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<UPF version="2.0.1">
<PP_INFO>
This pseudopotential file has been produced using the code
ONCVPSP (Optimized Norm-Conservinng Vanderbilt PSeudopotential)
scalar-relativistic version 4.0.1 06/20/2107 by D. R. Hamann
The code is available through a link at URL www.mat-simresearch.com.
Documentation with the package provides a full discription of the
input data below.
While it is not required under the terms of the GNU GPL, it is
suggested that you cite D. R. Hamann, Phys. Rev. B 88, 085117 (2013)
in any publication using these pseudopotentials.
<PP_INPUTFILE>
# ATOM AND REFERENCE CONFIGURATION
# atsym z nc nv iexc psfile
S 16.00 3 2 4 both
#
# n l f energy (Ha)
1 0 2.00
2 0 2.00
2 1 6.00
3 0 2.00
3 1 4.00
#
# PSEUDOPOTENTIAL AND OPTIMIZATION
# lmax
2
#
# l, rc, ep, ncon, nbas, qcut
0 1.45000 0.00000 4 9 6.30000
1 1.45000 0.00000 4 9 7.60000
2 1.45000 0.05000 4 9 7.20000
#
# LOCAL POTENTIAL
# lloc, lpopt, rc(5), dvloc0
4 5 1.40000 0.00000
#
# VANDERBILT-KLEINMAN-BYLANDER PROJECTORs
# l, nproj, debl
0 2 2.00000
1 2 2.00000
2 2 1.00000
#
# MODEL CORE CHARGE
# icmod, fcfact, rcfact
3 6.00000 1.25000
#
# LOG DERIVATIVE ANALYSIS
# epsh1, epsh2, depsh
-12.00 12.00 0.02
#
# OUTPUT GRID
# rlmax, drl
6.00 0.01
#
# TEST CONFIGURATIONS
# ncnf
0
# nvcnf
# n l f
</PP_INPUTFILE>
</PP_INFO>
<!-- -->
<!-- END OF HUMAN READABLE SECTION -->
<!-- -->
<PP_HEADER
generated="Generated using ONCVPSP code by D. R. Hamann"
author="anonymous"
date="220131"
comment=""
element="S "
pseudo_type="NC"
relativistic="scalar"
is_ultrasoft="F"
is_paw="F"
is_coulomb="F"
has_so="F"
has_wfc="F"
has_gipaw="F"
core_correction="T"
functional="PBE"
z_valence=" 6.00"
total_psenergy=" -2.02160467010E+01"
rho_cutoff=" 1.14700000000E+01"
l_max="2"
l_local="-1"
mesh_size=" 1148"
number_of_wfc="2"
number_of_proj="6"/>
<PP_MESH>
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1.8539634836E-05 1.8272872338E-05 1.8009947709E-05 1.7750805761E-05
1.7495392100E-05 1.7243653114E-05 1.6995535959E-05 1.6750988554E-05
1.6509959562E-05 1.6272398385E-05 1.6038255154E-05 1.5807480713E-05
1.5580026614E-05 1.5355845106E-05 1.5134889123E-05 1.4917112275E-05
1.4702468839E-05 1.4490913748E-05 1.4282402585E-05 1.4076891569E-05
1.3874337549E-05 1.3674697994E-05 1.3477930985E-05 1.3283995204E-05
1.3092849927E-05 1.2904455016E-05 1.2718770910E-05 1.2535758617E-05
1.2355379703E-05 1.2177596288E-05 1.2002371038E-05 1.1829667153E-05
1.1659448363E-05 1.1491678920E-05 1.1326323589E-05 1.1163347643E-05
1.1002716851E-05 1.0844397477E-05 1.0688356269E-05 1.0534560453E-05
1.0382977726E-05 1.0233576251E-05 1.0086324646E-05 9.9411919828E-06
9.7981477753E-06 9.6571619776E-06 9.5182049754E-06 9.3812475799E-06
9.2462610223E-06 9.1132169473E-06 8.9820874070E-06 8.8528448559E-06
8.7254621443E-06 8.5999125131E-06 8.4761695878E-06 8.3542073733E-06
8.2340002483E-06 8.1155229596E-06 7.9987506176E-06 7.8836586906E-06
7.7702229996E-06 7.6584197134E-06 7.5482253434E-06 7.4396167388E-06
7.3325710818E-06 7.2270658828E-06 7.1230789759E-06 7.0205885137E-06
6.9195729630E-06 6.8200111006E-06 6.7218820082E-06 6.6251650685E-06
6.5298399610E-06 6.4358866573E-06 6.3432854172E-06 6.2520167842E-06
6.1620615819E-06 6.0734009096E-06 5.9860161385E-06 5.8998889080E-06
5.8150011214E-06 5.7313349425E-06 5.6488727915E-06 5.5675973415E-06
</PP_RHOATOM>
</UPF>
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