File: Zn_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
3S  3  0  2.00      0.00000000000      1.35000000000     -9.49834276500
3P  3  1  6.00      0.00000000000      1.40000000000     -6.12996941000
3D  3  2 10.00      0.00000000000      1.60000000000     -0.74531401300
4S  4  0  2.00      0.00000000000      1.35000000000     -0.43943839100
4P  4  1  0.00      0.00000000000      1.40000000000     -0.08199154900
</PP_INFO>


<PP_HEADER>
   0                   Version Number
  Zn                   Element
   US                  Ultrasoft pseudopotential
    F                  Nonlinear Core Correction
SLA  PW   PBE  PBE     PBE  Exchange-Correlation functional
   20.00000000000      Z valence
 -461.47730836100      Total energy
    0.00000    0.00000 Suggested cutoff for wfc and rho
    2                  Max angular momentum component
  943                  Number of points in mesh
    5    6             Number of Wavefunctions, Number of Projectors
 Wavefunctions         nl  l   occ
                       3S  0  2.00
                       3P  1  6.00
                       3D  2 10.00
                       4S  0  2.00
                       4P  1  0.00
</PP_HEADER>


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  <PP_BETA>
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 -1.00987021544E+00 -1.01811796508E+00 -1.02465578930E+00 -1.02916286505E+00
 -1.03126989878E+00 -1.03055592972E+00 -1.02654607535E+00 -1.01871064365E+00
 -1.00646607196E+00 -9.89178266284E-01 -9.66168956874E-01 -9.36725778332E-01
 -9.00116822643E-01 -8.55610432030E-01 -8.02501006191E-01 -7.40141491097E-01
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 -2.76668601227E-01 -1.54415331341E-01 -2.42312259772E-02  1.12109704322E-01
  2.52259904744E-01  3.93274766904E-01  5.31625035452E-01  6.63259780148E-01
  7.83736798569E-01  8.88438714998E-01  9.72892881540E-01  1.03321017256E+00
  1.06665018970E+00  1.07230556813E+00  1.05187242456E+00  1.01043217515E+00
  9.57104904814E-01  9.05336132789E-01  8.72433687226E-01  8.77761334850E-01
  9.38693551356E-01  1.06303352953E+00  1.23580750134E+00  1.39946014005E+00
  1.40677022204E+00  1.17920960187E+00  9.17767140963E-01  6.65051945532E-01
  4.31086612314E-01  2.30514591624E-01  7.98911848663E-02 -2.66688055069E-03
 -2.11401760712E-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
  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00
  </PP_BETA>
  <PP_DIJ>
    9                  Number of nonzero Dij
    1    1 -6.97688453471E+00
    1    2  2.93919959557E+00
    2    2  6.33524210561E-01
    3    3 -2.63697951616E+00
    3    4 -4.88735074923E+00
    4    4  8.39719222201E+00
    5    5  2.90620393002E+01
    5    6 -4.92581798643E+01
    6    6  8.20570548438E+01
  </PP_DIJ>
  <PP_QIJ>
    8     nqf. If not zero, Qij's inside rinner are computed using qfcoef's
    <PP_RINNER>
    1  1.10000000000E+00
    2  1.10000000000E+00
    3  1.10000000000E+00
    4  1.10000000000E+00
    5  1.10000000000E+00
    </PP_RINNER>
    1    1    0        i  j  (l(j))
  3.38439751641E-01    Q_int
  0.00000000000E+00  1.34880160392E-12  5.48626100989E-12  1.25529988468E-11
  2.26951768466E-11  3.60646986814E-11  5.28194178266E-11  7.31233526923E-11
  9.71469092728E-11  1.25067111573E-10  1.57067840077E-10  1.93340078545E-10
  2.34082169402E-10  2.79500078050E-10  3.29807666367E-10  3.85226975747E-10
  4.45988519988E-10  5.12331588361E-10  5.84504559235E-10  6.62765224588E-10
  7.47381125810E-10  8.38629901150E-10  9.36799645245E-10  1.04218928111E-09
  1.15510894504E-09  1.27588038487E-09  1.40483737200E-09  1.54232612775E-09
  1.68870576442E-09  1.84434874172E-09  2.00964133886E-09  2.18498414308E-09
  2.37079255506E-09  2.56749731174E-09  2.77554502732E-09  2.99539875283E-09
  3.22753855511E-09  3.47246211578E-09  3.73068535082E-09  4.00274305159E-09
  4.28918954799E-09  4.59059939435E-09  4.90756807918E-09  5.24071275916E-09
  5.59067301860E-09  5.95811165494E-09  6.34371549140E-09  6.74819621749E-09
  7.17229125858E-09  7.61676467530E-09  8.08240809390E-09  8.57004166864E-09
  9.08051507723E-09  9.61470855052E-09  1.01735339376E-08  1.07579358073E-08
  1.13688925881E-08  1.20074177461E-08  1.26745610050E-08  1.33714096061E-08
  1.40990896134E-08  1.48587672622E-08  1.56516503543E-08  1.64789897012E-08
  1.73420806170E-08  1.82422644619E-08  1.91809302390E-08  2.01595162457E-08
  2.11795117820E-08  2.22424589167E-08  2.33499543149E-08  2.45036511273E-08
  2.57052609446E-08  2.69565558190E-08  2.82593703546E-08  2.96156038690E-08
  3.10272226301E-08  3.24962621678E-08  3.40248296661E-08  3.56151064364E-08
  3.72693504753E-08  3.89898991105E-08  4.07791717362E-08  4.26396726429E-08
  4.45739939435E-08  4.65848185993E-08  4.86749235495E-08  5.08471829481E-08
  5.31045715102E-08  5.54501679741E-08  5.78871586803E-08  6.04188412736E-08
  6.30486285311E-08  6.57800523210E-08  6.86167676970E-08  7.15625571315E-08
  7.46213348941E-08  7.77971515794E-08  8.10941987885E-08  8.45168139714E-08
  8.80694854336E-08  9.17568575142E-08  9.55837359398E-08  9.95550933619E-08
  1.03676075082E-07  1.07952004974E-07  1.12388391604E-07  1.16990934566E-07
  1.21765531024E-07  1.26718282489E-07  1.31855501813E-07  1.37183720435E-07
  1.42709695862E-07  1.48440419416E-07  1.54383124234E-07  1.60545293548E-07
  1.66934669247E-07  1.73559260723E-07  1.80427354031E-07  1.87547521345E-07
  1.94928630752E-07  2.02579856369E-07  2.10510688805E-07  2.18730945985E-07
  2.27250784340E-07  2.36080710373E-07  2.45231592623E-07  2.54714674039E-07
  2.64541584771E-07  2.74724355392E-07  2.85275430582E-07  2.96207683266E-07
  3.07534429240E-07  3.19269442288E-07  3.31426969822E-07  3.44021749048E-07
  3.57069023681E-07  3.70584561233E-07  3.84584670885E-07  3.99086221969E-07
  4.14106663079E-07  4.29664041827E-07  4.45777025281E-07  4.62464921082E-07
  4.79747699299E-07  4.97646015007E-07  5.16181231646E-07  5.35375445170E-07
  5.55251509016E-07  5.75833059922E-07  5.97144544623E-07  6.19211247454E-07
  6.42059318893E-07  6.65715805070E-07  6.90208678280E-07  7.15566868538E-07
  7.41820296200E-07  7.68999905693E-07  7.97137700393E-07  8.26266778689E-07
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<PP_PSWFC>
3S    0  2.00          Wavefunction
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3P    1  6.00          Wavefunction
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