File: na_pbe_v1.5.uspp.F.UPF

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quantum-espresso-data-sssp 1.3.0-3
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<PP_INFO>
Generated using Vanderbilt code, version   7  3  6                              
Author: kfg        Generation date:   23    9   15                              
Automatically converted from original format                                    
    1        The Pseudo was generated with a Scalar-Relativistic Calculation
  1.60000000000E+00    Local Potential cutoff radius
nl pn  l   occ               Rcut            Rcut US             E pseu
2S  2  0  2.00      0.00000000000      1.37000000000     -4.17127678500
2P  2  1  6.00      0.00000000000      1.47000000000     -2.10741686400
3S  3  0  1.00      0.00000000000      1.37000000000     -0.20167644900
</PP_INFO>


<PP_HEADER>
   0                   Version Number
  Na                   Element
   US                  Ultrasoft pseudopotential
    F                  Nonlinear Core Correction
 SLA  PW   PBX  PBC    PBE  Exchange-Correlation functional
    9.00000000000      Z valence
  -95.25124097290      Total energy
    0.00000    0.00000 Suggested cutoff for wfc and rho
    2                  Max angular momentum component
  819                  Number of points in mesh
    3    5             Number of Wavefunctions, Number of Projectors
 Wavefunctions         nl  l   occ
                       2S  0  2.00
                       2P  1  6.00
                       3S  0  1.00
</PP_HEADER>


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  1.25232405545E+00  1.29323235071E+00  1.32908152178E+00  1.35870173164E+00
  1.38085761361E+00  1.39427514316E+00  1.39767817419E+00  1.38983591405E+00
  1.36962237622E+00  1.33608843691E+00  1.28854648878E+00  1.22666679528E+00
  1.15058347590E+00  1.06100659504E+00  9.59335124912E-01  8.47763705510E-01
  7.29374324031E-01  6.08202595227E-01  4.89267719714E-01  3.78556113986E-01
  2.82952088383E-01  2.10116061552E-01  1.68323296231E-01  1.64647788464E-01
  1.66535392807E-01  1.61673370848E-01  1.49421686176E-01  1.29468220964E-01
  1.02168639964E-01  6.91692430354E-02  3.45061366051E-02  7.10085222258E-03
 -3.61836985714E-04  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00
  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00
  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00
  0.00000000000E+00
  </PP_BETA>
  <PP_DIJ>
    7                  Number of nonzero Dij
    1    1 -2.57815492620E+01
    1    2  1.17649218203E+01
    2    2 -1.69995769607E+01
    3    3 -8.41489760580E+01
    3    4  7.84868626805E+01
    4    4 -8.68179660620E+01
    5    5 -1.07459581575E+01
  </PP_DIJ>
  <PP_QIJ>
    8     nqf. If not zero, Qij's inside rinner are computed using qfcoef's
    <PP_RINNER>
    1  1.25000000000E+00
    2  1.25000000000E+00
    3  1.25000000000E+00
    4  1.25000000000E+00
    5  1.25000000000E+00
    </PP_RINNER>
    1    1    0        i  j  (l(j))
  2.07228607306E-01    Q_int
  0.00000000000E+00  9.14292099210E-17  3.75033598455E-16  8.65412466435E-16
  1.57803378922E-15  2.52928179626E-15  3.73650706712E-15  5.21807927493E-15
  6.99344271501E-15  9.08317476348E-15  1.15090474182E-14  1.42940920824E-14
  1.74626677588E-14  2.10405328326E-14  2.50549206285E-14  2.95346189374E-14
  3.45100537211E-14  4.00133772080E-14  4.60785606109E-14  5.27414917046E-14
  6.00400775158E-14  6.80143523899E-14  7.67065917134E-14  8.61614315851E-14
  9.64259947430E-14  1.07550023072E-13  1.19586017034E-13  1.32589382371E-13
  1.46618584472E-13  1.61735310784E-13  1.78004641695E-13  1.95495230316E-13
  2.14279491638E-13  2.34433801530E-13  2.56038706099E-13  2.79179141938E-13
  3.03944667839E-13  3.30429708543E-13  3.58733811167E-13  3.88961914947E-13
  4.21224634996E-13  4.55638560794E-13  4.92326570170E-13  5.31418159578E-13
  5.73049791507E-13  6.17365259900E-13  6.64516074530E-13  7.14661865286E-13
  7.67970807415E-13  8.24620068788E-13  8.84796280331E-13  9.48696030813E-13
  1.01652638725E-12  1.08850544221E-12  1.16486288951E-12  1.24584062958E-12
  1.33169340626E-12  1.42268947637E-12  1.51911131408E-12  1.62125635151E-12
  1.72943775769E-12  1.84398525776E-12  1.96524599443E-12  2.09358543402E-12
  2.22938831915E-12  2.37305967079E-12  2.52502584181E-12  2.68573562515E-12
  2.85566141891E-12  3.03530045180E-12  3.22517607158E-12  3.42583910012E-12
  3.63786925821E-12  3.86187666395E-12  4.09850340828E-12  4.34842521176E-12
  4.61235316680E-12  4.89103556955E-12  5.18525984629E-12  5.49585457898E-12
  5.82369163522E-12  6.16968840789E-12  6.53481017012E-12  6.92007255152E-12
  7.32654414199E-12  7.75534922948E-12  8.20767067874E-12  8.68475295826E-12
  9.18790532297E-12  9.71850516077E-12  1.02780015112E-11  1.08679187654E-11
  1.14898605558E-11  1.21455138470E-11  1.28366532358E-11  1.35651454735E-11
  1.43329542203E-11  1.51421450439E-11  1.59948906760E-11  1.68934765384E-11
  1.78403065533E-11  1.88379092528E-11  1.98889442017E-11  2.09962087516E-11
  2.21626451409E-11  2.33913479605E-11  2.46855720034E-11  2.60487405172E-11
  2.74844538805E-11  2.89964987262E-11  3.05888575327E-11  3.22657187080E-11
  3.40314871922E-11  3.58907956046E-11  3.78485159636E-11  3.99097720083E-11
  4.20799521533E-11  4.43647231092E-11  4.67700442021E-11  4.93021824290E-11
  5.19677282866E-11  5.47736124122E-11  5.77271230804E-11  6.08359245973E-11
  6.41080766394E-11  6.75520545866E-11  7.11767708974E-11  7.49915975834E-11
  7.90063898366E-11  8.32315108699E-11  8.76778580337E-11  9.23568902723E-11
  9.72806569900E-11  1.02461828400E-10  1.07913727430E-10  1.13650363264E-10
  1.19686466614E-10  1.26037526789E-10  1.32719830676E-10  1.39750503721E-10
  1.47147553012E-10  1.54929912568E-10  1.63117490965E-10  1.71731221391E-10
  1.80793114282E-10  1.90326312651E-10  2.00355150264E-10  2.10905212794E-10
  2.22003402115E-10  2.33678003900E-10  2.45958758682E-10  2.58876936564E-10
  2.72465415760E-10  2.86758765170E-10  3.01793331188E-10  3.17607328967E-10
  3.34240938361E-10  3.51736404798E-10  3.70138145323E-10  3.89492860078E-10
  4.09849649510E-10  4.31260137585E-10  4.53778601328E-10  4.77462107002E-10
  5.02370653284E-10  5.28567321770E-10  5.56118435220E-10  5.85093723902E-10
  6.15566500483E-10  6.47613843885E-10  6.81316792570E-10  7.16760547747E-10
  7.54034686998E-10  7.93233388860E-10  8.34455668930E-10  8.77805628080E-10
  9.23392713403E-10  9.71331992543E-10  1.02174444210E-09  1.07475725082E-09
  1.13050413834E-09  1.18912569028E-09  1.25076971055E-09  1.31559159164E-09
  1.38375470404E-09  1.45543080547E-09  1.53080047126E-09  1.61005354668E-09
  1.69338962253E-09  1.78101853512E-09  1.87316089183E-09  1.97004862373E-09
  2.07192556646E-09  2.17904807092E-09  2.29168564529E-09  2.41012162998E-09
  2.53465390714E-09  2.66559564667E-09  2.80327609037E-09  2.94804137636E-09
  3.10025540577E-09  3.26030075390E-09  3.42857962806E-09  3.60551487455E-09
  3.79155103732E-09  3.98715547082E-09  4.19281951007E-09  4.40905970056E-09
  4.63641909134E-09  4.87546859440E-09  5.12680841373E-09  5.39106954767E-09
  5.66891536833E-09  5.96104328194E-09  6.26818647444E-09  6.59111574645E-09
  6.93064144250E-09  7.28761547901E-09  7.66293347642E-09  8.05753700053E-09
  8.47241591888E-09  8.90861087785E-09  9.36721590687E-09  9.84938115614E-09
  1.03563157747E-08  1.08892909362E-08  1.14496430194E-08  1.20387769528E-08
  1.26581697292E-08  1.33093741020E-08  1.39940224699E-08  1.47138309617E-08
  1.54706037297E-08  1.62662374641E-08  1.71027261381E-08  1.79821659967E-08
  1.89067608016E-08  1.98788273442E-08  2.09008012421E-08  2.19752430325E-08
  2.31048445780E-08  2.42924358009E-08  2.55409917627E-08  2.68536401068E-08
  2.82336688830E-08  2.96845347723E-08  3.12098717347E-08  3.28135000996E-08
  3.44994361220E-08  3.62719020301E-08  3.81353365861E-08  4.00944061905E-08
  4.21540165542E-08  4.43193249699E-08  4.65957532125E-08  4.89890011010E-08
  5.15050607557E-08  5.41502315865E-08  5.69311360494E-08  5.98547362116E-08
  6.29283511650E-08  6.61596753337E-08  6.95567977188E-08  7.31282221313E-08
  7.68828884615E-08  8.08301950394E-08  8.49800221414E-08  8.93427567021E-08
  9.39293182941E-08  9.87511864380E-08  1.03820429315E-07  1.09149733949E-07
  1.14752437940E-07  1.20642562819E-07  1.26834849120E-07  1.33344793244E-07
  1.40188686216E-07  1.47383654432E-07  1.54947702485E-07  1.62899758201E-07
  1.71259719977E-07  1.80048506538E-07  1.89288109263E-07  1.99001647179E-07
  2.09213424780E-07  2.19948992811E-07  2.31235212170E-07  2.43100321079E-07
  2.55574005711E-07  2.68687474426E-07  2.82473535821E-07  2.96966680778E-07
  3.12203168724E-07  3.28221118304E-07  3.45060602713E-07  3.62763749913E-07
  3.81374847981E-07  4.00940455870E-07  4.21509519841E-07  4.43133495866E-07
  4.65866478311E-07  4.89765335208E-07  5.14889850473E-07  5.41302873410E-07
  5.69070475875E-07  5.98262117513E-07  6.28950819451E-07  6.61213346905E-07
  6.95130401150E-07  7.30786821325E-07  7.68271796594E-07  8.07679089180E-07
  8.49107268832E-07  8.92659959317E-07  9.38446097550E-07  9.86580206006E-07
  1.03718267910E-06  1.09038008426E-06  1.14630547840E-06  1.20509874069E-06
  1.26690692229E-06  1.33188461412E-06  1.40019433338E-06  1.47200692997E-06
  1.54750201373E-06  1.62686840353E-06  1.71030459945E-06  1.79801927915E-06
  1.89023181965E-06  1.98717284594E-06  2.08908480762E-06  2.19622258519E-06
  2.30885412734E-06  2.42726112102E-06  2.55173969576E-06  2.68260116414E-06
  2.82017280025E-06  2.96479865798E-06  3.11684043139E-06  3.27667835903E-06
  3.44471217476E-06  3.62136210725E-06  3.80706993068E-06  4.00230006942E-06
  4.20754075923E-06  4.42330526807E-06  4.65013317940E-06  4.88859174140E-06
  5.13927728522E-06  5.40281671604E-06  5.67986908050E-06  5.97112721451E-06
  6.27731947554E-06  6.59921156365E-06  6.93760843600E-06  7.29335631931E-06
  7.66734482568E-06  8.06050917670E-06  8.47383254167E-06  8.90834849564E-06
  9.36514360343E-06  9.84536013612E-06  1.03501989268E-05  1.08809223726E-05
  1.14388575907E-05  1.20253997362E-05  1.26420154894E-05  1.32902467230E-05
  1.39717143560E-05  1.46881224060E-05  1.54412622485E-05  1.62330170954E-05
  1.70653667018E-05  1.79403923149E-05  1.88602818765E-05  1.98273354914E-05
  2.08439711766E-05  2.19127309052E-05  2.30362869592E-05  2.42174486088E-05
  2.54591691331E-05  2.67645532010E-05  2.81368646298E-05  2.95795345417E-05
  3.10961699381E-05  3.26905627126E-05  3.43666991261E-05  3.61287697674E-05
  3.79811800233E-05  3.99285610856E-05  4.19757815214E-05  4.41279594358E-05
  4.63904752577E-05  4.87689851804E-05  5.12694352894E-05  5.38980764148E-05
  5.66614797426E-05  5.95665532267E-05  6.26205588390E-05  6.58311307039E-05
  6.92062941601E-05  7.27544857977E-05  7.64845745205E-05  8.04058836861E-05
  8.45282143777E-05  8.88618698672E-05  9.34176813282E-05  9.82070348646E-05
  1.03241899920E-04  1.08534859141E-04  1.14099139765E-04  1.19948646610E-04
  1.26097996759E-04  1.32562556003E-04  1.39358477153E-04  1.46502740312E-04
  1.54013195189E-04  1.61908605592E-04  1.70208696172E-04  1.78934201565E-04
  1.88106918037E-04  1.97749757756E-04  2.07886805842E-04  2.18543380313E-04
  2.29746095092E-04  2.41522926219E-04  2.53903281435E-04  2.66918073305E-04
  2.80599796068E-04  2.94982606382E-04  3.10102408184E-04  3.25996941855E-04
  3.42705877917E-04  3.60270915482E-04  3.78735885695E-04  3.98146860423E-04
  4.18552266453E-04  4.40003005464E-04  4.62552580084E-04  4.86257226308E-04
  5.11176052617E-04  5.37371186115E-04  5.64907926048E-04  5.93854905049E-04
  6.24284258523E-04  6.56271802536E-04  6.89897220659E-04  7.25244260197E-04
  7.62400938249E-04  8.01459758108E-04  8.42517936481E-04  8.85677642069E-04
  9.31046246058E-04  9.78736585093E-04  1.02886723734E-03  1.08156281227E-03
  1.13695425480E-03  1.19517916455E-03  1.25638213077E-03  1.32071508395E-03
  1.38833766455E-03  1.45941761005E-03  1.53413116074E-03  1.61266348559E-03
  1.69520912864E-03  1.78197247733E-03  1.87316825335E-03  1.96902202731E-03
  2.06977075821E-03  2.17566335874E-03  2.28696128774E-03  2.40393917076E-03
  2.52688545017E-03  2.65610306590E-03  2.79191016832E-03  2.93464086433E-03
  3.08464599831E-03  3.24229396914E-03  3.40797158484E-03  3.58208495634E-03
  3.76506043175E-03  3.95734557285E-03  4.15941017518E-03  4.37174733349E-03
  4.59487455400E-03  4.82933491508E-03  5.07569827806E-03  5.33456254967E-03
  5.60655499761E-03  5.89233362097E-03  6.19258857685E-03  6.50804366469E-03
  6.83945786959E-03  7.18762696606E-03  7.55338518315E-03  7.93760693218E-03
  8.34120859783E-03  8.76515039320E-03  9.21043827949E-03  9.67812595026E-03
  1.01693168803E-02  1.06851664385E-02  1.12268840641E-02  1.17957355047E-02
  1.23930451144E-02  1.30201982092E-02  1.36786434777E-02  1.43698954415E-02
  1.50955369619E-02  1.58572217874E-02  1.66566771338E-02  1.74957062908E-02
  1.83761912441E-02  1.93000953043E-02  2.02694657284E-02  2.12864363201E-02
  2.23532299943E-02  2.34721612848E-02  2.46456387761E-02  2.58761674358E-02
  2.71663508192E-02  2.85188931183E-02  2.99366010205E-02  3.14223853396E-02
  3.29792623780E-02  3.46103549730E-02  3.63188931755E-02  3.81082145046E-02
  3.99817637148E-02  4.19430920048E-02  4.39958555930E-02  4.61438135735E-02
  4.83908249618E-02  5.07408448263E-02  5.31979193981E-02  5.57661800350E-02
  5.84498359115E-02  6.12531652905E-02  6.41805052226E-02  6.72362395086E-02
  7.04247847431E-02  7.37505742500E-02  7.72180397025E-02  8.08315902082E-02
  8.45955886280E-02  8.85143248808E-02  9.25919859760E-02  9.68326225009E-02
  1.01240111281E-01  1.05818113921E-01  1.10570030921E-01  1.15498951078E-01
  1.20607595834E-01  1.25898258308E-01  1.31372736673E-01  1.37032261616E-01
  1.42877417614E-01  1.48908057781E-01  1.55123212092E-01  1.61520988845E-01
  1.68098469263E-01  1.74851595249E-01  1.81775050367E-01  1.88862134280E-01
  1.96104630985E-01  2.03492671354E-01  2.11014590702E-01  2.18656782300E-01
  2.26403548026E-01  2.34236947624E-01  2.42136648390E-01  2.50079777436E-01
  2.58040779134E-01  2.65991280762E-01  2.73899969854E-01  2.81732487315E-01
  2.89451340864E-01  2.97015844000E-01  3.04382086223E-01  3.11502940894E-01
  3.18328117627E-01  3.24804266707E-01  3.30875143450E-01  3.36481840823E-01
  3.41563098856E-01  3.46055699443E-01  3.49894954923E-01  3.53015298371E-01
  3.55350982676E-01  3.56836894202E-01  3.57409485087E-01  3.57007825852E-01
  3.55574777055E-01  3.53058275002E-01  3.49412722122E-01  3.44600467417E-01
  3.38593356427E-01  3.31374323481E-01  3.22938991677E-01  3.13297238260E-01
  3.02474674954E-01  2.90513984776E-01  2.77476049085E-01  2.63440791675E-01
  2.48507661008E-01  2.32795667685E-01  2.16442892682E-01  1.99605383211E-01
  1.82455358090E-01  1.65178653980E-01  1.47971358933E-01  1.31035601951E-01
  1.14574499203E-01  9.87863031017E-02  8.38578655923E-02  6.99576200338E-02
  5.72284177626E-02  4.57807362819E-02  3.56870102267E-02  2.69781056568E-02
  1.96431894428E-02  1.36342438672E-02  8.87580082492E-03  5.27820202675E-03
  2.74702340272E-03  1.15819560265E-03  3.50637171253E-04  5.34779421984E-05
  1.06725293052E-06  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00
  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00
  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00
  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00
  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00
  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00
  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00
  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00
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2S    0  2.00          Wavefunction
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2P    1  6.00          Wavefunction
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  3.44230214162E-07  3.61888218418E-07  3.80451794145E-07  3.99967376680E-07
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