<?xml version="1.0" encoding="UTF-8"?>
<fpmd:species xmlns:fpmd="http://www.quantum-simulation.org/ns/fpmd/fpmd-1.0"
  xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
  xsi:schemaLocation="http://www.quantum-simulation.org/ns/fpmd/fpmd-1.0
  species.xsd">
<description>


 This pseudopotential file has been produced using the code
 ONCVPSP  (Optimized Norm-Conservinng Vanderbilt PSeudopotential)
 scalar-relativistic version 2.1.1, 03/26/2014 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.


 Copyright 2015 The Regents of the University of California
 
 This work is licensed under the Creative Commons Attribution-ShareAlike 
 4.0 International License. To view a copy of this license, visit 
 http://creativecommons.org/licenses/by-sa/4.0/ or send a letter to 
 Creative Commons, PO Box 1866, Mountain View, CA 94042, USA.
 
 This pseudopotential is part of the Schlipf-Gygi norm-conserving 
 pseudopotential library. Its construction parameters were tuned to 
 reproduce materials of a training set with very high accuracy and 
 should be suitable as a general purpose pseudopotential to treat a 
 variety of different compounds. For details of the construction and 
 testing of the pseudopotential please refer to:
 
 M. Schlipf, F. Gygi, Comp. Phys. Comm. 196, 36 (2015)
 http://dx.doi.org/10.1016/j.cpc.2015.05.011
 
 We kindly ask that you include this reference in all publications 
 associated to this pseudopotential.


Input file for PP generation:

# ATOM AND REFERENCE CONFIGURATION
# atsym  z    nc    nv    iexc   psfile
  He  2.00     0     1     4      fpmd
#
#   n    l    f        energy (Ha)
    1    0    2.00
#
# PSEUDOPOTENTIAL AND OPTIMIZATION
# lmax
    0
#
#   l,   rc,     ep,   ncon, nbas, qcut
    0   1.99006  -0.57931    5    8   7.17231
#
# LOCAL POTENTIAL
# lloc, lpopt,  rc(5),   dvloc0
    4    5   0.89489      0.00000
#
# VANDERBILT-KLEINMAN-BYLANDER PROJECTORs
# l, nproj, debl
    0    2   1.34022
#
# MODEL CORE CHARGE
# icmod, fcfact
    0   0.00000
#
# LOG DERIVATIVE ANALYSIS
# epsh1, epsh2, depsh
   -5.00    3.00    0.02
#
# OUTPUT GRID
# rlmax, drl
    6.00    0.01
#
# TEST CONFIGURATIONS
# ncnf
    0
# nvcnf
#   n    l    f
</description>
<symbol>He</symbol>
<atomic_number>  2</atomic_number>
<mass>     4.00260019</mass>
<norm_conserving_semilocal_pseudopotential>
<valence_charge>     2</valence_charge>
<mesh_spacing>    0.0100</mesh_spacing>
<local_potential size=" 602">
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   -3.3333363915E-01   -3.3277900634E-01
</local_potential>
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</projector>
<d_ij l="0" i="1" j="1">   -0.1828526926E+01</d_ij>
<d_ij l="0" i="1" j="2">    0.0000000000E+00</d_ij>
<d_ij l="0" i="2" j="1">    0.0000000000E+00</d_ij>
<d_ij l="0" i="2" j="2">   -0.6945021524E+00</d_ij>
</norm_conserving_semilocal_pseudopotential>
</fpmd:species>
