quantum-espresso-data 5.0.2-5build1 / usr / share / espresso / pseudo / Cu.pz-d-rrkjus.UPF

<PP_INFO>
Generated using Andrea Dal Corso code (rrkj3)
Author: Andrea Dal Corso   Generation date: unknown
Info:   CU LDA 3d10 4s1 RRKJ3 US
    0        The Pseudo was generated with a Non-Relativistic Calculation
  2.80000000000E+00    Local Potential cutoff radius
nl pn  l   occ               Rcut            Rcut US             E pseu
3D  3  2 10.00      1.80000000000      2.50000000000      0.00000000000
3D  3  2  0.00      1.80000000000      2.50000000000      0.00000000000
4P  2  1 -1.00      2.80000000000      2.80000000000      0.00000000000
4S  1  0  1.00      2.80000000000      2.80000000000      0.00000000000
</PP_INFO>


<PP_HEADER>
   0                   Version Number
  Cu                   Element
   US                  Ultrasoft pseudopotential
    F                  Nonlinear Core Correction
 SLA  PZ   NOGX NOGC   PZ   Exchange-Correlation functional
   11.00000000000      Z valence
  -87.51026251800      Total energy
  0.0000000  0.0000000 Suggested cutoff for wfc and rho
    2                  Max angular momentum component
  899                  Number of points in mesh
    2    3             Number of Wavefunctions, Number of Projectors
 Wavefunctions         nl  l   occ
                       3D  2 10.00
                       4S  0  1.00
</PP_HEADER>


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 -4.17975379319E-03 -4.30702300315E-03 -4.43816643181E-03 -4.57330261852E-03
 -4.71255253106E-03 -4.85604165689E-03 -5.00389874496E-03 -5.15625708096E-03
 -5.31325314628E-03 -5.47502866960E-03 -5.64172847634E-03 -5.81350257164E-03
 -5.99050578704E-03 -6.17289614833E-03 -6.36083909586E-03 -6.55450188871E-03
 -6.75406001280E-03 -6.95969165870E-03 -7.17158240353E-03 -7.38992178685E-03
 -7.61490713083E-03 -7.84673947125E-03 -8.08562752345E-03 -8.33178605186E-03
 -8.58543583643E-03 -8.84680493483E-03 -9.11612787830E-03 -9.39364646057E-03
 -9.67961052076E-03 -9.97427602298E-03 -1.02779081201E-02 -1.05907789569E-02
 -1.09131700604E-02 -1.12453697927E-02 -1.15876775385E-02 -1.19403995189E-02
 -1.23038533438E-02 -1.26783636003E-02 -1.30642678225E-02 -1.34619117605E-02
 -1.38716516234E-02 -1.42938556066E-02 -1.47289024979E-02 -1.51771814345E-02
 -1.56390953707E-02 -1.61150583745E-02 -1.66054967716E-02 -1.71108503994E-02
 -1.76315721891E-02 -1.81681288709E-02 -1.87210012929E-02 -1.92906841568E-02
 -1.98776889201E-02 -2.04825403695E-02 -2.11057806847E-02 -2.17479678787E-02
 -2.24096764710E-02 -2.30914994081E-02 -2.37940465480E-02 -2.45179466187E-02
 -2.52638472639E-02 -2.60324156980E-02 -2.68243389868E-02 -2.76403259090E-02
 -2.84811053154E-02 -2.93474290687E-02 -3.02400709304E-02 -3.11598288003E-02
 -3.21075240896E-02 -3.30840027623E-02 -3.40901372489E-02 -3.51268244262E-02
 -3.61949931924E-02 -3.72955854837E-02 -3.84295988911E-02 -3.95980355878E-02
 -4.08019354953E-02 -4.20423727947E-02 -4.33204496068E-02 -4.46373222556E-02
 -4.59941329712E-02 -4.73921120512E-02 -4.88324980382E-02 -5.03165676473E-02
 -5.18456355256E-02 -5.34210796740E-02 -5.50442801494E-02 -5.67166843096E-02
 -5.84397813359E-02 -6.02150991155E-02 -6.20441937884E-02 -6.39287228412E-02
 -6.58703222930E-02 -6.78707243735E-02 -6.99317022840E-02 -7.20550778971E-02
 -7.42427277292E-02 -7.64965771185E-02 -7.88186348115E-02 -8.12109310494E-02
 -8.36755918322E-02 -8.62147775471E-02 -8.88307351648E-02 -9.15257618839E-02
 -9.43022333306E-02 -9.71625845554E-02 -1.00109336725E-01 -1.03145073643E-01
 -1.06272452256E-01 -1.09494229515E-01 -1.12813210865E-01 -1.16232311303E-01
 -1.19754516418E-01 -1.23382907586E-01 -1.27120646025E-01 -1.30970995890E-01
 -1.34937310112E-01 -1.39023040177E-01 -1.43231739633E-01 -1.47567061561E-01
 -1.52032770614E-01 -1.56632732529E-01 -1.61370930412E-01 -1.66251461185E-01
 -1.71278540777E-01 -1.76456497054E-01 -1.81789795979E-01 -1.87283022130E-01
 -1.92940892975E-01 -1.98768258653E-01 -2.04770112193E-01 -2.10951581354E-01
 -2.17317943328E-01 -2.23874626828E-01 -2.30627203750E-01 -2.37581413809E-01
 -2.44743147940E-01 -2.52118469103E-01 -2.59713602950E-01 -2.67534953582E-01
 -2.75589095761E-01 -2.83882792737E-01 -2.92422989460E-01 -3.01216819039E-01
 -3.10271618433E-01 -3.19594910953E-01 -3.29194438098E-01 -3.39078137827E-01
 -3.49254170665E-01 -3.59730909093E-01 -3.70516954574E-01 -3.81621132752E-01
 -3.93052501744E-01 -4.04820364018E-01 -4.16934255365E-01 -4.29403969172E-01
 -4.42239551771E-01 -4.55451281600E-01 -4.69049757647E-01 -4.83045796944E-01
 -4.97450484313E-01 -5.12275241290E-01 -5.27531709649E-01 -5.43231846159E-01
 -5.59387923891E-01 -5.76012458765E-01 -5.93118334631E-01 -6.10718663510E-01
 -6.28826960259E-01 -6.47456986656E-01 -6.66622866710E-01 -6.86338976366E-01
 -7.06620175716E-01 -7.27481443756E-01 -7.48938294276E-01 -7.71006430390E-01
 -7.93702001173E-01 -8.17041422067E-01 -8.41041527106E-01 -8.65719422460E-01
 -8.91092623530E-01 -9.17178959031E-01 -9.43996645323E-01 -9.71564196461E-01
 -9.99900538617E-01 -1.02902487633E+00 -1.05895684661E+00 -1.08971634425E+00
 -1.12132366136E+00 -1.15379942679E+00 -1.18716453199E+00 -1.22144032341E+00
 -1.25664832912E+00 -1.29281047310E+00 -1.32994897243E+00 -1.36808629813E+00
 -1.40724524911E+00 -1.44744886715E+00 -1.48872043819E+00 -1.53108352764E+00
 -1.57456188234E+00 -1.61917946948E+00 -1.66496043386E+00 -1.71192910758E+00
 -1.76010990757E+00 -1.80952741377E+00 -1.86020626314E+00 -1.91217115132E+00
 -1.96544679163E+00 -2.02005789060E+00 -2.07602910156E+00 -2.13338497398E+00
 -2.19214994922E+00 -2.25234827709E+00 -2.31400396150E+00 -2.37714076809E+00
 -2.44178210639E+00 -2.50795099987E+00 -2.57567002097E+00 -2.64496124667E+00
 -2.71584614875E+00 -2.78834556938E+00 -2.86247961327E+00 -2.93826758548E+00
 -3.01572791174E+00 -3.09487802556E+00 -3.17573434054E+00 -3.25831206899E+00
 -3.34262520218E+00 -3.42868637441E+00 -3.51650675176E+00 -3.60609593249E+00
 -3.69746184926E+00 -3.79061061257E+00 -3.88554642566E+00 -3.98227144023E+00
 -4.08078563198E+00 -4.18108667343E+00 -4.28316977689E+00 -4.38702758700E+00
 -4.49265000490E+00 -4.60002406439E+00 -4.70913377156E+00 -4.81995995654E+00
 -4.93248012172E+00 -5.04666827958E+00 -5.16249480122E+00 -5.27992625660E+00
 -5.39892524894E+00 -5.51945026555E+00 -5.64145550892E+00 -5.76489073859E+00
 -5.88970112266E+00 -6.01582706568E+00 -6.14320407199E+00 -6.27176258358E+00
 -6.40142783852E+00 -6.53211972658E+00 -6.66375265626E+00 -6.79623542318E+00
 -6.92947108248E+00 -7.06335683827E+00 -7.19778393587E+00 -7.33263756566E+00
 -7.46779677128E+00 -7.60313438184E+00 -7.73851694606E+00 -7.87380468415E+00
 -8.00885144899E+00 -8.14350471816E+00 -8.27760558062E+00 -8.41098875585E+00
 -8.54348262722E+00 -8.67490929608E+00 -8.80508465149E+00 -8.93381846751E+00
 -9.06091451667E+00 -9.18617070987E+00 -9.30937926127E+00 -9.43032687113E+00
 -9.54879494138E+00 -9.66455981161E+00 -9.77739302397E+00 -9.88706161451E+00
 -9.99332843007E+00 -1.00959524767E+01 -1.01946892890E+01 -1.02892913391E+01
 -1.03795084605E+01 -1.04650883105E+01 -1.05457768577E+01 -1.06213188959E+01
 -1.06914585886E+01 -1.07559400427E+01 -1.08145079032E+01 -1.08669079848E+01
 -1.09128879213E+01 -1.09521978443E+01 -1.09845910906E+01 -1.10098249259E+01
 -1.10276613005E+01 -1.10378676218E+01 -1.10402175507E+01 -1.10344918178E+01
 -1.10204790581E+01 -1.09979766635E+01 -1.09667916526E+01 -1.09267415514E+01
 -1.08776552911E+01 -1.08193741133E+01 -1.07517524848E+01 -1.06746590211E+01
 -1.05879774085E+01 -1.04916073359E+01 -1.03854654173E+01 -1.02694861164E+01
 -1.01436226612E+01 -1.00078479485E+01 -9.86215543392E+00 -9.70656000666E+00
 -9.54109883582E+00 -9.36583219827E+00 -9.18084426696E+00 -8.98624386920E+00
 -8.78216519697E+00 -8.56876847390E+00 -8.34624056474E+00 -8.11479552549E+00
 -7.87467508367E+00 -7.62614904675E+00 -7.36951562228E+00 -7.10510165112E+00
 -6.83326273901E+00 -6.55438327789E+00 -6.26887635328E+00 -5.97718352084E+00
 -5.67977444887E+00 -5.37714641386E+00 -5.06982364113E+00 -4.75835648030E+00
 -4.44332040669E+00 -4.12531484134E+00 -3.80496177990E+00 -3.48290422215E+00
 -3.15980440094E+00 -2.83634179729E+00 -2.51321094741E+00 -2.19111903178E+00
 -1.87078325143E+00 -1.55292799235E+00 -1.23828178529E+00 -9.27574066158E-01
 -6.21531752943E-01 -3.20875654454E-01 -2.63167297843E-02  2.61447775219E-01
  5.41738283285E-01  8.13896896997E-01  1.07729142903E+00  1.33131939497E+00
  1.57541192471E+00  1.80903752740E+00  2.03170564507E+00  2.24296992445E+00
  2.44243113117E+00  2.62973962511E+00  2.80459730931E+00  2.96675897519E+00
  3.11603294737E+00  3.25228095014E+00  3.37541711776E+00  3.48540607138E+00
  3.58226000966E+00  3.66603477020E+00  3.73682483784E+00  3.79475731324E+00
  3.83998488121E+00  3.87267786441E+00  3.89301549649E+00  3.90117660740E+00
  3.89732998111E+00  3.88162471374E+00  3.85418099176E+00  3.81508179414E+00
  3.76436610732E+00  3.70202435129E+00  3.62799679224E+00  3.54217581200E+00
  3.44441296341E+00  3.33453180324E+00  3.21234748750E+00  3.07769410332E+00
  2.93046060785E+00  2.77063608871E+00  2.59836480671E+00  2.41401113216E+00
  2.21823400889E+00  2.01206999392E+00  1.79702319640E+00  1.57515959693E+00
  1.34920229613E+00  1.12262323163E+00  8.99725865782E-01  6.85712580443E-01
  4.86728147776E-01  3.09882726004E-01  1.63158561644E-01  5.58357104335E-02
 -4.75606939738E-03  3.94613397744E-04 -3.14318060406E-05  2.34737256170E-06
 -1.55809273046E-07  7.77638310396E-09 -4.37545411422E-11 -1.23175840856E-10
  9.84181154483E-11 -2.83626676061E-11 -1.62729368792E-11
  </PP_BETA>
  <PP_DIJ>
    4                  Number of nonzero Dij
    1    1 -2.16044703699E+00
    1    2 -2.88822367698E+00
    2    2 -3.86275265169E+00
    3    3  1.00699958908E-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))
  7.95928001607E-01    Q_int
  3.10286651040E-22  3.39507673445E-22  3.71480564616E-22  4.06464479809E-22
  4.44742980044E-22  4.86626330492E-22  5.32454015323E-22  5.82597489384E-22
  6.37463189015E-22  6.97495826401E-22  7.63181994179E-22  8.35054109494E-22
  9.13694729492E-22  9.99741273214E-22  1.09389118818E-21  1.19690760352E-21
  1.30962551551E-21  1.43295855559E-21  1.56790639576E-21  1.71556285143E-21
  1.87712474727E-21  2.05390161806E-21  2.24732632304E-21  2.45896665996E-21
  2.69053807276E-21  2.94391755608E-21  3.22115886915E-21  3.52450918251E-21
  3.85642729232E-21  4.21960355009E-21  4.61698166923E-21  5.05178258520E-21
  5.52753056272E-21  6.04808176157E-21  6.61765549255E-21  7.24086841698E-21
  7.92277196690E-21  8.66889328923E-21  9.48528004594E-21  1.03785494331E-20
  1.13559418165E-20  1.24253794178E-20  1.35955305284E-20  1.48758797694E-20
  1.62768049693E-20  1.78096612809E-20  1.94868732201E-20  2.13220353726E-20
  2.33300225840E-20  2.55271105277E-20  2.79311076263E-20  3.05614993978E-20
  3.34396063943E-20  3.65887570150E-20  4.00344765939E-20  4.38046942944E-20
  4.79299694882E-20  5.24437394528E-20  5.73825903967E-20  6.27865540072E-20
  6.86994319259E-20  7.51691507813E-20  8.22481506561E-20  8.99938101388E-20
  9.84689114031E-20  1.07742149087E-19  1.17888687094E-19  1.28990767833E-19
  1.41138378827E-19  1.54429982109E-19  1.68973312297E-19  1.84886249836E-19
  2.02297776473E-19  2.21349020711E-19  2.42194401726E-19  2.65002880997E-19
  2.89959331825E-19  3.17266037810E-19  3.47144332457E-19  3.79836393181E-19
  4.15607204271E-19  4.54746704705E-19  4.97572138240E-19  5.44430624816E-19
  5.95701974127E-19  6.51801764147E-19  7.13184709578E-19  7.80348347527E-19
  8.53837070265E-19  9.34246537776E-19  1.02222850585E-18  1.11849610887E-18
  1.22382964008E-18  1.33908287621E-18  1.46518999773E-18  1.60317316083E-18
  1.75415078240E-18  1.91934660538E-18  2.10009961766E-18  2.29787490528E-18
  2.51427552753E-18  2.75105551049E-18  3.01013406422E-18  3.29361113880E-18
  3.60378444536E-18  3.94316808009E-18  4.31451290205E-18  4.72082883017E-18
  5.16540923996E-18  5.65185765774E-18  6.18411696891E-18  6.76650137671E-18
  7.40373137073E-18  8.10097198865E-18  8.86387468105E-18  9.69862311894E-18
  1.06119833151E-17  1.16113584657E-17  1.27048489563E-17  1.39013180188E-17
  1.52104635724E-17  1.66428968288E-17  1.82102283010E-17  1.99251619115E-17
  2.18015979629E-17  2.38547458059E-17  2.61012471177E-17  2.85593107898E-17
  3.12488605187E-17  3.41916962961E-17  3.74116711068E-17  4.09348842676E-17
  4.47898929727E-17  4.90079437621E-17  5.36232257878E-17  5.86731479307E-17
  6.41986420153E-17  7.02444945792E-17  7.68597098860E-17  8.40979071250E-17
  9.20177550164E-17  1.00683447345E-16  1.10165223278E-16  1.20539936678E-16
  1.31891679038E-16  1.44312461075E-16  1.57902958512E-16  1.72773328095E-16
  1.89044100458E-16  2.06847157067E-16  2.26326799172E-16  2.47640917423E-16
  2.70962271636E-16  2.96479891073E-16  3.24400606596E-16  3.54950727107E-16
  3.88377873868E-16  4.24952987559E-16  4.64972524348E-16  5.08760858781E-16
  5.56672912944E-16  6.09097033241E-16  6.66458138067E-16  7.29221161926E-16
  7.97894823876E-16  8.73035750874E-16  9.55252989420E-16  1.04521294208E-15
  1.14364476888E-15  1.25134629742E-15  1.36919048948E-15  1.49813251664E-15
  1.63921750227E-15  1.79358899257E-15  1.96249822531E-15  2.14731427151E-15
  2.34953513212E-15  2.57079987978E-15  2.81290194390E-15  3.07780364693E-15
  3.36765210946E-15  3.68479665320E-15  4.03180784279E-15  4.41149832089E-15
  4.82694560527E-15  5.28151703280E-15  5.77889705247E-15  6.32311708859E-15
  6.91858821637E-15  7.57013691450E-15  8.28304418469E-15  9.06308835513E-15
  9.91659191482E-15  1.08504727584E-14  1.18723002566E-14  1.29903566074E-14
  1.42137039640E-14  1.55522578846E-14  1.70168676997E-14  1.86194044464E-14
  2.03728570844E-14  2.22914377728E-14  2.43906970601E-14  2.66876499228E-14
  2.92009136719E-14  3.19508588473E-14  3.49597743209E-14  3.82520479482E-14
  4.18543642313E-14  4.57959205963E-14  5.01086640370E-14  5.48275500437E-14
  5.99908259142E-14  6.56403407456E-14  7.18218846157E-14  7.85855597067E-14
  8.59861863755E-14  9.40837474643E-14  1.02943874450E-13  1.12638379375E-13
  1.23245836868E-13  1.34852220969E-13  1.47551601931E-13  1.61446908629E-13
  1.76650762770E-13  1.93286391649E-13  2.11488626866E-13  2.31404997084E-13
  2.53196923689E-13  2.77041029036E-13  3.03130567897E-13  3.31676993690E-13
  3.62911672205E-13  3.97087756689E-13  4.34482239512E-13  4.75398197015E-13
  5.20167245750E-13  5.69152230007E-13  6.22750162403E-13  6.81395441373E-13
  7.45563371628E-13  8.15774016101E-13  8.92596410608E-13  9.76653175368E-13
  1.06862556075E-12  1.16925896811E-12  1.27936899053E-12  1.39984802229E-12
  1.53167249072E-12  1.67591076899E-12  1.83373183395E-12  2.00641473923E-12
  2.19535898019E-12  2.40209583495E-12  2.62830077316E-12  2.87580703312E-12
  3.14662047738E-12  3.44293584692E-12  3.76715454586E-12  4.12190410061E-12
  4.51005945113E-12  4.93476624696E-12  5.39946633641E-12  5.90792565582E-12
  6.46426474443E-12  7.07299213231E-12  7.73904087174E-12  8.46780850796E-12
  9.26520081301E-12  1.01376796371E-11  1.10923152648E-11  1.21368437008E-11
  1.32797293477E-11  1.45302335861E-11  1.58984898097E-11  1.73955855245E-11
  1.90336521776E-11  2.08259634417E-11  2.27870427521E-11  2.49327809671E-11
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  1.06572297903E+00    Q_int
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  0.00000000000E+00    Q_int
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</PP_NONLOCAL>


<PP_PSWFC>
3D    2 10.00          Wavefunction
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  1.66942208438E-04  1.74616497126E-04  1.82643261674E-04  1.91038667019E-04
  1.99819617579E-04  2.09003790925E-04  2.18609672966E-04  2.28656594782E-04
  2.39164771033E-04  2.50155340184E-04  2.61650406500E-04  2.73673083927E-04
  2.86247542002E-04  2.99399053764E-04  3.13154045850E-04  3.27540150857E-04
  3.42586262041E-04  3.58322590460E-04  3.74780724692E-04  3.91993693252E-04
  4.09996029733E-04  4.28823840961E-04  4.48514878100E-04  4.69108610989E-04
  4.90646305795E-04  5.13171106090E-04  5.36728117565E-04  5.61364496515E-04
  5.87129542227E-04  6.14074793497E-04  6.42254129405E-04  6.71723874573E-04
  7.02542909036E-04  7.34772783000E-04  7.68477836658E-04  8.03725325263E-04
  8.40585549696E-04  8.79131992810E-04  9.19441461685E-04  9.61594236167E-04
  1.00567422386E-03  1.05176912188E-03  1.09997058572E-03  1.15037440531E-03
  1.20308068885E-03  1.25819405457E-03  1.31582383072E-03  1.37608426423E-03
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  1.72121746203E-03  1.79996510177E-03  1.88230035696E-03  1.96838549260E-03
  2.05839002077E-03  2.15249101717E-03  2.25087345081E-03  2.35373052753E-03
  2.46126404779E-03  2.57368477929E-03  2.69121284498E-03  2.81407812707E-03
  2.94252068752E-03  3.07679120581E-03  3.21715143434E-03  3.36387467244E-03
  3.51724625929E-03  3.67756408673E-03  3.84513913239E-03  4.02029601411E-03
  4.20337356606E-03  4.39472543757E-03  4.59472071524E-03  4.80374456913E-03
  5.02219892386E-03  5.25050315527E-03  5.48909481358E-03  5.73843037369E-03
  5.99898601351E-03  6.27125842113E-03  6.55576563158E-03  6.85304789398E-03
  7.16366856996E-03  7.48821506400E-03  7.82729978667E-03  8.18156115124E-03
  8.55166460477E-03  8.93830369403E-03  9.34220116730E-03  9.76411011239E-03
  1.02048151317E-02  1.06651335550E-02  1.11459166897E-02  1.16480511107E-02
  1.21724599881E-02  1.27201044547E-02  1.32919850129E-02  1.38891429810E-02
  1.45126619793E-02  1.51636694554E-02  1.58433382488E-02  1.65528881942E-02
  1.72935877632E-02  1.80667557430E-02  1.88737629518E-02  1.97160339894E-02
  2.05950490213E-02  2.15123455949E-02  2.24695204858E-02  2.34682315715E-02
  2.45101997302E-02  2.55972107609E-02  2.67311173226E-02  2.79138408867E-02
  2.91473737006E-02  3.04337807549E-02  3.17752017508E-02  3.31738530601E-02
  3.46320296720E-02  3.61521071188E-02  3.77365433714E-02  3.93878806972E-02
  4.11087474690E-02  4.29018599146E-02  4.47700237950E-02  4.67161359989E-02
  4.87431860380E-02  5.08542574297E-02  5.30525289491E-02  5.53412757334E-02
  5.77238702186E-02  6.02037828885E-02  6.27845828130E-02  6.54699379524E-02
  6.82636152001E-02  7.11694801388E-02  7.41914964779E-02  7.73337251424E-02
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  9.49967911618E-02  9.89507981475E-02  1.03055999487E-01  1.07317146961E-01
  1.11739059335E-01  1.16326615730E-01  1.21084748125E-01  1.26018432963E-01
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  1.53496160669E-01  1.59588837370E-01  1.65892219338E-01  1.72411205047E-01
  1.79150609656E-01  1.86115143661E-01  1.93309389846E-01  2.00737778429E-01
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  2.41532704469E-01  2.50446822633E-01  2.59619326201E-01  2.69052291978E-01
  2.78747328663E-01  2.88705530612E-01  2.98927429297E-01  3.09412942441E-01
  3.20161320903E-01  3.31171093341E-01  3.42440008765E-01  3.53964977072E-01
  3.65742007712E-01  3.77766146672E-01  3.90031411984E-01  4.02530728009E-01
  4.15255858823E-01  4.28197341031E-01  4.41344416437E-01  4.54684965018E-01
  4.68205438738E-01  4.81890796795E-01  4.95724442953E-01  5.09688165702E-01
  5.23762082066E-01  5.37924585925E-01  5.52152301864E-01  5.66420045570E-01
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  6.03643490838E-01  5.87831552553E-01  5.72175548667E-01  5.56724689912E-01
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  2.13902948181E-01  2.05589788882E-01  1.97494798728E-01  1.89615960570E-01
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  1.53388881763E-01  1.46760942592E-01  1.40333210173E-01  1.34103146840E-01
  1.28068150532E-01  1.22225555173E-01  1.16572631169E-01  1.11106586030E-01
  1.05824565149E-01  1.00723652727E-01  9.58008728864E-02  9.10531909534E-02
  8.64775149497E-02  8.20706972814E-02  7.78295366416E-02  7.37507801315E-02
  6.98311256028E-02  6.60672242250E-02  6.24556832763E-02  5.89930691580E-02
  5.56759106274E-02  5.25007022443E-02  4.94639080225E-02  4.65619652784E-02
  4.37912886620E-02  4.11482743607E-02  3.86293044570E-02  3.62307514260E-02
  3.39489827528E-02  3.17803656507E-02  2.97212718590E-02  2.77680824987E-02
  2.59171929633E-02  2.41650178210E-02  2.25079957051E-02  2.09425941677E-02
  1.94653144735E-02  1.80726963096E-02  1.67613223875E-02  1.55278229154E-02
  1.43688799180E-02  1.32812313836E-02  1.22616752187E-02  1.13070729911E-02
  1.04143534460E-02  9.58051577863E-03  8.80263265100E-03  8.07785294072E-03
  7.40340421246E-03  6.77659490441E-03  6.19481622416E-03  5.65554375031E-03
  5.15633873836E-03  4.69484913110E-03  4.26881027605E-03  3.87604535386E-03
  3.51446552384E-03  3.18206979420E-03  2.87694462615E-03  2.59726328263E-03
  2.34128493338E-03  2.10735352976E-03  1.89389646315E-03  1.69942302204E-03
  1.52252266358E-03  1.36186311557E-03  1.21618832577E-03  1.08431627525E-03
  9.65136672691E-04  8.57608546735E-04  7.60757752879E-04  6.73674411506E-04
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  1.17021039740E-04  1.00846040156E-04  8.67166836143E-05  7.44004692387E-05
  6.36882013021E-05  5.43961282453E-05  4.63544103797E-05  3.94105665942E-05
  3.34285155014E-05  2.82870928329E-05  2.38786701250E-05  2.01078712182E-05
  1.68903828678E-05  1.41518555804E-05  1.18268906437E-05  9.85810920360E-06
  8.19529916753E-06  6.79463566880E-06  5.61797081583E-06  4.63218846881E-06
  3.80861983283E-06  3.12251572790E-06  2.55257149148E-06  2.08050058360E-06
  1.69065309759E-06  1.36967552698E-06  1.10620829895E-06  8.90617754957E-07
  7.14759435849E-07  5.71769711434E-07  4.55882979152E-07  3.62271842403E-07
  2.86907863691E-07  2.26440669639E-07  1.78093362521E-07  1.39572365105E-07
  1.08989991082E-07  8.47981914031E-08  6.57320767453E-08  5.07619575851E-08
  3.90527756065E-08  2.99299233360E-08  2.28505628797E-08  1.73796596218E-08
  1.31700429769E-08  9.94589416608E-09  7.48914104277E-09  5.62831290092E-09
  4.22947482806E-09  3.16447207799E-09  2.35718479560E-09  1.74797021614E-09
  1.29030539927E-09  9.48066275959E-10  6.93332782792E-10  5.04626811196E-10
  3.65504463048E-10  2.63436883106E-10  1.88924933977E-10  1.34802382515E-10
  9.56902599013E-11  6.75718114780E-11  4.74631244023E-11  3.31592556561E-11
  2.30396107127E-11  1.59195616644E-11  1.09379473109E-11  7.47225866197E-12
  5.07506199502E-12  3.42661773344E-12  2.29977689251E-12  1.53412871609E-12
  1.01707656241E-12  6.70070274916E-13  4.38652297870E-13  2.85306511642E-13
  1.84353511558E-13  1.18330362673E-13  7.54400505522E-14  4.77665661760E-14
  3.00342616614E-14  1.87514438560E-14  1.16233287273E-14  7.15248432162E-15
  4.36883574644E-15  2.64854908055E-15  1.59343444719E-15  9.51248230397E-16
  5.63424677195E-16  3.31061210766E-16  1.92956082827E-16  1.11540581822E-16
  6.39406880274E-17  3.63443216584E-17  2.04811697918E-17  1.14412928064E-17
  6.33490291318E-18  3.47608869261E-18  1.89002860770E-18  1.01815119784E-18
  5.43327096493E-19  2.87179568930E-19  1.50323113873E-19  7.79137396264E-20
  3.99809810949E-20  2.03085083552E-20  1.02098853046E-20  5.07941886726E-21
  2.50027952348E-21  1.21751544165E-21  5.86409125568E-22  2.79315585760E-22
  1.31548112201E-22  6.12484015836E-23  2.81870844073E-23  1.28195931171E-23
  5.76088613723E-24  2.55750452805E-24  1.12143863765E-24  4.85607414950E-25
  2.07617174046E-25  8.76245193085E-26  3.64995408528E-26  1.50024512193E-26
  6.08362592968E-27  2.43332043823E-27  9.59803550603E-28
4S    0  1.00          Wavefunction
  1.09420436607E-05  1.11074114929E-05  1.12752785408E-05  1.14456825751E-05
  1.16186619376E-05  1.17942555494E-05  1.19725029199E-05  1.21534441555E-05
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  2.24797020331E-05  2.28194393903E-05  2.31643112279E-05  2.35143951440E-05
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  4.34935840002E-05  4.41509065616E-05  4.48181633373E-05  4.54955044663E-05
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  5.52912125110E-05  5.61268346766E-05  5.69750857689E-05  5.78361566551E-05
  5.87102410871E-05  5.95975357452E-05  6.04982402825E-05  6.14125573696E-05
  6.23406927406E-05  6.32828552389E-05  6.42392568648E-05  6.52101128227E-05
  6.61956415698E-05  6.71960648651E-05  6.82116078196E-05  6.92424989469E-05
  7.02889702142E-05  7.13512570953E-05  7.24295986229E-05  7.35242374428E-05
  7.46354198684E-05  7.57633959361E-05  7.69084194619E-05  7.80707480981E-05
  7.92506433915E-05  8.04483708424E-05  8.16641999643E-05  8.28984043444E-05
  8.41512617056E-05  8.54230539686E-05  8.67140673156E-05  8.80245922548E-05
  8.93549236856E-05  9.07053609653E-05  9.20762079762E-05  9.34677731942E-05
  9.48803697583E-05  9.63143155411E-05  9.77699332201E-05  9.92475503510E-05
  1.00747499441E-04  1.02270118023E-04  1.03815748734E-04  1.05384739390E-04
  1.06977443063E-04  1.08594218167E-04  1.10235428530E-04  1.11901443482E-04
  1.13592637938E-04  1.15309392477E-04  1.17052093436E-04  1.18821132990E-04
  1.20616909244E-04  1.22439826322E-04  1.24290294457E-04  1.26168730086E-04
  1.28075555939E-04  1.30011201142E-04  1.31976101304E-04  1.33970698624E-04
  1.35995441986E-04  1.38050787062E-04  1.40137196411E-04  1.42255139589E-04
  1.44405093251E-04  1.46587541261E-04  1.48802974796E-04  1.51051892465E-04
  1.53334800413E-04  1.55652212440E-04  1.58004650118E-04  1.60392642904E-04
  1.62816728262E-04  1.65277451786E-04  1.67775367319E-04  1.70311037083E-04
  1.72885031800E-04  1.75497930826E-04  1.78150322279E-04  1.80842803173E-04
  1.83575979550E-04  1.86350466622E-04  1.89166888904E-04  1.92025880360E-04
  1.94928084544E-04  1.97874154743E-04  2.00864754130E-04  2.03900555910E-04
  2.06982243470E-04  2.10110510540E-04  2.13286061344E-04  2.16509610763E-04
  2.19781884492E-04  2.23103619209E-04  2.26475562739E-04  2.29898474224E-04
  2.33373124293E-04  2.36900295237E-04  2.40480781191E-04  2.44115388303E-04
  2.47804934927E-04  2.51550251803E-04  2.55352182247E-04  2.59211582337E-04
  2.63129321116E-04  2.67106280782E-04  2.71143356888E-04  2.75241458549E-04
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  6.46324397382E-06  5.09877086550E-06  4.00769918182E-06  3.13846001311E-06
  2.44853549484E-06  1.90300589254E-06  1.47330401980E-06  1.13615209643E-06
  8.72658329169E-07  6.67552620198E-07  5.08542867026E-07  3.85775247881E-07
  2.91388322562E-07  2.19167154359E-07  1.64143529584E-07  1.22402059687E-07
  9.08744105312E-08  6.71665816947E-08  4.94190104904E-08  3.61937817152E-08
  2.63841136611E-08  1.91420629110E-08  1.38210565771E-08  9.93043213688E-09
  7.09965251361E-09  5.05027747901E-09  3.57412105056E-09  2.51631676970E-09
  1.76225626895E-09  1.22756828283E-09  8.50471407308E-10  5.85969928965E-10
  4.01472724300E-10  2.73504745929E-10  1.85252569403E-10  1.24742960411E-10
  8.34990613050E-11  5.55548021754E-11  3.67363680754E-11  2.41415396786E-11
  1.57647385411E-11  1.02286884180E-11  6.59359365676E-12  4.22231384789E-12
  2.68572384830E-12  1.69672115652E-12  1.06451794480E-12  6.63198237675E-13
  4.10237585342E-13  2.51931504122E-13  1.53580883121E-13  9.29291062848E-14
  5.58056697543E-14  3.32559260984E-14  1.96642300839E-14  1.15360499870E-14
  6.71381120560E-15  3.87566202914E-15  2.21894442913E-15  1.25990915834E-15
  7.09432719599E-16  3.96172458289E-16  2.19455746936E-16  1.20646513535E-16
  6.58940269949E-17  3.58314047032E-17  1.94794937412E-17  1.04906037888E-17
  5.59590410833E-18  2.95613347958E-18  1.54631476315E-18  8.00805368513E-19
  4.10530481928E-19  2.08298602950E-19  1.04588026558E-19  5.19593092357E-20
  2.55364572337E-20  1.24137453982E-20  5.96784998638E-21  2.83682611725E-21
  1.33313173764E-21  6.19246570125E-22  2.84267929394E-22  1.28940160775E-22
  5.77784430014E-23  2.55729459281E-23  1.11776831048E-23  4.82388022627E-24
  2.05509201358E-24  8.64114196566E-25  3.58533650546E-25  1.46764196620E-25
  5.92588089773E-26  2.35959875041E-26  9.26369661079E-27  3.58507727360E-27
  1.36737128381E-27  5.13868987417E-28  1.90238853726E-28  6.93630635219E-29
  2.49022983950E-29  8.80098129950E-30  3.06125922958E-30  1.04771159491E-30
  3.52735959992E-31  1.16792827650E-31  3.80217007841E-32  1.21670323723E-32
  3.82615618919E-33  1.18209146149E-33  3.58701786729E-34  1.06878915391E-34
  3.12612800946E-35  8.97338030749E-36  2.52706566766E-36  6.98011846762E-37
  1.89046071622E-37  5.01882418982E-38  1.30567378564E-38  3.32761213819E-39
  8.30540767448E-40  2.02946860611E-40  4.85352940982E-41  1.13565300550E-41
  2.59897969841E-42  5.81545607218E-43  1.27186363456E-43  2.71783560947E-44
  5.67256398550E-45  1.15599146284E-45  2.29928041571E-46  4.46202561193E-47
  8.44526519371E-48  1.55837332294E-48  2.80246428301E-49
</PP_RHOATOM>