File: s_pbe_v1.4.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:    1    4   15                              
Automatically converted from original format                                    
    1        The Pseudo was generated with a Scalar-Relativistic Calculation
  1.50000000000E+00    Local Potential cutoff radius
nl pn  l   occ               Rcut            Rcut US             E pseu
3S  3  0  2.00      0.00000000000      1.50000000000     -1.26833444300
3P  3  1  4.00      0.00000000000      1.50000000000     -0.51513600900
</PP_INFO>


<PP_HEADER>
   0                   Version Number
  S                    Element
   US                  Ultrasoft pseudopotential
    T                  Nonlinear Core Correction
 SLA  PW   PBX  PBC    PBE  Exchange-Correlation functional
    6.00000000000      Z valence
  -23.79695291080      Total energy
    0.00000    0.00000 Suggested cutoff for wfc and rho
    2                  Max angular momentum component
  907                  Number of points in mesh
    2    6             Number of Wavefunctions, Number of Projectors
 Wavefunctions         nl  l   occ
                       3S  0  2.00
                       3P  1  4.00
</PP_HEADER>


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</PP_LOCAL>


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  <PP_BETA>
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  <PP_BETA>
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  <PP_BETA>
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   635
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  <PP_BETA>
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  3.02178361701E-03  3.17553274411E-03  3.33705477158E-03  3.50673842644E-03
  3.68499159548E-03  3.87224211725E-03  4.06893877077E-03  4.27555231970E-03
  4.49257639630E-03  4.72052872828E-03  4.95995220989E-03  5.21141601244E-03
  5.47551693685E-03  5.75288049747E-03  6.04416256136E-03  6.35005028955E-03
  6.67126399725E-03  7.00855842261E-03  7.36272433331E-03  7.73459017878E-03
  8.12502376539E-03  8.53493394716E-03  8.96527260409E-03  9.41703631766E-03
  9.89126855806E-03  1.03890615234E-02  1.09115584097E-02  1.14599555230E-02
  1.20355044085E-02  1.26395146652E-02  1.32733556145E-02  1.39384595154E-02
  1.46363237853E-02  1.53685137496E-02  1.61366652812E-02  1.69424878901E-02
  1.77877672653E-02  1.86743687074E-02  1.96042397357E-02  2.05794136200E-02
  2.16020122962E-02  2.26742499714E-02  2.37984362116E-02  2.49769794621E-02
  2.62123907917E-02  2.75072868429E-02  2.88643941717E-02  3.02865523095E-02
  3.17767177151E-02  3.33379674554E-02  3.49735028695E-02  3.66866531974E-02
  3.84808797380E-02  4.03597787426E-02  4.23270860087E-02  4.43866796815E-02
  4.65425843395E-02  4.87989740270E-02  5.11601758453E-02  5.36306730870E-02
  5.62151078813E-02  5.89182846881E-02  6.17451721293E-02  6.47009057862E-02
  6.77907902167E-02  7.10202999300E-02  7.43950820441E-02  7.79209557438E-02
  8.16039130213E-02  8.54501198774E-02  8.94659130455E-02  9.36578017019E-02
  9.80324623413E-02  1.02596739185E-01  1.07357637240E-01  1.12322321462E-01
  1.17498107595E-01  1.22892459546E-01  1.28512978097E-01  1.34367396240E-01
  1.40463565047E-01  1.46809446801E-01  1.53413099201E-01  1.60282662336E-01
  1.67426345068E-01  1.74852404459E-01  1.82569131223E-01  1.90584825505E-01
  1.98907778928E-01  2.07546246634E-01  2.16508426526E-01  2.25802427295E-01
  2.35436244518E-01  2.45417724879E-01  2.55754539485E-01  2.66454144815E-01
  2.77523752010E-01  2.88970287582E-01  3.00800356254E-01  3.13020204419E-01
  3.25635677300E-01  3.38652183697E-01  3.52074651554E-01  3.65907493525E-01
  3.80154563449E-01  3.94819123486E-01  4.09903803739E-01  4.25410573650E-01
  4.41340705605E-01  4.57694753557E-01  4.74472524138E-01  4.91673062788E-01
  5.09294637155E-01  5.27334730447E-01  5.45790043064E-01  5.64656493447E-01
  5.83929237546E-01  6.03602682777E-01  6.23670522859E-01  6.44125765391E-01
  6.64960780544E-01  6.86167339699E-01  7.07736672414E-01  7.29659509460E-01
  7.51926138857E-01  7.74526440801E-01  7.97449925070E-01  8.20685739347E-01
  8.44222659157E-01  8.68049043450E-01  8.92152736293E-01  9.16520924498E-01
  9.41139903991E-01  9.65994773792E-01  9.91069002176E-01  1.01634387684E+00
  1.04179778256E+00  1.06740531125E+00  1.09313614467E+00  1.11895370905E+00
  1.14481354120E+00  1.17066136378E+00  1.19643080911E+00  1.22204078663E+00
  1.24739245997E+00  1.27236580607E+00  1.29681577464E+00  1.32056801753E+00
  1.34341424925E+00  1.36510724740E+00  1.38535560510E+00  1.40381831015E+00
  1.42009934561E+00  1.43374248011E+00  1.44422656250E+00  1.45096162045E+00
  1.45328623400E+00  1.45046666132E+00  1.44169836303E+00  1.42611063754E+00
  1.40277518078E+00  1.37071952939E+00  1.32894635747E+00  1.27645974699E+00
  1.21229947331E+00  1.13558439803E+00  1.04556583738E+00  9.41691603632E-01
  8.23680923032E-01  6.91609898543E-01  5.46006223130E-01  3.87950753052E-01
  2.19181911403E-01  4.21969798373E-02 -1.39658131566E-01 -3.22121975814E-01
 -4.99988141681E-01 -6.67131678064E-01 -8.16613379508E-01 -9.40887404771E-01
 -1.03213991622E+00 -1.08278665276E+00 -1.08615353492E+00 -1.03735448019E+00
 -9.34360643761E-01 -7.79220625262E-01 -5.79334367001E-01 -3.48595090226E-01
 -1.08079865391E-01  1.14227613878E-01  2.85484493762E-01  3.73008357276E-01
  3.54112248896E-01  2.32722096824E-01  7.23305799804E-02 -4.34474289564E-03
  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
  </PP_BETA>
  <PP_DIJ>
    9                  Number of nonzero Dij
    1    1  2.09636027622E-01
    1    2 -4.59247961300E+00
    2    2 -4.89287160432E+00
    3    3 -9.44143806416E-01
    3    4 -3.59252342126E+00
    4    4 -2.52855669935E+00
    5    5  7.94679654327E-02
    5    6 -3.00658290167E+00
    6    6  5.78196180648E+01
  </PP_DIJ>
  <PP_QIJ>
    8     nqf. If not zero, Qij's inside rinner are computed using qfcoef's
    <PP_RINNER>
    1  1.30000000000E+00
    2  1.30000000000E+00
    3  1.30000000000E+00
    4  1.30000000000E+00
    5  1.30000000000E+00
    </PP_RINNER>
    1    1    0        i  j  (l(j))
 -5.92768210789E-01    Q_int
  0.00000000000E+00 -8.14103725985E-12 -3.31137323449E-11 -7.57668370471E-11
 -1.36982547904E-10 -2.17677718400E-10 -3.18805113582E-10 -4.41354708535E-10
 -5.86355032242E-10 -7.54874558382E-10 -9.48023144676E-10 -1.16695352246E-09
 -1.41286283821E-09 -1.68699424879E-09 -1.99063857229E-09 -2.32513599637E-09
 -2.69187784599E-09 -3.09230841280E-09 -3.52792684797E-09 -4.00028912095E-09
 -4.51101004620E-09 -5.06176538043E-09 -5.65429399248E-09 -6.29040010868E-09
 -6.97195563598E-09 -7.70090256567E-09 -8.47925546041E-09 -9.30910402751E-09
 -1.01926157812E-08 -1.11320387971E-08 -1.21297045622E-08 -1.31880309232E-08
 -1.43095251372E-08 -1.54967870271E-08 -1.67525122469E-08 -1.80794956595E-08
 -1.94806348311E-08 -2.09589336462E-08 -2.25175060475E-08 -2.41595799050E-08
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 -1.87272733678E-07 -1.96139496900E-07 -2.05365556285E-07 -2.14964077690E-07
 -2.24948689824E-07 -2.35333500220E-07 -2.46133111742E-07 -2.57362639668E-07
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 -7.34946887791E-07 -7.64840475420E-07 -7.95847465126E-07 -8.28007279004E-07
 -8.61360703651E-07 -8.95949936891E-07 -9.31818636093E-07 -9.69011968131E-07
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 -2.49944516371E-06 -2.59334558376E-06 -2.69059948918E-06 -2.79132341554E-06
 -2.89563789659E-06 -3.00366760056E-06 -3.11554147115E-06 -3.23139287328E-06
 -3.35135974379E-06 -3.47558474725E-06 -3.60421543712E-06 -3.73740442234E-06
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 -4.47744117836E-06 -4.64149028935E-06 -4.81132274473E-06 -4.98713831633E-06
 -5.16914361007E-06 -5.35755229876E-06 -5.55258536262E-06 -5.75447133808E-06
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 -7.92162153448E-06 -8.20646418047E-06 -8.50125256026E-06 -8.80632867230E-06
 -9.12204618897E-06 -9.44877085369E-06 -9.78688089143E-06 -1.01367674332E-05
 -1.04988349548E-05 -1.08735017308E-05 -1.12612003037E-05 -1.16623779688E-05
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<PP_PSWFC>
3S    0  2.00          Wavefunction
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3P    1  4.00          Wavefunction
  0.00000000000E+00  7.72659260548E-13  3.14279754914E-12  7.19096921185E-12
  1.30009028085E-11  2.06596161619E-11  3.02575354320E-11  4.18886183539E-11
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  4.28136314846E-10  4.80408058230E-10  5.36644469652E-10  5.97016786777E-10
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