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<psml version="1.1" energy_unit="hartree" length_unit="bohr"
uuid="297821e0-be41-11e7-6802-e1ff7dfff095"
xmlns="http://esl.cecam.org/PSML/ns/1.1">
<provenance creator="ONCVPSP-3.3.0+psml-3.3.0-73 (scalar-relativistic)"
date="2017-10-31">
<annotation action="semilocal-pseudopotential-generation"
action-cont="projectors-generation" />
<input-file name="oncvpsp-input">
<![CDATA[# atsym z nc nv iexc psfile
C 6 1 2 4 upf
# n l f
1 0 2.0
2 0 2.0
2 1 2.0
# lmax
1
# l rc ep ncon nbas qcut
0 1.2 0.0 4 7 9.0
1 1.25 0.0 4 8 9.4
# lloc lpopt rc5 dvloc0
4 5 1.2 0.0
# l nproj debl
0 2 2.0
1 2 1.5
# icmod fcfact
3 4 1.55
# epsh1 epsh2 depsh
-12.0 12.0 0.02
# rlmax drl
6.0 0.01
0
]]>
</input-file>
</provenance>
<pseudo-atom-spec atomic-label="C" atomic-number="6" z-pseudo="4"
flavor="Hamann's oncvpsp" relativity="scalar" spin-dft="no"
core-corrections="yes">
<annotation pseudo-energy="-5.38893868603" />
<exchange-correlation>
<annotation oncvpsp-xc-code="4" oncvpsp-xc-type="GGA -- Perdew-Burke-Ernzerhof" />
<libxc-info number-of-functionals="2">
<functional name="Perdew, Burke & Ernzerhof (GGA)" type="exchange" id="101" />
<functional name="Perdew, Burke & Ernzerhof (GGA)" type="correlation"
id="130" />
</libxc-info>
</exchange-correlation>
<valence-configuration total-valence-charge="4">
<shell n="2" l="s" occupation="2" />
<shell n="2" l="p" occupation="2" />
</valence-configuration>
</pseudo-atom-spec>
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recipe="r(i:1..N) = r1*exp(a*(i-1)) + r=0; resampled"
recipe-cont="r1: scale; a: step" scale="0.833333333333E-04"
step="0.119285708653E-01" delta="0.500000000000E-02" rmax="44.1860389071" />
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