<?xml version="1.0" encoding="UTF-8" ?>
<psml version="1.1" energy_unit="hartree" length_unit="bohr"
 uuid="90ed5050-7302-11e7-5555-74a3ff8d9fbb"
 xmlns="http://esl.cecam.org/PSML/ns/1.1">
<provenance creator="ONCVPSP-3.3.0+psml-3.3.0-73 (scalar-relativistic)"
 date="2017-07-27">
<annotation action="semilocal-pseudopotential-generation"
 action-cont="projectors-generation" />
<input-file name="oncvpsp-input">
<![CDATA[# ATOM AND REFERENCE CONFIGURATION
# atsym, z, nc, nv, iexc   psfile
    Si  14     3   2   3   psp8
#
# n, l, f  (nc+nv lines)
    1    0    2.0
    2    0    2.0
    2    1    6.0
    3    0    2.0
    3    1    2.0
#
# PSEUDOPOTENTIAL AND OPTIMIZATION
# lmax
    2
#
# l, rc, ep, ncon, nbas, qcut  (lmax+1 lines, l's must be in order)
    0    2.70    0.00    5    8    5.00
    1    2.70    0.00    5    8    5.00
    2    2.70    0.10    5    8    5.00
#
# LOCAL POTENTIAL
# lloc, lpopt, rc(5), dvloc0
    4    5    2.7  0.0
#
# VANDERBILT-KLEINMAN-BYLANDER PROJECTORs
# l, nproj, debl  (lmax+1 lines, l's in order)
    0    2    1.0
    1    2    0.75
    2    2    0.75
#
# MODEL CORE CHARGE
# icmod, fcfact
   1    0.25
#
# LOG DERIVATIVE ANALYSIS
# epsh1, epsh2, depsh
   -2.0  2.0  0.02
#
# OUTPUT GRID
# rlmax, drl
    5.0  0.01
#
# TEST CONFIGURATIONS
# ncnf
    3
#
#   nvcnf (repeated ncnf times)
#   n, l, f  (nvcnf lines, repeated follwing nvcnf's ncnf times)
    2
    3    0    1.0
    3    1    2.0
#
    2
    3    0    2.0
    3    1    1.0
#
    2
    3    0    1.0
    3    1    1.0
]]>
</input-file>
</provenance>
<pseudo-atom-spec atomic-label="Si" atomic-number="14" z-pseudo="4"
 flavor="Hamann&apos;s oncvpsp" relativity="scalar" spin-dft="no"
 core-corrections="yes">
<annotation pseudo-energy="-3.79221256038" />
<exchange-correlation>
<annotation oncvpsp-xc-code="3"
 oncvpsp-xc-type="LDA -- Ceperley-Alder Perdew-Zunger" />
<libxc-info number-of-functionals="2">
<functional name="Slater exchange (LDA)" type="exchange" id="1" />
<functional name="Perdew &amp; Zunger (LDA)" type="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="457">
<annotation type="sampled from oncvpsp log grid"
 recipe="r(i:1..N) = r1*exp(a*(i-1)) + r=0; resampled"
 recipe-cont="r1: scale; a: step" scale="0.357142857143E-04"
 step="0.119285708653E-01" delta="0.500000000000E-02" rmax="44.1697227368" />
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 rescaled-to-z-pseudo="no">
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  2.060507906388E-05  1.816833959802E-05  1.599804923424E-05  1.406769213965E-05
  1.235309615051E-05  1.083225643711E-05  9.485169467163E-06  8.293676932159E-06
  7.241319288348E-06  6.313198553924E-06  5.495849996290E-06  4.777122338116E-06
  4.146066107858E-06  3.592829759505E-06  3.108563187237E-06  2.685328263420E-06
  2.316016032668E-06  1.994270200413E-06  1.714416561492E-06  1.471398022390E-06
  1.260714879941E-06  1.078370029336E-06  9.208187849880E-07  7.849230091858E-07
  6.679092552735E-07  5.673306443033E-07  4.810322065695E-07  4.071194320632E-07
  3.439297866032E-07  2.900069630991E-07  2.440776500350E-07  2.050306117389E-07
  1.718978872715E-07  1.438379267798E-07  1.201204958539E-07  1.001131897765E-07
  8.326941051494E-08  6.911766985520E-08  5.725209219306E-08  4.732400015589E-08
  3.903447542576E-08  3.212779585583E-08  2.638565821737E-08  2.162210368336E-08
  1.767907045002E-08  1.442250472703E-08  1.173896769983E-08  9.532681994884E-09
  7.722966675768E-09  6.242014878880E-09  5.032972880423E-09  4.048283688518E-09
  3.248262194829E-09  2.599872518448E-09  2.075681450567E-09  1.652964881243E-09
  1.312946781735E-09  1.040152728436E-09  8.218622653902E-10  6.476456868468E-10
  0.000000000000E+00  0.000000000000E+00  0.000000000000E+00  0.000000000000E+00
  0.000000000000E+00  0.000000000000E+00  0.000000000000E+00  0.000000000000E+00
  0.000000000000E+00  0.000000000000E+00  0.000000000000E+00  0.000000000000E+00
  0.000000000000E+00  0.000000000000E+00  0.000000000000E+00  0.000000000000E+00
  0.000000000000E+00  0.000000000000E+00  0.000000000000E+00  0.000000000000E+00
  0.000000000000E+00
</data>
</radfunc>
</pswf>
</pseudo-wave-functions>
</psml>