<?xml version="1.0" encoding="UTF-8" ?>
<psml version="1.1" energy_unit="hartree" length_unit="bohr"
 uuid="d95a6e00-3437-11eb-45a8-77bdaefe4a8b"
 xmlns="http://esl.cecam.org/PSML/ns/1.1">
<provenance creator="ONCVPSP-3.3.1+psml-3.3.1-75 (scalar-relativistic)"
 date="2020-12-01">
<annotation action="semilocal-pseudopotential-generation"
 action-cont="projectors-generation" />
<input-file name="oncvpsp-input">
<![CDATA[# atsym z nc nv iexc psfile
O 8 1 2 -001012 both
# n l f
1 0 2.0
2 0 2.0
2 1 4.0
# lmax
2
# l rc ep ncon nbas qcut
0 1.35 0.0 4 8 8.4
1 1.45 0.0 4 8 9.3
2 1.35 0.1 4 8 6.0
# lloc lpopt rc5 dvloc0
4 5 1.2 0.0
# l nproj debl
0 2 1.0
1 2 1.0
2 1 1.0
# icmod fcfact rcfact
3 4.0 1.5
# epsh1 epsh2 depsh
-12.0 12.0 0.02
# rlmax drl
6.0 0.01
 0
]]>
</input-file>
</provenance>
<pseudo-atom-spec atomic-label="O" atomic-number="8" z-pseudo="6"
 flavor="Hamann&apos;s oncvpsp" relativity="scalar" spin-dft="no"
 core-corrections="yes">
<annotation pseudo-energy="-15.7431302981" cutoff_hint_low="36"
 cutoff_hint_normal="38" cutoff_hint_high="40" />
<exchange-correlation>
<annotation oncvpsp-xc-code="-1012" oncvpsp-xc-type="libxc-interface" />
<libxc-info number-of-functionals="2">
<functional name="Slater exchange (LDA)" type="exchange" id="1" />
<functional name="Perdew &amp; Wang (LDA)" type="correlation" id="12" />
</libxc-info>
</exchange-correlation>
<valence-configuration total-valence-charge="6">
<shell n="2" l="s" occupation="2" />
<shell n="2" l="p" occupation="4" />
</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="0.625000000000E-04"
 step="0.119285708653E-01" delta="0.500000000000E-02" rmax="44.1243818316" />
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<valence-charge total-charge="6" is-unscreening-charge="yes"
 rescaled-to-z-pseudo="no">
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