392308E-19  5.52589574324E-19  5.95627527292E-19  6.42017452914E-19
  6.92020416548E-19  7.45917816386E-19  8.04012967058E-19  8.66632806573E-19
  9.34129736200E-19  1.00688360366E-18  1.08530384074E-18  1.16983176747E-18
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<PP_PSWFC>
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  4.02816849163E-01  4.12301107998E-01  4.21852570711E-01  4.31461461677E-01
  4.41117324499E-01  4.50809008077E-01  4.60524654596E-01  4.70251689661E-01
  4.79976814871E-01  4.89686003133E-01  4.99364497007E-01  5.08996810411E-01
  5.18566734037E-01  5.28057344792E-01  5.37451019651E-01  5.46729454274E-01
  5.55873686759E-01  5.64864126904E-01  5.73680591359E-01  5.82302345026E-01
  5.90708149081E-01  5.98876315955E-01  6.06784771613E-01  6.14411125427E-01
  6.21732747923E-01  6.28726856623E-01  6.35370610186E-01  6.41641210947E-01
  6.47516015945E-01  6.52972656399E-01  6.57989165533E-01  6.62544114546E-01
  6.66616756393E-01  6.70187176937E-01  6.73236452871E-01  6.75746815672E-01
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  6.79695457777E-01  6.78685559158E-01  6.77059224656E-01  6.74814154619E-01
  6.71950732261E-01  6.68472162639E-01  6.64384595425E-01  6.59697227961E-01
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  5.93594135498E-01  5.84099375691E-01  5.74304752903E-01  5.64251318265E-01
  5.53980839133E-01  5.43535198467E-01  5.32955721272E-01  5.22282428770E-01
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  3.86275822323E-01  3.76378789761E-01  3.66588035602E-01  3.56907769446E-01
  3.47341978704E-01  3.37894433148E-01  3.28569678075E-01  3.19370085726E-01
  3.10298800583E-01  3.01358767112E-01  2.92552733877E-01  2.83883257506E-01
  2.75352706496E-01  2.66963264828E-01  2.58716935391E-01  2.50615543202E-01
  2.42660738398E-01  2.34853999025E-01  2.27196633601E-01  2.19689783472E-01
  2.12334424977E-01  2.05131371429E-01  1.98081274955E-01  1.91184628217E-01
  1.84441766060E-01  1.77852867124E-01  1.71417955478E-01  1.65136902320E-01
  1.59009427811E-01  1.53035103073E-01  1.47213352427E-01  1.41543455903E-01
  1.36024552078E-01  1.30655641264E-01  1.25435589081E-01  1.20363130443E-01
  1.15436873946E-01  1.10655306675E-01  1.06016799414E-01  1.01519612232E-01
  9.71619004300E-02  9.29417207981E-02  8.88570381477E-02  8.49057320667E-02
  8.10856038454E-02  7.73943835139E-02  7.38297369365E-02  7.03892729018E-02
  6.70705501523E-02  6.38710842973E-02  6.07883545572E-02  5.78198102897E-02
  5.49628772552E-02  5.22149635821E-02  4.95734654005E-02  4.70357721183E-02
  4.45992713212E-02  4.22613532847E-02  4.00194150935E-02  3.78708643703E-02
  3.58131226236E-02  3.38436282291E-02  3.19598390649E-02  3.01592348267E-02
  2.84393190512E-02  2.67976208800E-02  2.52316965983E-02  2.37391309818E-02
  2.23175384860E-02  2.09645643113E-02  1.96778853742E-02  1.84552112117E-02
  1.72942848435E-02  1.61928836120E-02  1.51488200171E-02  1.41599425557E-02
  1.32241365762E-02  1.23393251493E-02  1.15034699584E-02  1.07145722039E-02
  9.97067351783E-03  9.26985688052E-03  8.61024753049E-03  7.99001385642E-03
  7.40736826076E-03  6.86056798334E-03  6.34791587388E-03  5.86776110255E-03
  5.41849979871E-03  4.99857560864E-03  4.60648016445E-03  4.24075345734E-03
  3.89998410987E-03  3.58280954322E-03  3.28791603654E-03  3.01403867699E-03
  2.75996120038E-03  2.52451572302E-03  2.30658236705E-03  2.10508878213E-03
  1.91900956724E-03  1.74736559726E-03  1.58922325949E-03  1.44369360600E-03
  1.30993142787E-03  1.18713425797E-03  1.07454130910E-03  9.71432354291E-04
  8.77126556537E-04  7.90981254777E-04  7.12390713237E-04  6.40784840944E-04
  5.75627888092E-04  5.16417125739E-04  4.62681515029E-04  4.13980371859E-04
  3.69902032587E-04  3.30062526039E-04  2.94104256704E-04  2.61694703680E-04
  2.32525139483E-04  2.06309372548E-04  1.82782516779E-04  1.61699791206E-04
  1.42835352381E-04  1.25981161823E-04  1.10945890460E-04  9.75538616690E-05
  8.56440342023E-05  7.50690259988E-05  6.56941795525E-05  5.73966692723E-05
  5.00646509973E-05  4.35964536000E-05  3.78998123957E-05  3.28911438774E-05
  2.84948611169E-05  2.46427290113E-05  2.12732583961E-05  1.83311380230E-05
  1.57667725248E-05  1.35363350040E-05  1.15999482183E-05  9.92195479127E-06
  8.47059890671E-06  7.21765279566E-06  6.13807276330E-06  5.20968308095E-06
  4.41288609884E-06  3.73039697070E-06  3.14700142449E-06  2.64933505804E-06
  2.22568268930E-06  1.86579634455E-06  1.56073052433E-06  1.30269344563E-06
  1.08491301916E-06  9.01516382557E-07  7.47421872295E-07  6.18242379640E-07
  5.10199098408E-07  4.20044733655E-07  3.44995301126E-07  2.82669706500E-07
  2.31036351120E-07  1.88366066621E-07  1.53190734611E-07  1.24266998971E-07
  1.00544527426E-07  8.11383256411E-08  6.53046511361E-08  5.24201157691E-08
  4.19636044073E-08  3.35006736718E-08  2.66701283621E-08  2.11725043842E-08
  1.67602157951E-08  1.32291500179E-08  1.04115194744E-08  8.16979992988E-09
  6.39160586302E-09  4.98537127554E-09  3.87672066953E-09  3.00542956234E-09
  2.32288700761E-09  1.78998426727E-09  1.37536415630E-09  1.05397477874E-09
  8.05879510234E-10  6.15282274909E-10  4.69733533313E-10  3.57387451761E-10
  2.70968395412E-10  2.04724763326E-10  1.54125702643E-10  1.15614692481E-10
  8.64100631930E-11  6.43441062943E-11  4.77337933744E-11  3.52772859042E-11
  2.59714070192E-11  1.90460836012E-11  1.39124725568E-11  1.01220772268E-11
  7.33465443986E-12  5.29312406757E-12  3.80403353250E-12  2.72241047217E-12
  1.94006713855E-12  1.37660829498E-12  9.72547382614E-13  6.84059565545E-13
  4.79000022719E-13  3.33895838797E-13  2.31683671487E-13  1.60016059725E-13
  1.09999295749E-13  7.52572887327E-14  5.12405027850E-14  3.47182511824E-14
  2.34075039283E-14  1.57028325934E-14  1.04809105529E-14  6.95969630102E-15
  4.59751989349E-15  3.02113714444E-15  1.97470325779E-15  1.28377391020E-15
  8.30043597766E-16  5.33714378900E-16  3.41257458260E-16  2.16965098345E-16
  1.37151614316E-16  8.61953312845E-17  5.38525650034E-17  3.34454106592E-17
  2.06462610078E-17  1.26674114660E-17  7.72400155746E-18  4.68026932111E-18
  2.81798666989E-18  1.68582220744E-18  1.00196849327E-18  5.91602620579E-19
  3.46979377551E-19  2.02133435553E-19  1.16948991264E-19  6.71956370803E-20
  3.83383941363E-20  2.17188338343E-20  1.22154605062E-20  6.82047256483E-21
  3.78016188956E-21  2.07949160391E-21  1.13530827229E-21  6.15090187767E-22
  3.30666460797E-22  1.76370239675E-22  9.33256875016E-23  4.89862517236E-23
  2.55035230462E-23  1.31684416765E-23  6.74266451356E-24  3.42330687248E-24
  1.72318062741E-24  8.59883194390E-25  4.25328231068E-25  2.08514786193E-25
  1.01304469159E-25  4.87696954842E-26  2.32622191376E-26  1.09921144723E-26
  5.14504347249E-27  2.38518803432E-27  1.09503845608E-27  4.97801320824E-28
  2.24051946668E-28  9.98280998093E-29  4.40263832655E-29  1.92164588386E-29
  8.29998244344E-30  3.54704794049E-30  1.49963269289E-30  6.27150617579E-31
  2.59399024657E-31  1.06099667210E-31  4.29089427017E-32  1.71556768414E-32
  6.78002847668E-33  2.64822801379E-33  1.02215136073E-33  3.89803738802E-34
  0.00000000000E+00
5D    2  4.00          Wavefunction
  1.13221671571E-15  1.17548097755E-15  1.22039845323E-15  1.26703231537E-15
  1.31544815052E-15  1.36571405142E-15  1.41790071279E-15  1.47208153072E-15
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  2.06303336444E-15  2.14186598942E-15  2.22371096644E-15  2.30868340349E-15
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  3.23548036615E-15  3.35911453262E-15  3.48747300750E-15  3.62073631607E-15
  3.75909188179E-15  3.90273429000E-15  4.05186556150E-15  4.20669543673E-15
  4.36744167070E-15  4.53433033931E-15  4.70759615724E-15  4.88748280812E-15
  5.07424328718E-15  5.26814025713E-15  5.46944641755E-15  5.67844488839E-15
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  7.55033790739E-14  7.83885139771E-14  8.13838956469E-14  8.44937368324E-14
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  1.85708346162E-13  1.92804632945E-13  2.00172083017E-13  2.07821058070E-13
  2.15762315735E-13  2.24007024714E-13  2.32566780488E-13  2.41453621625E-13
  2.50680046708E-13  2.60259031920E-13  2.70204049286E-13  2.80529085626E-13
  2.91248662223E-13  3.02377855250E-13  3.13932316967E-13  3.25928297741E-13
  3.38382668896E-13  3.51312946445E-13  3.64737315721E-13  3.78674656954E-13
  3.93144571830E-13  4.08167411048E-13  4.23764302954E-13  4.39957183246E-13
  4.56768825831E-13  4.74222874851E-13  4.92343877940E-13  5.11157320743E-13
  5.30689662766E-13  5.50968374582E-13  5.72021976473E-13  5.93880078534E-13
  6.16573422325E-13  6.40133924099E-13  6.64594719694E-13  6.89990211135E-13
  7.16356115017E-13  7.43729512736E-13  7.72148902644E-13  8.01654254192E-13
  8.32287064140E-13  8.64090414927E-13  8.97109035255E-13  9.31389363000E-13
  9.66979610521E-13  1.00392983247E-12  1.04229199618E-12  1.08212005477E-12
  1.12347002301E-12  1.16640005610E-12  1.21097053149E-12  1.25724413373E-12
  1.30528594272E-12  1.35516352516E-12  1.40694702961E-12  1.46070928517E-12
  1.51652590387E-12  1.57447538702E-12  1.63463923563E-12  1.69710206503E-12
  1.76195172386E-12  1.82927941764E-12  1.89917983704E-12  1.97175129102E-12
  2.04709584517E-12  2.12531946517E-12  2.20653216587E-12  2.29084816603E-12
  2.37838604889E-12  2.46926892904E-12  2.56362462550E-12  2.66158584150E-12
  2.76329035116E-12  2.86888119320E-12  2.97850687212E-12  3.09232156710E-12
  3.21048534882E-12  3.33316440455E-12  3.46053127192E-12  3.59276508158E-12
  3.73005180911E-12  3.87258453657E-12  4.02056372411E-12  4.17419749183E-12
  4.33370191253E-12  4.49930131556E-12  4.67122860238E-12  4.84972557405E-12
  5.03504327135E-12  5.22744232779E-12  5.42719333627E-12  5.63457722952E-12
  5.84988567532E-12  6.07342148663E-12  6.30549904750E-12  6.54644475523E-12
  6.79659747941E-12  7.05630903850E-12  7.32594469466E-12  7.60588366744E-12
  7.89651966714E-12  8.19826144848E-12  8.51153338554E-12  8.83677606858E-12
  9.17444692369E-12  9.52502085611E-12  9.88899091816E-12  1.02668690027E-11
  1.06591865630E-11  1.10664953602E-11  1.14893682394E-11  1.19283999352E-11
  1.23842079083E-11  1.28574332136E-11  1.33487414022E-11  1.38588234570E-11
  1.43883967649E-11  1.49382061257E-11  1.55090247992E-11  1.61016555932E-11
  1.67169319923E-11  1.73557193302E-11  1.80189160067E-11  1.87074547514E-11
  1.94223039352E-11  2.01644689325E-11  2.09349935348E-11  2.17349614194E-11
  2.25654976726E-11  2.34277703728E-11  2.43229922328E-11  2.52524223058E-11
  2.62173677557E-11  2.72191856959E-11  2.82592850976E-11  2.93391287718E-11
  3.04602354264E-11  3.16241818020E-11  3.28326048898E-11  3.40872042335E-11
  3.53897443198E-11  3.67420570599E-11  3.81460443663E-11  3.96036808268E-11
  4.11170164826E-11  4.26881797108E-11  4.43193802180E-11  4.60129121484E-11
  4.77711573096E-11  4.95965885230E-11  5.14917731014E-11  5.34593764597E-11
  5.55021658637E-11  5.76230143217E-11  5.98249046255E-11  6.21109335454E-11
  6.44843161851E-11  6.69483905043E-11  6.95066220122E-11  7.21626086423E-11
  7.49200858123E-11  7.77829316775E-11  8.07551725853E-11  8.38409887377E-11
  8.70447200705E-11  9.03708723572E-11  9.38241235458E-11  9.74093303377E-11
  1.01131535019E-10  1.04995972551E-10  1.09008077933E-10  1.13173493847E-10
  1.17498078594E-10  1.21987914330E-10  1.26649315623E-10  1.31488838334E-10
  1.36513288836E-10  1.41729733587E-10  1.47145509068E-10  1.52768232101E-10
  1.58605810563E-10  1.64666454506E-10  1.70958687704E-10  1.77491359641E-10
  1.84273657959E-10  1.91315121375E-10  1.98625653102E-10  2.06215534773E-10
  2.14095440901E-10  2.22276453897E-10  2.30770079648E-10  2.39588263708E-10
  2.48743408091E-10  2.58248388717E-10  2.68116573522E-10  2.78361841254E-10
  2.88998600999E-10  3.00041812438E-10  3.11507006894E-10  3.23410309172E-10
  3.35768460236E-10  3.48598840756E-10  3.61919495551E-10  3.75749158969E-10
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<PP_ADDINFO>
5D  3  2  1.50  4.00
5D  3  2  2.50  4.00
6S  1  0  0.50  2.00
    2  1.50
    2  1.50
    2  2.50
    2  2.50
    1  0.50
    1  1.50
    -7.00000000   100.00000000    78.00000000     0.01250000
</PP_ADDINFO>