***************************************************
                    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
-7.86173547094188e+00 3.85204779243959e-04  -4.00169877685929e+00   -6.34161128746046e+00 -6.34161128746046e+00  2.33302903221422e+00 2.33302903221422e+00  -5.94616169507789e-03 -5.88498442492400e-03  3.87473767665788e-04 4.07923294802574e-04  1.81302160673957e-06 1.81434467957321e-06  -5.47774848870741e-06 -5.53729968025635e-06
-7.83869138276553e+00 3.94184539968434e-04  -4.00169877685929e+00   -6.34160994067730e+00 -6.34160994067730e+00  2.33302898517538e+00 2.33302898517538e+00  -6.08477571594519e-03 -6.02217231640700e-03  3.96506413201691e-04 4.17432652587124e-04  1.89853590961188e-06 1.89992138741031e-06  -5.73611543495510e-06 -5.79847545479289e-06
-7.81564729458918e+00 4.03373633772387e-04  -4.00169877685929e+00   -6.34160853037688e+00 -6.34160853037688e+00  2.33302893592236e+00 2.33302893592236e+00  -6.22662099841442e-03 -6.16255822505855e-03  4.05749624005487e-04 4.27163688586165e-04  1.98808364163830e-06 1.98953446783355e-06  -6.00666864996534e-06 -6.07196998065610e-06
-7.79260320641283e+00 4.12776940556241e-04  -4.00169877685929e+00   -6.34160705356319e+00 -6.34160705356319e+00  2.33302888435062e+00 2.33302888435062e+00  -6.37177286420479e-03 -6.30621669768688e-03  4.15208308655739e-04 4.37121570439280e-04  2.08185504634592e-06 2.08337430320154e-06  -6.28998291469738e-06 -6.35836428750711e-06
-7.76955911823647e+00 4.22399453978973e-04  -4.00169877685929e+00   -6.34160550709890e+00 -6.34160550709890e+00  2.33302883035071e+00 2.33302883035071e+00  -6.52030839059916e-03 -6.45322401860446e-03  4.24887490154845e-04 4.47311586248886e-04  2.18004934041128e-06 2.18164025557040e-06  -6.58666012011137e-06 -6.65826680973215e-06
-7.74651503006012e+00 4.32246284110013e-04  -4.00169877685929e+00   -6.34160388769872e+00 -6.34160388769872e+00  2.33302877380799e+00 2.33302877380799e+00  -6.67230645134691e-03 -6.60365825011036e-03  4.34792308596293e-04 4.57739147388215e-04  2.28287513689282e-06 2.28454109023522e-06  -6.89733054580629e-06 -6.97231467898099e-06
-7.72347094188377e+00 4.42322660142962e-04  -4.00169877685929e+00   -6.34160219192240e+00 -6.34160219192240e+00  2.33302871460241e+00 2.33302871460241e+00  -6.82784775851870e-03 -6.75759927391461e-03  4.44928023893762e-04 4.68409791374883e-04  2.39055088842581e-06 2.39229541924825e-06  -7.22265419896179e-06 -7.30117507766509e-06
-7.70042685370742e+00 4.52633933172576e-04  -4.00169877685929e+00   -6.34160041616743e+00 -6.34160041616743e+00  2.33302865260832e+00 2.33302865260832e+00  -6.98701490533526e-03 -6.91512883352663e-03  4.55300018574202e-04 4.79329184810899e-04  2.50330535132081e-06 2.50513216585624e-06  -7.56332221642823e-06 -7.64554665629005e-06
-7.67738276553106e+00 4.63185579036485e-04  -4.00169877685929e+00   -6.34159855666139e+00 -6.34159855666139e+00  2.33302858769409e+00 2.33302858769409e+00  -7.14989240999296e-03 -7.07633057762982e-03  4.65913800635723e-04 4.90503126392064e-04  2.62137807155245e-06 2.62329105084375e-06  -7.92005833294259e-06 -8.00616101763306e-06
-7.65433867735471e+00 4.73983201223153e-04  -4.00169877685929e+00   -6.34159660945396e+00 -6.34159660945396e+00  2.33302851972188e+00 2.33302851972188e+00  -7.31656676050867e-03 -7.24129010446578e-03  4.76775006472579e-04 5.01937549986280e-04  2.74501989367006e-06 2.74702310181506e-06  -8.29362041858830e-06 -8.38378427091707e-06
-7.63129458917836e+00 4.85032533847629e-04  -4.00169877685929e+00   -6.34159457040845e+00 -6.34159457040845e+00  2.33302844854741e+00 2.33302844854741e+00  -7.48712646060826e-03 -7.41009500725067e-03  4.87889403867377e-04 5.13638527785046e-04  2.87449349371191e-06 2.87659118649749e-06  -8.68480208876526e-06 -8.77921865928325e-06
-7.60825050100200e+00 4.96339444696673e-04  -4.00169877685929e+00   -6.34159243519310e+00 -6.34159243519310e+00  2.33302837401953e+00 2.33302837401953e+00  -7.66166207668246e-03 -7.58283492064838e-03  4.99262895054181e-04 5.25612273527212e-04  3.01007393725503e-06 3.01227057119822e-06  -9.09443439008844e-06 -9.19330426401749e-06
-7.58520641282565e+00 5.07909938344863e-04  -4.00169877685929e+00   -6.34159019927184e+00 -6.34159019927184e+00  2.33302829597997e+00 2.33302829597997e+00  -7.84026628583511e-03 -7.75960156832466e-03  5.10901519851982e-04 5.37865145798234e-04  3.15204926378601e-06 3.15434950560181e-06  -9.52338756579619e-06 -9.62692078915128e-06
-7.56216232464930e+00 5.19750159343344e-04  -4.00169877685929e+00   -6.34158785789464e+00 -6.34158785789464e+00  2.33302821426307e+00 2.33302821426307e+00  -8.02303392504846e-03 -7.94048881160711e-03  5.22811458871839e-04 5.50403651406623e-04  3.30072109863449e-06 3.30312983514994e-06  -9.97257290441738e-06 -1.00809894302259e-05
-7.53911823647295e+00 5.31866395482914e-04  -4.00169877685930e+00   -6.34158540608743e+00 -6.34158540608743e+00  2.33302812869524e+00 2.33302812869524e+00  -8.21006204149240e-03 -8.12559269927709e-03  5.34999036798555e-04 5.63234448838862e-04  3.45640529376904e-06 3.45892764230506e-06  -1.04429446756234e-05 -1.05564748311901e-05
-7.51607414829659e+00 5.44265081133178e-04  -4.00169877685930e+00   -6.34158283864157e+00 -6.34158283864157e+00  2.33302803909484e+00 2.33302803909484e+00  -8.40144994400312e-03 -8.31501151851906e-03  5.47470725748887e-04 5.76364351794470e-04  3.61943259881712e-06 3.62207391806007e-06  -1.09355021573768e-05 -1.10543871335860e-05
-7.49303006012024e+00 5.56952800659543e-04  -4.00169877685930e+00   -6.34158015010273e+00 -6.34158015010273e+00  2.33302794527153e+00 2.33302794527153e+00  -8.59729925575890e-03 -8.50884584705501e-03  5.60233148707297e-04 5.89800332803889e-04  3.79014936373434e-06 3.79291526512010e-06  -1.14512917586805e-05 -1.15757841223759e-05
-7.46998597194389e+00 5.69936291919866e-04  -4.00169877685930e+00   -6.34157733475930e+00 -6.34157733475930e+00  2.33302784702611e+00 2.33302784702611e+00  -8.79771396818014e-03 -8.70719860649040e-03  5.73293083043402e-04 6.03549526930889e-04  3.96891827461568e-06 3.97181463425097e-06  -1.19914092424367e-05 -1.21217734729660e-05
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3.19942685370741e+00 2.45184734970367e+01  -1.63142293541009e-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  0.00000000000000e+00 0.00000000000000e+00
3.22247094188377e+00 2.50900396800028e+01  -1.59425814048770e-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  0.00000000000000e+00 0.00000000000000e+00
3.24551503006012e+00 2.56749300163485e+01  -1.55793998192168e-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  0.00000000000000e+00 0.00000000000000e+00
3.26855911823647e+00 2.62734551141340e+01  -1.52244917282601e-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  0.00000000000000e+00 0.00000000000000e+00
3.29160320641282e+00 2.68859328222071e+01  -1.48776686568161e-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  0.00000000000000e+00 0.00000000000000e+00
3.31464729458918e+00 2.75126883989982e+01  -1.45387464232729e-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  0.00000000000000e+00 0.00000000000000e+00
3.33769138276553e+00 2.81540546852497e+01  -1.42075450417870e-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  0.00000000000000e+00 0.00000000000000e+00
3.36073547094188e+00 2.88103722807726e+01  -1.38838886267014e-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  0.00000000000000e+00 0.00000000000000e+00
3.38377955911824e+00 2.94819897253228e+01  -1.35676052991407e-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  0.00000000000000e+00 0.00000000000000e+00
3.40682364729459e+00 3.01692636836948e+01  -1.32585270957342e-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  0.00000000000000e+00 0.00000000000000e+00
3.42986773547094e+00 3.08725591351295e+01  -1.29564898794730e-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  0.00000000000000e+00 0.00000000000000e+00
3.45291182364729e+00 3.15922495671375e+01  -1.26613332526576e-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  0.00000000000000e+00 0.00000000000000e+00
3.47595591182365e+00 3.23287171738416e+01  -1.23729004713335e-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  0.00000000000000e+00 0.00000000000000e+00
3.49900000000000e+00 3.30823530589417e+01  -1.20910383614262e-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  0.00000000000000e+00 0.00000000000000e+00
Pseudo.Potentials>


***********************************************************
**            Core electron densities for PCC            **
***********************************************************
<density.PCC
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-7.97695591182365e+00 3.43282816780958e-04  4.66978198955693e-02
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3.06116232464930e+00 2.13523611197589e+01  1.55094857479262e-18
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3.10725050100200e+00 2.23594824326999e+01  4.58019363708494e-19
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3.17638276553106e+00 2.39599279352285e+01  6.66106514506568e-20
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>