1<UPF version="2.0.1"><PP_INFO>This pseudopotential file has been produced using the code
2ONCVPSP (Optimized Norm-Conservinng Vanderbilt PSeudopotential)
3scalar-relativistic version 3.3.0 08/16/2017 by D. R. Hamann
4The code is available through a link at URL www.mat-simresearch.com.
5Documentation with the package provides a full discription of the
6input data below.
7While it is not required under the terms of the GNU GPL, it is
8suggested that you cite D. R. Hamann, Phys. Rev. B 88, 085117 (2013)
9in any publication using these pseudopotentials.<PP_INPUTFILE>
10# ATOM AND REFERENCE CONFIGURATION
11# atsym z nc nv iexc psfile
12Sb 51.00 8 3 -116133 upf
13#
14# n l f energy (Ha)
151 0 2.00
162 0 2.00
172 1 6.00
183 0 2.00
193 1 6.00
203 2 10.00
214 0 2.00
224 1 6.00
234 2 10.00
245 0 2.00
255 1 3.00
26#
27# PSEUDOPOTENTIAL AND OPTIMIZATION
28# lmax
292
30#
31# l, rc, ep, ncon, nbas, qcut
320 1.80000 -0.47320 4 7 3.20000
331 2.10000 -0.17803 4 7 4.60000
342 1.80000 -1.22926 4 7 9.20000
35#
36# LOCAL POTENTIAL
37# lloc, lpopt, rc(5), dvloc0
384 5 1.60000 0.00000
39#
40# VANDERBILT-KLEINMAN-BYLANDER PROJECTORs
41# l, nproj, debl
420 2 4.50000
431 2 3.00000
442 2 1.60000
45#
46# MODEL CORE CHARGE
47# icmod, fcfact, rcfact
483 5.00000 1.41000
49#
50# LOG DERIVATIVE ANALYSIS
51# epsh1, epsh2, depsh
52-12.00 12.00 0.02
53#
54# OUTPUT GRID
55# rlmax, drl
566.00 0.01
57#
58# TEST CONFIGURATIONS
59# ncnf
600
61# nvcnf
62# n l f</PP_INPUTFILE></PP_INFO><PP_HEADER generated="Generated using ONCVPSP code by D. R. Hamann" author="anonymous" date="180301" comment="" element="Sb" 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="PBESOL" z_valence="   15.00" total_psenergy="  -1.60342599755E+02" rho_cutoff="   1.43300000000E+01" l_max="2" l_local="-1" mesh_size="  1434" number_of_wfc="3" number_of_proj="6"/><PP_MESH><PP_R type="real" size="1434" columns="8">
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