qmcpack/pseudopotentials/BFD/Na.BFD.xml

<?xml version="1.0" encoding="UTF-8"?>
<pseudo version="0.5">
  <header symbol="Na" atomic-number="11" zval="1" 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="3.475" occupation="1">
      <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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          3.13017044671136e-01  3.12995802097767e-01  3.12974553330943e-01
          3.12953298374618e-01  3.12932037232719e-01  3.12910769909059e-01
          3.12889496407420e-01  3.12868216731584e-01  3.12846930885333e-01
          3.12825638872476e-01  3.12804340696925e-01  3.12783036362616e-01
          3.12761725873486e-01  3.12740409233474e-01  3.12719086446468e-01
          3.12697757516168e-01  3.12676422446226e-01  3.12655081240295e-01
          3.12633733902025e-01  3.12612380435131e-01  3.12591020843562e-01
          3.12569655131332e-01  3.12548283302451e-01  3.12526905360931e-01
          3.12505521310743e-01  3.12484131155687e-01  3.12462734899524e-01
          3.12441332546012e-01  3.12419924098912e-01  3.12398509561992e-01
          3.12377088939060e-01  3.12355662233933e-01  3.12334229450427e-01
          3.12312790592361e-01  3.12291345663554e-01  3.12269894667842e-01
          3.12248437609065e-01  3.12226974491061e-01  3.12205505317672e-01
          3.12184030092719e-01  3.12162548819966e-01  3.12141061503157e-01
          3.12119568146039e-01  3.12098068752358e-01  3.12076563325882e-01
          3.12055051870472e-01  3.12033534390011e-01  3.12012010888380e-01
          3.11990481369463e-01  3.11968945837119e-01  3.11947404295111e-01
          3.11925856747179e-01  3.11904303197062e-01  3.11882743648499e-01
          3.11861178105253e-01  3.11839606571170e-01  3.11818029050120e-01
          3.11796445545974e-01  3.11774856062601e-01  3.11753260603829e-01
          3.11731659173326e-01  3.11710051774716e-01  3.11688438411627e-01
          3.11666819087684e-01  3.11645193806566e-01  3.11623562572166e-01
          3.11601925388429e-01  3.11580282259303e-01  3.11558633188734e-01
          3.11536978180621e-01  3.11515317238682e-01  3.11493650366586e-01
          3.11471977568005e-01  3.11450298846609e-01  3.11428614206111e-01
          3.11406923650394e-01  3.11385227183382e-01  3.11363524809001e-01
          3.11341816531176e-01  3.11320102353753e-01  3.11298382280266e-01
          3.11276656314171e-01  3.11254924458924e-01  3.11233186717979e-01
          3.11211443094888e-01  3.11189693593588e-01  3.11167938218111e-01
          3.11146176972488e-01  3.11124409860752e-01  3.11102636886873e-01
          3.11080858054570e-01  3.11059073367500e-01  3.11037282829321e-01
          3.11015486443689e-01  3.10993684214275e-01  3.10971876144802e-01
          3.10950062239005e-01  3.10928242500620e-01  3.10906416933382e-01
          3.10884585541037e-01  3.10862748327373e-01  3.10840905296184e-01
          3.10819056451269e-01  3.10797201796423e-01  3.10775341335409e-01
          3.10753475071854e-01  3.10731603009352e-01  3.10709725151496e-01
          3.10687841501879e-01  3.10665952064142e-01  3.10644056842115e-01
          3.10622155839676e-01  3.10600249060704e-01  3.10578336509075e-01
          3.10556418188626e-01  3.10534494103024e-01  3.10512564255893e-01
          3.10490628650858e-01  3.10468687291543e-01  3.10446740181614e-01
          3.10424787324892e-01  3.10402828725240e-01  3.10380864386521e-01
          3.10358894312596e-01  3.10336918507256e-01  3.10314936973993e-01
          3.10292949716228e-01  3.10270956737383e-01  3.10248958040877e-01
          3.10226953630222e-01  3.10204943509293e-01  3.10182927682055e-01
          3.10160906152474e-01  3.10138878924516e-01  3.10116846002085e-01
          3.10094807388851e-01  3.10072763088422e-01  3.10050713104405e-01
          3.10028657440409e-01  3.10006596100054e-01  3.09984529087012e-01
          3.09962456404964e-01  3.09940378057595e-01  3.09918294048586e-01
          3.09896204381632e-01  3.09874109060462e-01  3.09852008088819e-01
          3.09829901470444e-01  3.09807789209078e-01  3.09785671308429e-01
          3.09763547772077e-01  3.09741418603569e-01  3.09719283806452e-01
          3.09697143384271e-01  3.09674997340620e-01  3.09652845679273e-01
          3.09630688404050e-01  3.09608525518770e-01  3.09586357027254e-01
          3.09564182933281e-01  3.09542003240465e-01  3.09519817952381e-01
          3.09497627072601e-01  3.09475430604700e-01  3.09453228552291e-01
          3.09431020919143e-01  3.09408807709064e-01  3.09386588925864e-01
          3.09364364573349e-01  3.09342134655257e-01  3.09319899175029e-01
          3.09297658136036e-01  3.09275411541648e-01  3.09253159395233e-01
          3.09230901700253e-01  3.09208638460529e-01  3.09186369679972e-01
          3.09164095362494e-01  3.09141815512006e-01  3.09119530132361e-01
          3.09097239227173e-01  3.09074942800000e-01  3.09052640854396e-01
          3.09030333393918e-01  3.09008020422135e-01  3.08985701942664e-01
          3.08963377959134e-01  3.08941048475175e-01  3.08918713494417e-01
          3.08896373020500e-01  3.08874027057104e-01  3.08851675607920e-01
          3.08829318676638e-01  3.08806956266949e-01  3.08784588382509e-01
          3.08762215026842e-01  3.08739836203439e-01  3.08717451915790e-01
          3.08695062167385e-01  3.08672666961763e-01  3.08650266302646e-01
          3.08627860193806e-01  3.08605448639014e-01  3.08583031642041e-01
          3.08560609206616e-01  3.08538181336299e-01  3.08515748034609e-01
          3.08493309305064e-01  3.08470865151181e-01  3.08448415576521e-01
          3.08425960584804e-01  3.08403500179796e-01  3.08381034365258e-01
          3.08358563144954e-01  3.08336086522570e-01  3.08313604501487e-01
          3.08291117085008e-01  3.08268624276436e-01  3.08246126079075e-01
          3.08223622496323e-01  3.08201113531956e-01  3.08178599189843e-01
          3.08156079473854e-01  3.08133554387860e-01  3.08111023935668e-01
          3.08088488120842e-01  3.08065946946882e-01  3.08043400417289e-01
          3.08020848535563e-01  3.07998291305217e-01  3.07975728729815e-01
          3.07953160812933e-01  3.07930587558147e-01  3.07908008969032e-01
          3.07885425049175e-01  3.07862835802211e-01  3.07840241231783e-01
          3.07817641341536e-01  3.07795036135114e-01  3.07772425616126e-01
          3.07749809788031e-01  3.07727188654253e-01  3.07704562218216e-01
          3.07681930483344e-01  3.07659293453112e-01  3.07636651131199e-01
          3.07614003521338e-01  3.07591350627260e-01  3.07568692452697e-01
          3.07546029001335e-01  3.07523360276677e-01  3.07500686282181e-01
          3.07478007021305e-01  3.07455322497506e-01  3.07432632714288e-01
          3.07409937675332e-01  3.07387237384366e-01  3.07364531845118e-01
          3.07341821061314e-01  3.07319105036598e-01  3.07296383774274e-01
          3.07273657277561e-01  3.07250925549681e-01  3.07228188593852e-01
          3.07205446413399e-01  3.07182699012060e-01  3.07159946393677e-01
          3.07137188562092e-01  3.07114425521148e-01  3.07091657274620e-01
          3.07068883826016e-01  3.07046105178778e-01  3.07023321336349e-01
          3.07000532302170e-01  3.06977738079697e-01  3.06954938672437e-01
          3.06932134083913e-01  3.06909324317645e-01  3.06886509377155e-01
          3.06863689265979e-01  3.06840863987705e-01  3.06818033545939e-01
          3.06795197944282e-01  3.06772357186338e-01  3.06749511275669e-01
          3.06726660215666e-01  3.06703804009677e-01  3.06680942661050e-01
          3.06658076173135e-01  3.06635204549337e-01  3.06612327793288e-01
          3.06589445908676e-01  3.06566558899190e-01  3.06543666768518e-01
          3.06520769520310e-01  3.06497867158050e-01  3.06474959685187e-01
          3.06452047105165e-01  3.06429129421432e-01  3.06406206637442e-01
          3.06383278756686e-01  3.06360345782661e-01  3.06337407718867e-01
          3.06314464568803e-01  3.06291516335972e-01  3.06268563023901e-01
          3.06245604636121e-01  3.06222641176162e-01  3.06199672647557e-01
          3.06176699053817e-01  3.06153720398376e-01  3.06130736684650e-01
          3.06107747916054e-01  3.06084754096001e-01  3.06061755227937e-01
          3.06038751315416e-01  3.06015742362021e-01  3.05992728371337e-01
          3.05969709346946e-01  3.05946685292405e-01  3.05923656211152e-01
          3.05900622106599e-01  3.05877582982157e-01  3.05854538841237e-01
          3.05831489687279e-01  3.05808435523839e-01  3.05785376354504e-01
          3.05762312182858e-01  3.05739243012488e-01  3.05716168846924e-01
          3.05693089689472e-01  3.05670005543383e-01  3.05646916411909e-01
          3.05623822298299e-01  3.05600723205876e-01  3.05577619138241e-01
          3.05554510099065e-01  3.05531396092021e-01  3.05508277120780e-01
          3.05485153188967e-01  3.05462024300013e-01  3.05438890457303e-01
          3.05415751664222e-01  3.05392607924155e-01  3.05369459240496e-01
          3.05346305616679e-01  3.05323147056149e-01  3.05299983562350e-01
          3.05276815138725e-01  3.05253641788729e-01  3.05230463515844e-01
          3.05207280323565e-01  3.05184092215384e-01  3.05160899194793e-01
          3.05137701265260e-01  3.05114498430141e-01  3.05091290692770e-01
          3.05068078056476e-01  3.05044860524592e-01  3.05021638100487e-01
          3.04998410787685e-01  3.04975178589746e-01  3.04951941510232e-01
          3.04928699552705e-01  3.04905452720689e-01  3.04882201017562e-01
          3.04858944446667e-01  3.04835683011345e-01  3.04812416714937e-01
          3.04789145560823e-01  3.04765869552533e-01  3.04742588693634e-01
          3.04719302987692e-01  3.04696012438275e-01  3.04672717048878e-01
          3.04649416822709e-01  3.04626111762903e-01  3.04602801872597e-01
          3.04579487154925e-01  3.04556167613113e-01  3.04532843250743e-01
          3.04509514071484e-01  3.04486180079007e-01  3.04462841276983e-01
          3.04439497669023e-01  3.04416149258506e-01  3.04392796048751e-01
          3.04369438043076e-01  3.04346075244802e-01  3.04322707657258e-01
          3.04299335283823e-01  3.04275958127885e-01  3.04252576192832e-01
          3.04229189482054e-01  3.04205797998952e-01  3.04182401746974e-01
          3.04159000729584e-01  3.04135594950243e-01  3.04112184412412e-01
          3.04088769119517e-01  3.04065349074830e-01  3.04041924281585e-01
          3.04018494743018e-01  3.03995060462363e-01
        </data>
      </radfunc>
    </pswf>
  </pseudowave-functions>
</pseudo>