<?xml version="1.0" encoding="UTF-8" ?>
<psml version="1.1" energy_unit="hartree" length_unit="bohr"
 uuid="f8bb89e0-7654-11e7-5dfb-4c6b74ffc755"
 xmlns="http://esl.cecam.org/PSML/ns/1.1">
<provenance record-number="2" creator="psop-1.1" date="2017-07-31">
<annotation source-uuid="d8fe19e0-6eef-11e7-4f1b-23daefffc21a"
 command-line="/Users/javier/Code/Launchpad/trunk-psml/Pseudo/vnl-operator/psop -K -o Si.psml Si.tm2.psml"
 action="inserted-local-potential" action-cont="inserted-nonlocal-projectors" />
</provenance>
<provenance record-number="1" creator="ATM4.2.6" date="22-JUL-17">
<annotation action="semilocal-pseudopotential-generation" />
<input-file name="INP">
<![CDATA[#
#  Pseudopotential generation for Silicon
#  pg: simple generation
#
   pg      Silicon
        tm2      3.0             # PS flavor, logder R
 n=Si c=ca                       # Symbol, XC flavor,{ |r|s}
       0.0       0.0       0.0       0.0       0.0       0.0
    3    4                       # norbs_core, norbs_valence
    3    0      2.00      0.00   # 3s2
    3    1      2.00      0.00   # 3p2
    3    2      0.00      0.00   # 3d0
    4    3      0.00      0.00   # 4f0
      1.90      1.90      1.90      1.90      0.00      0.00
#
# Last line (above):
#    rc(s)     rc(p)     rc(d)     rc(f)   rcore_flag  rcore
#
#23456789012345678901234567890123456789012345678901234567890

]]>
</input-file>
</provenance>
<pseudo-atom-spec atomic-label="Si" atomic-number="14" z-pseudo="4"
 flavor="Troullier-Martins" relativity="no" spin-dft="no" core-corrections="no">
<annotation pseudo-energy="-3.74607094364" />
<exchange-correlation>
<annotation atom-xc-code="ca" siesta-xc-type="LDA" siesta-xc-authors="CA" />
<libxc-info number-of-functionals="2">
<functional name="XC_LDA_X" type="XC_EXCHANGE" id="1" />
<functional name="XC_LDA_C_PZ" type="XC_CORRELATION" id="9" />
</libxc-info>
</exchange-correlation>
<valence-configuration total-valence-charge="4">
<shell n="3" l="s" occupation="2" />
<shell n="3" l="p" occupation="2" />
</valence-configuration>
</pseudo-atom-spec>
<grid npts="376">
<annotation type="sampled-log-atom"
 recipe="r(i:1..N) = a*(exp(b*(i-1))-1); resampled"
 recipe-cont="a: scale; b: step" scale="0.177053726905E-03"
 step="0.125000000000E-01" delta="0.500000000000E-02" rmax="20" />
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  5.575941442326E-08  5.717863400410E-08  5.863352029305E-08  6.012501255745E-08
  6.165407795368E-08  6.322171231519E-08  6.482894095510E-08  6.647681948227E-08
  6.816643463139E-08  6.989890510774E-08  7.167538244741E-08  7.349705189376E-08
  7.536513329108E-08  7.728088244149E-08  7.924559373336E-08  8.126060005852E-08
  8.332726948002E-08  8.544701038301E-08  8.762127035626E-08  8.985153823945E-08
  9.213934509249E-08  9.448626542359E-08  9.689391839005E-08  9.936396902134E-08
  1.018981294672E-07  1.044981602758E-07  1.071658717072E-07  1.099031250857E-07
  1.127118341972E-07  1.155939667337E-07  1.185515457915E-07  1.215866514258E-07
  1.247014222665E-07  1.278980572004E-07  1.311788171232E-07  1.345460267668E-07
  1.380020766072E-07  1.415494248564E-07  1.451905995465E-07  1.489282007081E-07
  1.527649026516E-07  1.567034563567E-07  1.607466919751E-07  1.648975214551E-07
  1.691589412936E-07  1.735340354227E-07  1.780259782403E-07  1.826380377891E-07
  1.873735790962E-07  1.922360676787E-07  1.972290732258E-07  2.023562734668E-07
  2.076214582336E-07  2.130285337290E-07  2.185815270104E-07  2.242845907005E-07
  2.301420079357E-07  2.361581975649E-07  2.423377196099E-07  2.486852810008E-07
  2.552057415999E-07  2.619041205268E-07  2.687856027999E-07  2.758555463087E-07
  2.831194891319E-07  2.905831572175E-07  2.982524724415E-07  3.061335610610E-07
  3.142327625813E-07  3.225566390526E-07  3.311119848175E-07  3.399058367266E-07
  3.489454848441E-07  3.582384836627E-07  3.677926638494E-07  3.776161445447E-07
  3.877173462380E-07  3.981050042416E-07  4.087881827888E-07  4.197762897799E-07
  4.310790922025E-07  4.427067322523E-07  4.546697441813E-07  4.669790719023E-07
  4.796460873775E-07  4.926826098216E-07  5.061009257505E-07  5.199138099051E-07
  5.341345470855E-07  5.487769549265E-07  5.638554076497E-07  5.793848608279E-07
  5.953808771973E-07  6.118596535552E-07  6.288380487820E-07  6.463336130269E-07
  6.643646180972E-07  6.829500890942E-07  7.021098373387E-07  7.218644946293E-07
  7.422355488805E-07  7.632453811869E-07  7.849173043615E-07  8.072756029992E-07
  8.303455751143E-07  8.541535754077E-07  8.787270602156E-07  9.040946341968E-07
  9.302860988160E-07  9.573325026817E-07  9.852661938014E-07  1.014120873814E-06
  1.043931654270E-06  1.074735115014E-06  1.106569364760E-06  1.139474103902E-06
  1.173490689661E-06  1.208662203621E-06  1.245033521752E-06  1.282651386980E-06
  1.321564484403E-06  1.361823519234E-06  1.403481297554E-06  1.446592809974E-06
  1.491215318297E-06  1.537408445272E-06  1.585234267563E-06  1.634757412000E-06
  1.686045155265E-06  1.739167527086E-06  1.794197417081E-06  1.851210685369E-06
  1.910286277058E-06  1.971506340764E-06  2.034956351280E-06  2.100725236543E-06
  2.168905509046E-06  2.239593401847E-06  2.312889009332E-06  2.388896432908E-06
  2.467723931791E-06  2.549484079069E-06  2.634293923236E-06  2.722275155402E-06
  2.813554282357E-06  2.908262805744E-06  3.006537407540E-06  3.108520142087E-06
  3.214358634933E-06  3.324206288726E-06  3.438222496445E-06  3.556572862244E-06
  3.679429430215E-06  3.806970921374E-06  3.939382979196E-06  4.076858424051E-06
  4.219597516884E-06  4.367808232524E-06  4.521706543003E-06  4.681516711310E-06
  4.847471595983E-06  5.019812967007E-06  5.198791833479E-06  5.384668783516E-06
  5.577714336929E-06  5.778209311187E-06  5.986445201217E-06  6.202724573632E-06
  6.427361475969E-06  6.660681861577E-06  6.903024030793E-06  7.154739089093E-06
  7.416191422911E-06  7.687759193868E-06  7.969834852155E-06  8.262825669871E-06
  8.567154295132E-06  8.883259327785E-06  9.211595917631E-06  9.552636386043E-06
  9.906870871939E-06  1.027480800309E-05  1.065697559376E-05  1.105392136974E-05
</data>
</radfunc>
</pswf>
</pseudo-wave-functions>
</psml>
