File: Zr_pbe_v1.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:   13    5 2013                              
Automatically converted from original format                                    
    1        The Pseudo was generated with a Scalar-Relativistic Calculation
  1.80000000000E+00    Local Potential cutoff radius
nl pn  l   occ               Rcut            Rcut US             E pseu
4S  4  0  2.00      0.00000000000      1.80000000000     -4.00590673400
4P  4  1  6.00      0.00000000000      2.00000000000     -2.38591332600
4D  4  2  2.00      0.00000000000      2.20000000000     -0.26453768200
5S  5  0  2.00      0.00000000000      1.80000000000     -0.32628577600
5P  5  1  0.00      0.00000000000      2.00000000000     -0.10799354900
</PP_INFO>


<PP_HEADER>
   0                   Version Number
  Zr                   Element
   US                  Ultrasoft pseudopotential
    T                  Nonlinear Core Correction
SLA  PW   PBE  PBE     PBE  Exchange-Correlation functional
   12.00000000000      Z valence
  -98.61631149800      Total energy
    0.00000    0.00000 Suggested cutoff for wfc and rho
    2                  Max angular momentum component
  887                  Number of points in mesh
    5    6             Number of Wavefunctions, Number of Projectors
 Wavefunctions         nl  l   occ
                       4S  0  2.00
                       4P  1  6.00
                       4D  2  2.00
                       5S  0  2.00
                       5P  1  0.00
</PP_HEADER>


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<PP_NONLOCAL>
  <PP_BETA>
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  <PP_BETA>
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  <PP_BETA>
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  5.75367131335E-01  5.96285008435E-01  6.17612894008E-01  6.39325948975E-01
  6.61395480650E-01  6.83788672908E-01  7.06468310667E-01  7.29392500942E-01
  7.52514391351E-01  7.75781889363E-01  7.99137383847E-01  8.22517472836E-01
  8.45852699911E-01  8.69067304026E-01  8.92078985919E-01  9.14798697206E-01
  9.37130455922E-01  9.58971195929E-01  9.80210655092E-01  1.00073131039E+00
  1.02040836644E+00  1.03910980641E+00  1.05669651286E+00  1.07302246874E+00
  1.08793504679E+00  1.10127539835E+00  1.11287895088E+00  1.12257602486E+00
  1.13019258061E+00  1.13555110445E+00  1.13847164522E+00  1.13877300913E+00
  1.13627412240E+00  1.13079556840E+00  1.12216130527E+00  1.11020056757E+00
  1.09474995438E+00  1.07565570128E+00  1.05277613349E+00  1.02598429025E+00
  9.95170709531E-01  9.60246354455E-01  9.21145659845E-01  8.77829669446E-01
  8.30289229716E-01  7.78548197971E-01  7.22666616437E-01  6.62743796421E-01
  5.98921248583E-01  5.31385390025E-01  4.60369949312E-01  3.86157987595E-01
  3.09083445143E-01  2.29532121850E-01  1.47941994812E-01  6.48027774516E-02
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 -6.50164037115E-01 -7.12743535464E-01 -7.69203575110E-01 -8.18848366339E-01
 -8.61035397011E-01 -8.95191760098E-01 -9.20831701003E-01 -9.37575563123E-01
 -9.45170469707E-01 -9.43513305962E-01 -9.32676887512E-01 -9.12940633995E-01
 -8.84827652689E-01 -8.49150901112E-01 -8.07072098153E-01 -7.60683601293E-01
 -7.07671609504E-01 -6.48164563695E-01 -5.82113037611E-01 -5.09608579921E-01
 -4.31057470565E-01 -3.47460339193E-01 -2.60821460438E-01 -1.74753888339E-01
 -9.53444101733E-02 -3.22121761541E-02 -1.53537523365E-03  1.83586486815E-04
  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  4.11421196956E-01
    1    2 -1.50808082463E+00
    2    2 -2.17718011620E+00
    3    3  4.28990239292E+00
    3    4  3.96266628356E+00
    4    4  4.76349605273E+00
    5    5  1.05584651776E+01
    5    6 -1.15766646082E+01
    6    6  1.32556012355E+01
  </PP_DIJ>
  <PP_QIJ>
    6     nqf. If not zero, Qij's inside rinner are computed using qfcoef's
    <PP_RINNER>
    1  1.20000000000E+00
    2  1.20000000000E+00
    3  1.20000000000E+00
    4  1.20000000000E+00
    5  1.20000000000E+00
    </PP_RINNER>
    1    1    0        i  j  (l(j))
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<PP_PSWFC>
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</PP_RHOATOM>