/usr/share/openmx/DFT_DATA13/VPS/Li_PBE13.vps is in openmx-data 3.7.6-2.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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Input file
***************************************************
#
# File Name
#
System.CurrentDir ./ # default=./
System.Name Li_PBE13
Log.print OFF # ON|OFF
System.UseRestartfile yes # NO|YES, default=NO
System.Restartfile Li_PBE13 # default=null
#
# Calculation type
#
eq.type dirac # sch|sdirac|dirac
calc.type vps # ALL|VPS|PAO
xc.type GGA # LDA|GGA
#
# Atom
#
AtomSpecies 3
max.occupied.N 2
total.electron 3.0
valence.electron 3.0
<occupied.electrons
1 2.0
2 1.0 0.0
occupied.electrons>
#
# parameters for solving 1D-differential equations
#
grid.xmin -7.8 # default=-7.0 rmin(a.u.)=exp(grid.xmin)
grid.xmax 2.8 # default= 2.5 rmax(a.u.)=exp(grid.xmax)
grid.num 10000 # default=4000
grid.num.output 500 # default=2000
#
# SCF
#
scf.maxIter 50 # default=40
scf.Mixing.Type Simple # Simple|GR-Pulay
scf.Init.Mixing.Weight 0.20 # default=0.300
scf.Min.Mixing.Weight 0.001 # default=0.001
scf.Max.Mixing.Weight 0.600 # default=0.800
scf.Mixing.History 7 # default=5
scf.Mixing.StartPulay 4 # default=6
scf.criterion 1.0e-12 # default=1.0e-9
#
# Pseudo potetial, cutoff (A.U.)
#
vps.type MBK # BHS|TM
number.vps 3
<pseudo.NandL
0 1 0 0.60 0.0
1 2 0 1.70 0.0
2 2 1 0.60 0.0
pseudo.NandL>
Blochl.projector.num 3 # default=1 which means KB-form
local.type polynomial # Simple|Polynomial
local.part.vps 0 # default=0
local.cutoff 1.00 # default=smallest_cutoff_vps
local.origin.ratio 2.00 # default=3.0
log.deri.RadF.calc on # ON|OFF
log.deri.MinE -2.3 # default=-3.0 (Hartree)
log.deri.MaxE 2.0 # default= 2.0 (Hartree)
log.deri.num 50 # default=50
<log.deri.R
0 2.9 2.9
1 2.9 2.9
log.deri.R>
ghost.check off # ON|OFF
#
# Core electron density for partial core correction
# pcc.ratio=rho_core/rho_V,
# pcc.ratio.origin = rho_core(orgin)/rho_core(ip)
#
charge.pcc.calc off # ON|OFF
pcc.ratio 0.08 # default=1.0
pcc.ratio.origin 13.0 # default=6.0
#
# Pseudo atomic orbitals
#
maxL.pao 3 # default=2
num.pao 15 # default=7
radial.cutoff.pao 8.0 # default=5.0 (Bohr)
height.of.wall 20000.0 # default=4000.0 (Hartree)
rising.edge 0.2 # default=0.5(Bohr),r1=rc-rising.edge
search.LowerE -3.000 # default=-3.000 (Hartree)
search.UpperE 50.000 # default=20.000 (Hartree)
num.of.partition 2000 # default=300
matching.point.ratio 0.67 # default=0.67
*****************************************************
SCF history in all electron calculations
*****************************************************
*****************************************************
Eigenvalues (Hartree) in the all electron calculation
*****************************************************
j=l+1/2 j=l-1/2
n= 1 l= 0 -1.9053727495931 -1.9053727495931
n= 2 l= 0 -0.1056221657639 -0.1056221657639
*****************************************************
Energies (Hartree) in the all electron calculation
*****************************************************
Eeigen = -3.9163676649501
Ekin = 7.4024444692968
EHart = 4.0318778637350
Exc = -1.7866002755973
Eec = -17.0996592035233
Etot = Ekin + EHart + Exc + Eec
Etot = -7.4519371460888
***********************************************************
** DATA for factorized norm conserving pseudo potentials **
***********************************************************
j.dependent.pseudo.potentials on
<VPS> L=0, dif of log deris for all electrons = 0.1420443852 0.1420443852
<VPS> L=0, dif of log deris for semi local = 0.0617471874 0.0617471874
<VPS> L=1, dif of log deris for all electrons = 2.6381497459 2.6542541563
<VPS> L=1, dif of log deris for semi local = 2.6050845356 2.5846109287
<project.energies
5
0 -1.00000000000000e+00 -1.00000000000000e+00
0 -1.00000000000000e+00 -1.00000000000000e+00
1 -1.00000000000000e+00 -1.00000000000000e+00
1 -1.00000000000000e+00 -1.00000000000000e+00
1 -1.00000000000000e+00 -1.00000000000000e+00
project.energies>
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2.45915230460922e+00 1.16948936294659e+01 -2.56522213455641e-01 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00
2.48039278557114e+00 1.19459556954864e+01 -2.51131016763851e-01 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00
2.50163326653307e+00 1.22024074779927e+01 -2.45853124106680e-01 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00
2.52287374749499e+00 1.24643646816162e+01 -2.40686154230787e-01 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00
2.54411422845691e+00 1.27319454948966e+01 -2.35627775928429e-01 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00
2.56535470941884e+00 1.30052706436056e+01 -2.30675706985680e-01 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00
2.58659519038076e+00 1.32844634452155e+01 -2.25827713152749e-01 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00
2.60783567134269e+00 1.35696498645367e+01 -2.21081607135946e-01 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00
2.62907615230461e+00 1.38609585705502e+01 -2.16435247610824e-01 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00
2.65031663326653e+00 1.41585209944597e+01 -2.11886538256072e-01 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00
2.67155711422846e+00 1.44624713889898e+01 -2.07433426807703e-01 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00
2.69279759519038e+00 1.47729468889580e+01 -2.03073904133123e-01 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00
2.71403807615231e+00 1.50900875731459e+01 -1.98806003324663e-01 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00
2.73527855711423e+00 1.54140365274997e+01 -1.94627798812158e-01 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00
2.75651903807615e+00 1.57449399096869e+01 -1.90537405494173e-01 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00
2.77775951903808e+00 1.60829470150389e+01 -1.86532977888062e-01 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00
2.79900000000000e+00 1.64282103439093e+01 -1.82612709296739e-01 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00
Pseudo.Potentials>
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