qmcpack/tests/solids/Al-1x1x1-Gaussian_pp_ShiftedTwist/Al.ccECP.xml

<?xml version="1.0" encoding="UTF-8"?>
<pseudo version="0.5">
  <header symbol="Al" atomic-number="13" zval="3" relativistic="no" 
   polarized="no" creator="ppconvert" flavor="Troullier-Martins" 
   core-corrections="no" xc-functional-type="GGA" 
   xc-functional-parametrization="Perdew-Burke-Ernzerhof"/>
  <grid type="linear" units="bohr" ri="0" rf="1.00000000000000e+01" 
   npts="10001"/>
  <semilocal units="hartree" format="r*V" npots-down="3" npots-up="0" 
   l-local="2">
    <vps principal-n="0" l="s" spin="-1" cutoff="3.08" occupation="2">
      <radfunc>
        <grid type="linear" units="bohr" ri="0" rf="10" npts="10001"/>
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        </data>
      </radfunc>
    </vps>
  </semilocal>
  <pseudowave-functions units="electrons/bohr^(-3/2)" 
   format="u_n,l (r) = 1/r R_n,l (r)" n-pseudowave-functions-down="3" 
   n-pseudowave-functions-up="0">
    <pswf principal-n="0" l="s" spin="-1">
      <radfunc>
        <grid type="linear" units="bohr" ri="0" rf="10" npts="10001"/>
        <data>
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          7.61185446517522e-04  7.61305010271662e-04  7.61424590582777e-04
          7.61544187454226e-04  7.61663800889371e-04  7.61783430891574e-04
          7.61903077464193e-04  7.62022740610583e-04  7.62142420334095e-04
          7.62262116638083e-04  7.62381829525898e-04  7.62501559000895e-04
          7.62621305066432e-04  7.62741067725871e-04  7.62860846982572e-04
          7.62980642839896e-04  7.63100455301201e-04  7.63220284369835e-04
          7.63340130049143e-04  7.63459992342470e-04  7.63579871253160e-04
          7.63699766784563e-04  7.63819678940038e-04  7.63939607722951e-04
          7.64059553136666e-04  7.64179515184547e-04  7.64299493869957e-04
          7.64419489196249e-04  7.64539501166775e-04  7.64659529784888e-04
          7.64779575053938e-04  7.64899636977279e-04  7.65019715558264e-04
          7.65139810800248e-04  7.65259922706586e-04  7.65380051280631e-04
          7.65500196525738e-04  7.65620358445264e-04  7.65740537042565e-04
          7.65860732321000e-04  7.65980944283923e-04  7.66101172934692e-04
          7.66221418276656e-04  7.66341680313164e-04  7.66461959047566e-04
          7.66582254483211e-04  7.66702566623449e-04  7.66822895471639e-04
          7.66943241031140e-04  7.67063603305311e-04  7.67183982297512e-04
          7.67304378011101e-04  7.67424790449431e-04  7.67545219615855e-04
          7.67665665513724e-04  7.67786128146390e-04  7.67906607517206e-04
          7.68027103629525e-04  7.68147616486700e-04  7.68268146092086e-04
          7.68388692449037e-04  7.68509255560905e-04  7.68629835431045e-04
          7.68750432062812e-04  7.68871045459560e-04  7.68991675624644e-04
          7.69112322561419e-04  7.69232986273234e-04  7.69353666763443e-04
          7.69474364035396e-04  7.69595078092444e-04  7.69715808937940e-04
          7.69836556575239e-04  7.69957321007697e-04  7.70078102238670e-04
          7.70198900271514e-04  7.70319715109584e-04  7.70440546756232e-04
          7.70561395214809e-04  7.70682260488665e-04  7.70803142581153e-04
          7.70924041495623e-04  7.71044957235432e-04  7.71165889803934e-04
          7.71286839204486e-04  7.71407805440444e-04  7.71528788515162e-04
          7.71649788431989e-04  7.71770805194270e-04  7.71891838805352e-04
          7.72012889268582e-04  7.72133956587308e-04  7.72255040764886e-04
          7.72376141804676e-04  7.72497259710035e-04  7.72618394484322e-04
          7.72739546130895e-04  7.72860714653105e-04  7.72981900054302e-04
          7.73103102337835e-04  7.73224321507055e-04  7.73345557565313e-04
          7.73466810515959e-04  7.73588080362345e-04  7.73709367107825e-04
          7.73830670755749e-04  7.73951991309469e-04  7.74073328772338e-04
          7.74194683147710e-04  7.74316054438937e-04  7.74437442649372e-04
          7.74558847782368e-04  7.74680269841275e-04  7.74801708829440e-04
          7.74923164750214e-04  7.75044637606944e-04  7.75166127402981e-04
          7.75287634141680e-04  7.75409157826394e-04  7.75530698460478e-04
          7.75652256047289e-04  7.75773830590178e-04  7.75895422092496e-04
          7.76017030557592e-04  7.76138655988814e-04  7.76260298389512e-04
          7.76381957763035e-04  7.76503634112737e-04  7.76625327441973e-04
          7.76747037754098e-04  7.76868765052467e-04  7.76990509340433e-04
          7.77112270621340e-04  7.77234048898533e-04  7.77355844175353e-04
          7.77477656455145e-04  7.77599485741254e-04  7.77721332037035e-04
          7.77843195345847e-04  7.77965075671047e-04  7.78086973015994e-04
          7.78208887384044e-04  7.78330818778545e-04  7.78452767202847e-04
          7.78574732660296e-04  7.78696715154241e-04  7.78818714688029e-04
          7.78940731265011e-04  7.79062764888536e-04  7.79184815561954e-04
          7.79306883288615e-04  7.79428968071870e-04  7.79551069915069e-04
          7.79673188821564e-04  7.79795324794707e-04  7.79917477837849e-04
          7.80039647954342e-04  7.80161835147531e-04  7.80284039420763e-04
          7.80406260777385e-04  7.80528499220741e-04  7.80650754754179e-04
          7.80773027381053e-04  7.80895317104716e-04  7.81017623928522e-04
          7.81139947855825e-04  7.81262288889977e-04  7.81384647034326e-04
          7.81507022292219e-04  7.81629414667002e-04  7.81751824162020e-04
          7.81874250780622e-04  7.81996694526160e-04  7.82119155401989e-04
          7.82241633411462e-04  7.82364128557935e-04  7.82486640844758e-04
          7.82609170275273e-04  7.82731716852819e-04  7.82854280580735e-04
          7.82976861462359e-04  7.83099459501035e-04  7.83222074700116e-04
          7.83344707062961e-04  7.83467356592928e-04  7.83590023293374e-04
          7.83712707167656e-04  7.83835408219120e-04  7.83958126451113e-04
          7.84080861866979e-04  7.84203614470063e-04  7.84326384263712e-04
          7.84449171251273e-04  7.84571975436094e-04  7.84694796821522e-04
          7.84817635410905e-04  7.84940491207592e-04  7.85063364214933e-04
          7.85186254436277e-04  7.85309161874976e-04  7.85432086534379e-04
          7.85555028417836e-04  7.85677987528689e-04  7.85800963870283e-04
          7.85923957445959e-04  7.86046968259059e-04  7.86169996312928e-04
          7.86293041610917e-04  7.86416104156380e-04  7.86539183952671e-04
          7.86662281003142e-04  7.86785395311147e-04  7.86908526880030e-04
          7.87031675713134e-04  7.87154841813802e-04  7.87278025185378e-04
          7.87401225831208e-04  7.87524443754641e-04  7.87647678959035e-04
          7.87770931447740e-04  7.87894201224113e-04  7.88017488291504e-04
          7.88140792653248e-04  7.88264114312681e-04  7.88387453273135e-04
          7.88510809537944e-04  7.88634183110447e-04  7.88757573993996e-04
          7.88880982191951e-04  7.89004407707671e-04  7.89127850544513e-04
          7.89251310705835e-04  7.89374788194981e-04  7.89498283015294e-04
          7.89621795170116e-04  7.89745324662789e-04  7.89868871496658e-04
          7.89992435675066e-04  7.90116017201359e-04  7.90239616078884e-04
          7.90363232310985e-04  7.90486865901009e-04  7.90610516852304e-04
          7.90734185168220e-04  7.90857870852107e-04  7.90981573907313e-04
          7.91105294337186e-04  7.91229032145067e-04  7.91352787334292e-04
          7.91476559908200e-04  7.91600349870129e-04
        </data>
      </radfunc>
    </pswf>
  </pseudowave-functions>
</pseudo>