/usr/share/openmx/DFT_DATA13/VPS/Si_CA13.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.CurrrentDir ./ # default=./
System.Name Si_CA13
Log.print OFF # ON|OFF
System.UseRestartfile yes # NO|YES, default=NO
System.Restartfile Si_CA13 # default=null
#
# Calculation type
#
eq.type dirac # sch|sdirac|dirac
calc.type vps # ALL|VPS|PAO
xc.type LDA # LDA|GGA
#
# Atom
#
AtomSpecies 14
max.ocupied.N 3
total.electron 14.0
valence.electron 4.0
<ocupied.electrons
1 2.0
2 2.0 6.0
3 2.0 2.0 0.0
ocupied.electrons>
#
# parameters for solving 1D-differential equations
#
grid.xmin -8.0 # default=-7.0 rmin(a.u.)=exp(grid.xmin)
grid.xmax 3.5 # default= 2.5 rmax(a.u.)=exp(grid.xmax)
grid.num 10000 # default=4000
grid.num.output 500 # default=2000
#
# SCF
#
scf.maxIter 40 # default=40
scf.Mixing.Type Simple # Simple|GR-Pulay
scf.Init.Mixing.Weight 0.10 # default=0.300
scf.Min.Mixing.Weight 0.001 # default=0.001
scf.Max.Mixing.Weight 0.500 # 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 6
<pseudo.NandL
0 3 0 1.50 0.0
1 3 1 1.70 0.0
2 3 2 1.80 0.0
3 4 0 2.20 -0.1
4 4 1 2.40 -0.1
5 5 2 2.40 0.1
pseudo.NandL>
Blochl.projector.num 4 # default=1 which means KB-form
local.type polynomial # Simple|Polynomial
local.part.vps 1 # default=0
local.cutoff 1.50 # default=smallest_cutoff_vps
local.origin.ratio 1.50 # default=3.0
log.deri.RadF.calc on # ON|OFF
log.deri.MinE -2.0 # default=-3.0 (Hartree)
log.deri.MaxE 2.0 # default= 2.0 (Hartree)
log.deri.num 70 # default=50
<log.deri.R
0 2.8 2.8
1 2.8 2.8
2 2.8 2.8
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 on # ON|OFF
pcc.ratio 0.1 # default=1.0
pcc.ratio.origin 9.0 # default=6.0
#
# Pseudo atomic orbitals
#
maxL.pao 3 # default=2
num.pao 5 # default=7
radial.cutoff.pao 7.5 # 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 20.000 # default=20.000 (Hartree)
num.of.partition 1200 # default=300
matching.point.ratio 0.67 # default=0.67
*****************************************************
SCF history in all electron calculations
*****************************************************
SCF= 1 Eeigen=-165.7065558976287 (Hartree) NormRD= 0.0875178485593
SCF= 2 Eeigen=-165.6304184471787 (Hartree) NormRD= 0.0686037694942
SCF= 3 Eeigen=-165.6115456510279 (Hartree) NormRD= 0.0678553653312
SCF= 4 Eeigen=-163.8982191991891 (Hartree) NormRD= 0.0179575229228
SCF= 5 Eeigen=-163.2563824595541 (Hartree) NormRD= 0.0040839232119
SCF= 6 Eeigen=-163.1325787182668 (Hartree) NormRD= 0.0009816725015
SCF= 7 Eeigen=-163.0983289258258 (Hartree) NormRD= 0.0002380440966
SCF= 8 Eeigen=-163.0838105372066 (Hartree) NormRD= 0.0000575528226
SCF= 9 Eeigen=-163.0764300927734 (Hartree) NormRD= 0.0000138434118
SCF= 10 Eeigen=-163.0725312256100 (Hartree) NormRD= 0.0000033200141
SCF= 11 Eeigen=-163.0704694811990 (Hartree) NormRD= 0.0000007959483
SCF= 12 Eeigen=-163.0693850392444 (Hartree) NormRD= 0.0000001911085
SCF= 13 Eeigen=-163.0688177696571 (Hartree) NormRD= 0.0000000460048
SCF= 14 Eeigen=-163.0685224263088 (Hartree) NormRD= 0.0000000111099
SCF= 15 Eeigen=-163.0683692457472 (Hartree) NormRD= 0.0000000026923
SCF= 16 Eeigen=-163.0682900309465 (Hartree) NormRD= 0.0000000006548
SCF= 17 Eeigen=-163.0682491502488 (Hartree) NormRD= 0.0000000001598
SCF= 18 Eeigen=-163.0682353535013 (Hartree) NormRD= 0.0000000000716
SCF= 19 Eeigen=-163.0682338488222 (Hartree) NormRD= 0.0000000000642
SCF= 20 Eeigen=-163.0682337465907 (Hartree) NormRD= 0.0000000000637
SCF= 21 Eeigen=-163.0682337193936 (Hartree) NormRD= 0.0000000000636
SCF= 22 Eeigen=-163.0682336922225 (Hartree) NormRD= 0.0000000000635
SCF= 23 Eeigen=-163.0682336650781 (Hartree) NormRD= 0.0000000000634
SCF= 24 Eeigen=-163.0682336379598 (Hartree) NormRD= 0.0000000000632
SCF= 25 Eeigen=-163.0682336108678 (Hartree) NormRD= 0.0000000000631
SCF= 26 Eeigen=-163.0682335838021 (Hartree) NormRD= 0.0000000000630
SCF= 27 Eeigen=-163.0682335567627 (Hartree) NormRD= 0.0000000000628
SCF= 28 Eeigen=-163.0682335297494 (Hartree) NormRD= 0.0000000000627
SCF= 29 Eeigen=-163.0682335027624 (Hartree) NormRD= 0.0000000000626
SCF= 30 Eeigen=-163.0682334758012 (Hartree) NormRD= 0.0000000000625
SCF= 31 Eeigen=-163.0682334488669 (Hartree) NormRD= 0.0000000000623
SCF= 32 Eeigen=-163.0682334219579 (Hartree) NormRD= 0.0000000000622
SCF= 33 Eeigen=-163.0682333950757 (Hartree) NormRD= 0.0000000000621
SCF= 34 Eeigen=-163.0682333682192 (Hartree) NormRD= 0.0000000000620
SCF= 35 Eeigen=-163.0682333413893 (Hartree) NormRD= 0.0000000000618
SCF= 36 Eeigen=-163.0682333145847 (Hartree) NormRD= 0.0000000000617
SCF= 37 Eeigen=-163.0682332878065 (Hartree) NormRD= 0.0000000000616
SCF= 38 Eeigen=-163.0682332610535 (Hartree) NormRD= 0.0000000000615
SCF= 39 Eeigen=-163.0682332343270 (Hartree) NormRD= 0.0000000000613
SCF= 40 Eeigen=-163.0682332076273 (Hartree) NormRD= 0.0000000000000
*****************************************************
Eigenvalues (Hartree) in the all electron calculation
*****************************************************
j=l+1/2 j=l-1/2
n= 1 l= 0 -65.3411228203763 -65.3411228203763
n= 2 l= 0 -5.0958715797111 -5.0958715797111
n= 2 l= 1 -3.5028093510019 -3.5265550933615
n= 3 l= 0 -0.3997973864642 -0.3997973864642
n= 3 l= 1 -0.1526779101876 -0.1538783912461
*****************************************************
Energies (Hartree) in the all electron calculation
*****************************************************
Eeigen = -163.0682332076273
Ekin = 289.4127000626989
EHart = 132.0665338475985
Exc = -19.6028320487724
Eec = -690.7115642243776
Etot = Ekin + EHart + Exc + Eec
Etot = -288.8351623628527
***********************************************************
** DATA for factorized norm conserving pseudo potentials **
***********************************************************
j.dependent.pseudo.potentials on
<VPS> L=0, dif of log deris for all electrons = 0.1294274701 0.1294274701
<VPS> L=0, dif of log deris for semi local = 0.3164484305 0.3164484305
<VPS> L=1, dif of log deris for all electrons = 0.0198085093 0.0010217650
<VPS> L=1, dif of log deris for semi local = 3.0940853295 1.5756967046
<VPS> L=2, dif of log deris for all electrons = 9.9622079282 9.7498614169
<VPS> L=2, dif of log deris for semi local = 3.5113181779 3.4135625149
<project.energies
6
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
2 -1.00000000000000e+00 -1.00000000000000e+00
2 1.00000000000000e+00 1.00000000000000e+00
project.energies>
<Pseudo.Potentials
-8.00000000000000e+00 3.35462627902512e-04 -4.00169877685929e+00 -6.34161818581428e+00 -6.34161818581428e+00 2.33302927323647e+00 2.33302927323647e+00 -5.17832736366086e-03 -5.12504995790598e-03 3.37438657550862e-04 3.55247502580264e-04 1.37501665659732e-06 1.37602009061825e-06 -4.15439013381156e-06 -4.19955447463000e-06
-7.97695591182365e+00 3.43282816780958e-04 -4.00169877685929e+00 -6.34161716436468e+00 -6.34161716436468e+00 2.33302923753667e+00 2.33302923753667e+00 -5.29904218314875e-03 -5.24452280216573e-03 3.45304904942598e-04 3.63528903572759e-04 1.43987170136490e-06 1.44092246405906e-06 -4.35033883455302e-06 -4.39763342592931e-06
-7.95391182364729e+00 3.51285307200643e-04 -4.00169877685929e+00 -6.34161609474352e+00 -6.34161609474352e+00 2.33302920015818e+00 2.33302920015818e+00 -5.42257102480209e-03 -5.36678071675532e-03 3.53354527150322e-04 3.72003357295652e-04 1.50778574620366e-06 1.50888606990646e-06 -4.55552976356646e-06 -4.60505508206784e-06
-7.93086773547094e+00 3.59474348912110e-04 -4.00169877685929e+00 -6.34161497467857e+00 -6.34161497467857e+00 2.33302916102169e+00 2.33302916102169e+00 -5.54897948527030e-03 -5.49188862345647e-03 3.61591798913863e-04 3.80675364096681e-04 1.57890307407440e-06 1.58005529641286e-06 -4.77039884340736e-06 -4.82226010471370e-06
-7.90782364729459e+00 3.67854290734620e-04 -4.00169877685929e+00 -6.34161380179040e+00 -6.34161380179040e+00 2.33302912004420e+00 2.33302912004420e+00 -5.67833469016428e-03 -5.61991295728328e-03 3.70021094622117e-04 3.89549529232076e-04 1.65337477328474e-06 1.65458134214378e-06 -4.99540255736491e-06 -5.04970993979334e-06
-7.88477955911824e+00 3.76429582865604e-04 -4.00169877685929e+00 -6.34161257358743e+00 -6.34161257358743e+00 2.33302907713871e+00 2.33302907713871e+00 -5.81070532968439e-03 -5.75092170174414e-03 3.78646890636244e-04 3.98630565312006e-04 1.73135905847438e-06 1.73262253719711e-06 -5.23101891921444e-06 -5.28788779778660e-06
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Pseudo.Potentials>
***********************************************************
** Core electron densities for PCC **
***********************************************************
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3.19942685370741e+00 2.45184734970367e+01 3.40786274515715e-20
3.22247094188377e+00 2.50900396800028e+01 1.71877823339840e-20
3.24551503006012e+00 2.56749300163485e+01 8.54303121330499e-21
3.26855911823647e+00 2.62734551141340e+01 4.18319038449320e-21
3.29160320641282e+00 2.68859328222071e+01 2.01721570339857e-21
3.31464729458918e+00 2.75126883989982e+01 9.57608587105733e-22
3.33769138276553e+00 2.81540546852497e+01 4.47355392535782e-22
3.36073547094188e+00 2.88103722807726e+01 2.05579507961702e-22
3.38377955911824e+00 2.94819897253228e+01 9.28961236162070e-23
3.40682364729459e+00 3.01692636836948e+01 4.12597407838830e-23
3.42986773547094e+00 3.08725591351295e+01 1.80042242033239e-23
3.45291182364729e+00 3.15922495671375e+01 7.71480124632104e-24
3.47595591182365e+00 3.23287171738416e+01 3.24419887308331e-24
3.49900000000000e+00 3.30823530589417e+01 1.33762370723523e-24
density.PCC>
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