abinit-data 7.8.2-2 / usr / share / abinit / psp / 14si.xml

<?xml version="1.0" encoding="UTF-8" ?>
<pseudo version="0.5">
 <header symbol="Si" atomic-number="14.0000000000" zval="4.00000000000"
  creator="ATM3" date="17-DEC-04" flavor="Troullier-Martins" relativistic="no"
  polarized="no" core-corrections="no" xc-functional-type="LDA"
  xc-functional-parametrization="Ceperley-Alder" />
 <grid type="log" units="bohr" scale="0.177053726905E-03"
  step="0.125000000000E-01" npts="1074" />
 <semilocal units="rydberg" format="r*V" npots-down="4" npots-up="0">
  <vps principal-n="3" l="s" cutoff="1.88862476631" occupation="2.00000000000"
   spin="-1">
   <radfunc>
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    </data>
   </radfunc>
  </vps>
 </semilocal>
 <pseudowave-functions units="electrons/bohr^(-3/2)"
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  n-pseudowave-functions-up="0">
  <pswf principal-n="3" l="s" spin="-1">
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    </data>
   </radfunc>
  </pswf>
 </pseudowave-functions>
 <valence-charge>
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   </data>
  </radfunc>
 </pseudocore-charge>
</pseudo>